Dissertations / Theses on the topic 'Partial interaction mechanics'
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Philipowski, Robert. "Stochastic interacting particle systems and nonlinear partial differential equations from fluid mechanics." [S.l.] : [s.n.], 2007. http://deposit.ddb.de/cgi-bin/dokserv?idn=986005622.
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Stamm, Matthew T. "Particle Dynamics and Particle-Cell Interaction in Microfluidic Systems." Diss., The University of Arizona, 2013. http://hdl.handle.net/10150/308886.
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Particle-laden flow in a microchannel resulting in aggregation of microparticles was investigated to determine the dependence of the cluster growth rate on the following parameters: suspension void fraction, shear strain rate, and channel-height to particle-diameter ratio. The growth rate of an average cluster was found to increase linearly with suspension void fraction, and to obey a power-law relationships with shear strain rate as S^0.9 and channel-height to particle-diameter ratio as (h/d)^-3.5. Ceramic liposomal nanoparticles and silica microparticles were functionalized with antibodies that act as targeting ligands. The bio-functionality and physical integrity of the cerasomes were characterized. Surface functionalization allows cerasomes to deliver drugs with selectivity and specificity that is not possible using standard liposomes. The functionalized particle-target cell binding process was characterized using BT-20 breast cancer cells. Two microfluidic systems were used; one with both species in suspension, the other with cells immobilized inside a microchannel and particle suspension as the mobile phase. Effects of incubation time, particle concentration, and shear strain rate on particle-cell binding were investigated. With both species in suspension, the particle-cell binding process was found to be reasonably well-described by a first-order model. Particle desorption and cellular loss of binding affinity in time were found to be negligible; cell-particle-cell interaction was identified as the limiting mechanism in particle-cell binding. Findings suggest that separation of a bound particle from a cell may be detrimental to cellular binding affinity. Cell-particle-cell interactions were prevented by immobilizing cells inside a microchannel. The initial stage of particle-cell binding was investigated and was again found to be reasonably well-described by a first-order model. For both systems, the time constant was found to be inversely proportional to particle concentration. The second system revealed the time constant to obey a power-law relationship with shear strain rate as τ∝S^.37±.06. Under appropriate scaling, the behavior displayed in both systems is well-described by the same exponential curve. Identification of the appropriate scaling parameters allows for extrapolation and requires only two empirical values. This could provide a major head-start in any dosage optimization studies.
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Zhang, Yonghao. "Particle-gas interactions in two-fluid models of gas-solid flows." Thesis, University of Aberdeen, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.367375.
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Modelling gas-solid two-phase flows using a two-fluid approach has two main difficulties: formulating constitutive laws for the particulate stresses and modelling the gas turbulence modulation. Due to the complex nature of the gas-particle interactions, there is no universal model covering every flow regime. In this thesis, three flow regimes with distinctive characteristics are studied, i.e. the very dense regime where the solid volume fraction, v2>5%, the dense flow regime where 5%≥1%, and the relatively dilute regime where 1%≥v2>0.1%. In the very dense flow regime, where the interstitial gas is normally neglected, the gas flow is assumed laminar and causes a viscous energy dissipation in the particulate phase. Numerical results for granular materials flowing down an inclined chute show that the interstitial gas may have a considerable effect in these flows. In the dense regime, where the inter-particle collisions are very important, a fluctuational energy transfer rate between the two phases is postulated, similar to that in a dilute Stokes flow. Consequently, the numerical solutions relax the restriction of elastic inter-particle collisions and show good agreement with experimental measurements. In the above two regimes, the kinetic theory of dry granular flow is adopted for the particulate stresses because the inter-particle collisions dominate the flows. The interstitial gas influence on the constitutive flow behaviour of the particulate phase is considered in the relatively dilute flow regime also, and a k-equation with a prescribed turbulent length scale is first used to address the gas turbulence modulation. Numerical results show that the gas turbulence has a significant effect on the microscopic flow behaviour of the particulate phase. The k-equation of Crowe & Gillandt (1998) has the best performance in predicting the experimentally observed phenomena. Finally, the influence of the particles on the k-Ε model coefficients are studied and the turbulent motion is considered to be restricted by the particles, thereby reducing the turbulent length scale directly. The simulation results indicate that these coefficients should be modified in order to incorporate the effect of particles.
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Calabretta, Jacob S. "A Three Dimensional Vortex Particle-Panel Code For Modeling Propeller-Airframe Interaction." DigitalCommons@CalPoly, 2010. https://digitalcommons.calpoly.edu/theses/336.
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Analysis of the aerodynamic effects of a propeller flowfield on bodies downstream of the propeller is a complex task. These interaction effects can have serious repercussions for many aspects of the vehicle, including drag changes resulting in larger power requirements, stability changes resulting in adjustments to stabilizer sizing, and lift changes requiring wing planform adjustments.
Historically it has been difficult to accurately account for these effects at any stage during the design process. More recently methods using Euler solvers have been developed that capture interference effects well, although they don't provide an ideal tool for early stages of aircraft design, due to computational cost and the time and expense of setting up complex volume grids. This research proposes a method to fill the void of an interference model useful to the aircraft conceptual and preliminary designer.
The proposed method combines a flexible and adaptable tool already familiar to the conceptual designer in the aerodynamic panel code, with a pseudo-steady slipstream model wherein rotational effects are discretized onto vortex particle point elements. The method maintains a freedom from volume grids that are so often necessary in the existing interference models. In addition to the lack of a volume grid, the relative computational simplicity allows the aircraft designer the freedom to rapidly test radically different configurations, including more unconventional designs like the channel wing, thereby providing a much broader design space than otherwise possible.
Throughout the course of the research, verification and validation studies were conducted to ensure the most accurate model possible was being applied. Once the vortex particle scheme had been verified, and the ability to model an actuator disk with vortex particles had been validated, the overall product was compared against propeller-wing wind tunnel results conducted specifically as benchmarks for numerical methods.
The method discussed in this work provides a glimpse into the possibility of pseudo-steady interference modeling using vortex particles. A great groundwork has been laid that already provides reasonable results, and many areas of interest have been discovered where future work could improve the method further. The current state of the method is demonstrated through simulations of several configurations including a wing and nacelle and a channel wing.
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Crowe, Adam. "Inclined Negatively Buoyant Jets and Boundary Interaction." Thesis, University of Canterbury. Civil and Natural Resources Engineering, 2013. http://hdl.handle.net/10092/7895.
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Inclined negatively buoyant jets are commonly used to dispose brine effluent produced by desalination plants. Desalination and associated research has expanded in recent years due to the continued depletion and degradation of natural potable water sources. Desalination plants are the preferred option for meeting water demand deficits in many countries around the world. Inclined negatively buoyant jets are produced when the brine is discharged at an upward inclined angle via an offshore pipeline and diffuser system. Previous experimental studies have focused on the rapid mixing and dilution achieved by these discharges, as well as geometric parameters. Dilution measurements between these experimental studies vary significantly, which is possibly due to variations in the location of a lower boundary on observed flow behaviour. In the present study, velocity field information is experimentally measured for inclined negatively buoyant jets and compared to integral model predictions. Experiments are conducted with and without a lower boundary influencing observed flow behaviour, thus allowing the effects of a lower boundary to be determined.
The particle tracking velocimetry experimental technique is employed to measure near field velocities of these discharges. Firstly, discharges with source angles between 15\degree and 75\degree are investigated without boundary influence in stationary ambient conditions. The source was a minimum of 655 mm above the bottom of the experimental tank to ensure there was no lower boundary influence on observed behaviour. Time-averaged and fluctuating data are extracted along the trajectory of discharges. All non-dimensionalised geometric and centreline velocity parameters are found to collapse. Empirical coefficients are compared to previous experimental studies and integral model predictions.
A new detrainment model is developed to predict the behaviour of inclined negatively buoyant jets without boundary influence. The model further develops recent attempts to allow for buoyancy flux reduction along the flow path. The reduction in buoyancy flux is dependent on the local parameters of the flow and simulates experimentally observed detrainment. Dilution, geometric, and velocity predictions are found to be improved over previous models when compared to experimental data.
Finally, a raised platform was placed inside the experimental tank to determine the influence of a lower boundary on inclined negatively buoyant jets. Source angles of 30\degree, 45\degree, and 60\degree are investigated at three different non-dimensional source heights. The lower boundary is horizontal and ambient conditions are again stationary. Discharges impinge the lower boundary before forming a radially spreading layer along the boundary. Geometric and velocity data are compared to the first set of experiments in this study to determine the influence of the lower boundary on observed flow behaviour. Empirical coefficients at maximum height are similar with and without the influence of the boundary, whereas coefficients are substantially influenced at the return point when the boundary is present.
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Van, Wyk Geritza. "Simulation of tribological interactions in bonded particle-solid contacts." Thesis, Stellenbosch : Stellenbosch University, 2012. http://hdl.handle.net/10019.1/71941.
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Thesis (MScEng)--Stellenbosch University, 2012.ENGLISH ABSTRACT: In this study, tool forces from rock cutting tests were numerically simulated through a discrete element method (DEM) in association with PFC3D™. Tribological interactions such as contact, shearing, fracturing, friction and wear were presented during these cutting simulations. Particle assemblies, representing Paarl granite and Sandstone-2, were created in PFC3D™ through a material-genesis procedure. The macro-properties of these particle assemblies, namely Young’s modulus, Poisson’s ratio, uniaxial and triaxial compressive strength and Brazilian tensile strength, were calibrated by modelling the uniaxial and triaxial compressive strength test and the Brazilian tensile strength test. The calibration was done through adjustment of the micro-properties of the assembly, namely the stiffness and strength parameters of the particles and bonds. The influence of particle size on the calibration was also investigated. These assemblies were used in the rock cutting tests. Results suggested that DEM can reproduce the damage formation during calibration tests successfully. From the results obtained from the calibration tests, it was also concluded that particle size is not a free parameter but influences the macro-properties greatly. Different rock cutting tools were simulated, namely point-attack (conical) picks, chisel-shaped tools and button-shaped tools. The numerical cutting tools were treated as rigid walls to simplify the simulation and the tool forces were not influenced by wear. In each simulation the cutting tools advanced at a constant velocity. The tool forces acting on the cutting tool, in three orthogonal directions, were recorded during the numerical simulations and the peak cutting forces were predicted by theoretical equations. The damage to the Paarl granite and Sandstone-2 assemblies was revealed as broken bonds, which merge into microscopic fractures. The mean peak cutting forces of sharp cutting tools obtained from numerical, theoretical and experimental models (from the literature) were compared. Finally the influence of factors, including wear on the tool and depth of cut, on the value of tool forces was also investigated. The results from the rock cutting tests revealed that the correlation between the numerical and the experimental models as well as the theoretical and experimental models was not strong when using sharp point-attack and chisel-shaped picks. It was concluded that the influence of wear plays a substantial part in the cutting process and it has to be included during the numerical simulation for the results to be accurate and verifiable. This study also found that there is a non-linear increase in tool forces with an increase in depth of cut, since the contact area increases. At larger cutting depths, chip formation also generally increased and therefore damage to the sample as well as wear on the cutting tool will be minimized at shallow cutting depths. Overall this study concludes that DEM are capable of simulating calibration methods and rock cutting processes with different cutting tools and producing results which are verifiable with experimental data. Therefore numerical prediction of tool forces will allow the design of efficient cutting systems and the operational parameters as well as the performance prediction of excavation machines.
AFRIKAANSE OPSOMMING: In hierdie studie is die kragte wat tydens rotssny-toetse op die sny gereedskap inwerk, numeries gesimuleer met behulp van ‘n diskrete element metode (DEM) in samewerking met PFC3D™. Tribologiese interaksies soos kontak, skeer, breking, wrywing en slytasie is gedurende hiersie snytoetse voorgestel. Partikel versamelings, wat Paarl graniet en Sandsteen-2 verteenwoordig, is in PFC3D™ geskep deur middel van ‘n materiaal-skeppings prosedure. Die makro-eienskappe van die partikel versamelings, naamlik Young se modulus, Poisson se verhouding, eenassige en drie-assige druksterkte en Brasiliaanse treksterkte, is gekalibreer deur modellering van die eenassige en drie-assige druksterkte toets en die Brasiliaanse treksterkte toets. Die kalibrasie is gedoen deur aanpassing van die mikro-eienskappe, naamlik die styfheid en die sterkte parameters van die partikels en bindings. Die invloed van partikelgrootte is ook ondersoek. Daarna is hierdie versamelings in die rotssny-toetse gebruik. Resultate het daarop gedui dat DEM die kraakvorming gedurende kalibrasie toetse suksesvol kan reproduseer. Vanuit die kalibrasie is ook gevind dat die partikelgrootte nie ‘n vrye parameter is nie, maar die makro-eienskappe grotendeels beïnvloed. Verskillende rotssny gereedskap is gesimuleer, naamlik koniese, beitel-vormige en knopie-vormige instrumente. Die numeriese sny gereedskap is gesimuleer as rigiede mure om simulasies te vereenvoudig en die gereedskap-kragte is dus nie deur slytasie beïnvloed nie. Tydens elke simulasie is die sny gereedskap vorentoe beweeg teen ‘n konstante snelheid. Die gereedskap-kragte, in drie ortogonale rigtings, is aangeteken gedurende die numeriese simulasies en die piek snykragte is ook voorspel deur teoretiese vergelykings. Die skade aan die Paarl graniet en Sandsteen-2 versamelings, is voorgestel as gebreekte bindings, wat saamsmelt tot mikroskopiese frakture. Die gemiddelde piek snykragte van skerp sny gereedskap van numeriese, teoretiese en eksperimentele modelle (uit die literatuur) is vergelyk. Ten slotte is die invloed wat faktore, onder andere die slytasie van gereedskap en die snydiepte, op die grootte van die kragte het ondersoek. Die resultate van die rotssny-toetse het aan die lig gebring dat die korrelasie tussen die numeriese en eksperimentale modelle sowel as die teoretiese en eksperimentele modelle nie sterk is tydens die gebruik van skerp koniese en beitel-vormige instrumente nie. Die gevolgtrekking is gemaak dat die invloed van slytasie van sny gereedskap ‘n wesenlike rol speel in die snyproses en dat dit in die numeriese simulasie ingesluit moet word sodat die resultate akkuraat en virifieerbaar is. Hierdie studie het ook gevind dat daar ‘n nie-lineêre toename in die gereedskap-kragte is met ‘n toename in snydiepte aangesien die kontak-area toeneem met ‘n toename in die snydiepte. By groter snydieptes, het die formasie van afsplinterings verhoog en dus sal skade aan die partikel versamelings en die slytasie van die gereedskap geminimeer word by vlakker snydieptes. Algeheel het die studie tot die gevolgtrekking gekom dat DEM in staat is om kalibrasie metodes en rotssny-toetse met verskillende sny gereedskap te simuleer asook om resultate te produseer wat verifieerbaar is met eksperimentele data. Numeriese voorspellings van die gereedskap-kragte sal dus toelaat om doeltreffende sny prosesse en operasionele parameters te ontwerp sowel as om die werkverrigting van uitgrawings masjiene te voorspel.
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Olsson, Helena. "Particle interactions and internal tablet structure : factors affecting the mechanical strength of pharmaceutical compacts /." Uppsala, Sweden : Uppsala University : Distributed by Uppsala University Library, 2000. http://w3.ub.uu.se/diss/eng/abstract.cfm?ISBN=91-554-4725-2.
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Pinate, Santiago. "Study of particle-current-electrocrystallization interactions in electroplating of Ni/SiC coatings." Licentiate thesis, Tekniska Högskolan, Högskolan i Jönköping, JTH, Material och tillverkning, 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:hj:diva-43548.
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Composite coatings have great potential due to the possibility to combine properties of two different materials in one coating. This way, new surface properties can be tailored and applied to any material's surface. Among different manufacturing routes, electrodeposition has the biggest potential in creating composite metal matrix coatings, especially nanocomposites. Nevertheless, there is a knowledge gap between the deposition of composite coatings in laboratory conditions, described in the literature, and those that are now in place on an industrial level. While micro-composites have been industrialised for about ten years, the production of Ni/SiC nanocomposite coatings by electroplating is still far from an industrial manufacturing floor. This is due to the lack of understanding of the mechanisms of nanoparticles codeposition leading to scattering results. The production of nanocomposite coatings is much more sensitive to the process parameters compared to microcomposite. The correlation between parameters and their influence on the codeposition are still not fully identified and understood. The codeposition models proposed in the literature are only valid in specific conditions, but composite depositions behave differently, or even opposite if some of the variables are modified. The main objective of this work is to identify the particle-current-electrocrystallization interactions in the production of Ni/SiC nanocomposites. A series of experiments are designed to isolate single variables and identify the controlling parameters of these interactions and their impact on the final properties. In this thesis, the effect of current density, type of current and particles size are identified as primary variables controlling the metal crystallisation and coatings properties. Among many parameters, a specific current waveform in pulse reverse mode proved to increase the codeposition rate effectively, doubling the content of nanoparticles compared to other techniques. Ultrasound assistance is also considered as stirring method when particles are suspended in the deposition bath to increase their stability and dispersion. The effect of Ultrasound on the particles codeposition and metal crystallisation is studied and compared to silent condition. Moreover, a surface treatment for the particle has been proven successful in making any particle to behave similarly in the Ni deposition bath. Furthermore, the codeposition rate doubled or tripled compared to untreated ones thanks to this treatment. Both ultrasonic agitation and surface treatment reduce the formation of aggregates, improving the particle dispersion and metal microstructure thus increasing the final hardness. The work proved the synergistic effect between particle and metal microstructure which affected the final properties of the coating. Therefore, when tailoring the composite coating to improve hardness, it is not only the amount of the particles that should be considered but also their influence on the electrocrystallisation process.Kompositbeläggning har stort potential tack vare möjligheten att kombinera två material i samma ytskikt. På detta sätt kan nya ytegenskaper skräddarsys och appliceras på ett materials yta. Elektrodeposition är den tillverkningsmetod som har störst potential att uppnå kompositbeläggningar, i synnerhet nanokompositer. Ett kunskapsgap existerar mellan elektrodeposition under laboratorieförhållanden, som beskrivet i vetenskaplig litteratur, och hur processen går till i industriell miljö. Medan industriell tillämpning av mikrokompositer pågått ungefär tio år, så har produktion av Ni/SiC nanokompositbeläggningar fortfarande inte nått fabriksgolvet. Detta är en konsekvens av bristande förståelse kring mekanismer för samdeposition av nanopartiklar som leder till varierande resultat. Produktion av nanokompositbeläggningar är mycket mer känslig för processparametrar jämfört med mikrokompositer. Korrelationer mellan parametrar och dess inverkan på samdeposition är fortfarande inte fullt identifierade och förstådda. Modeller för samdeposition som föreslås i vetenskaplig litteratur är endast giltiga under särskilda förhållanden. Kompositdeposition kan uppvisa avvikande eller till och med motsatt beteende om variabler förändras. Huvudmålet med detta arbete är att identifiera interaktioner mellan partikel, ström och elektrokristallisering under tillverkning av Ni/SiC nanokompositer. En serie av experiment är utvecklade för att isolera variabler och identifiera de parametrarna som kontrollerar dessa interaktioner och dess inverkan på ytans egenskaper. I denna avhandling identifieras strömtäthet, typ av ström, och partiklars storlek som primära variabler som kontrollerar metallkristallisering och beläggningens egenskaper. Bland många parametrar, visades en specifik vågform på strömmen i omvänd pulsläge öka samdepositionen effektivt, ledande till en fördubbling av andelen nanopartiklar jämfört med andra tekniker. Ultraljud tillämpades som metod för omrörning av depositionsbadet för förbättrad stabilitet och fördelning. Effekten av ultraljud på samdepositionen av metallkristallisering studeras och jämfört med tyst tillstånd. Dessutom har en ytbehandling för partiklarna visats framgångsrik för att få godtyckliga partiklar att bete sig likt Ni i depositionsbadet. Detta ledde till att samdepositionens takt ökade med en faktor av två till tre jämfört med obehandlade partiklar. Både ultraljud och ytbehandling av partiklarna ledde till minskad aggregation vilket förbättrade fördelningen av partiklar och metallstruktur och därigenom ökad hårdhet. Arbetet bevisar synergieffekten mellan partiklar och metallstruktur vilket påverkar beläggningens slutliga egenskaper. Vid utveckling av nya ytbeläggningar ska därför inte bara mängden partiklar beaktas utan även dess interaktion med elektrokristalliseringsprocessen.
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Reynolds, Scott B. "Particle Image Velocimetry Analysis on the Effects of Stator Loading on Transonic Blade-Row Interactions." Diss., CLICK HERE for online access, 2010. http://contentdm.lib.byu.edu/ETD/image/etd3423.pdf.
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Lin, Yuan. "Numerical modeling of dielectrophoresis." Licentiate thesis, Stockholm, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4014.
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Lin, Yuan. "Modeling of dielectrophoresis in micro and nano systems." Doctoral thesis, Stockholm : Mekanik, Mechanics, Kungliga Tekniska högskolan, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4784.
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Mucs, Daniel. "Computational methods for prediction of protein-ligand interactions." Thesis, University of Manchester, 2012. https://www.research.manchester.ac.uk/portal/en/theses/computational-methods-for-prediction-of-proteinligand-interactions(33ad0b24-ef7b-4dff-8e28-597a2f34e079).html.
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This thesis contains three main sections. In the first section, we examine methodologies to discriminate Type II protein kinase inhibitors from the Type I inhibitors. We have studied the structure of 55 Type II kinase inhibitors and have notice specific descriptive geometric features. Using this information we have developed a pharmacophore and a shape based screening approach. We have found that these methods did not effectively discriminate between the two inhibitor types used independently, but when combined in a consecutive way – pharmacophore search first, then shape based screening, we have found a method that successfully filtered out all Type I molecules. The effect of protonation states and using different conformer generators were studied as well. This method was then tested on a freely available database of decoy molecules and again shown to be discriminative. In the second section of the thesis, we implement and assess swarm-based docking methods. We implement a repulsive particle swarm optimization (RPSO) based conformational search approach into Autodock 3.05. The performance of this approach with different parameters was then tested on a set of 51 protein ligand complexes. The effect of using different factoring for the cognitive, social and repulsive terms and the importance of the inertia weight were explored. We found that the RPSO method gives similar performance to the particle swarm optimization method. Compared to the genetic algorithm approach used in Autodock 3.05, our RPSO method gives better results in terms of finding lower energy conformations. In the final, third section we have implemented a Monte Carlo (MC) based conformer searching approach into Gaussian03. This enables high level quantum mechanics/molecular mechanics (QM/MM) potentials to be used in docking molecules in a protein active site. This program was tested on two Zn2+ ion-containing complexes, carbonic anhydrase II and cytidine deaminase. The effects of different QM region definitions were explored in both systems. A consecutive and a parallel docking approach were used to study the volume of the active site explored by the MC search algorithm. In case of the carbonic anhydrase II complex, we have used 1,2-difluorobenzene as a ligand to explore the favourable interactions within the binding site. With the cytidine deaminase complex, we have evaluated the ability of the approach to discriminate the native pose from other higher energy conformations during the exploration of the active site of the protein. We find from our initial calculations, that our program is able to perform a conformational search in both cases, and the effect of QM region definition is noticeable, especially in the description of the hydrophobic interactions within the carbonic anhydrase II system. Our approach is also able to find poses of the cytidine deaminase ligand within 1 Å of the native pose.
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Corrias, Maria Elena. "A statistical mechanics approach to cancer dynamics: a model for multiple myeloma bone disease." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2019. http://amslaurea.unibo.it/18021/.
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L’utilizzo di modelli matematici sta assumendo un ruolo sempre più centrale nella ricerca oncologica. La complessità del cancro ha stimolato gruppi di ricerca interdisciplinare nello sviluppo di modelli quantitativi per rispondere alle numerose domande aperte che riguardano l’insorgenza, la progressione, la diagnosi, la risposta al trattamento terapeutico e l’acquisizione della resistenza ai farmaci dei tumori. La varietà di approcci matematico-fisici ben si adatta allo studio di una materia così eterogenea. In questo lavoro presentiamo innanzitutto gli aspetti biologico-clinici che caratterizzano il cancro, per poi introdurre i modelli che sono stati utilizzati per comprenderli. Abbiamo preso in considerazione il caso del mieloma multiplo, una neoplasia che colpisce le plasmacellule. In particolare proponiamo un modello matematico per lo studio della patogenesi delle lesioni ossee causate dal mieloma. L’insorgere di questo tumore rompe l’equilibrio fisiologico del tessuto osseo, causando un aumento dell’attività degli osteoclasti ed una diminuzione dell’attività degli osteoblasti, fenomeni che, combinati, comportano le caratteristiche fratture. Abbiamo optato per un approccio di tipo ecologico, in cui i diversi tipi di cellule sono considerati come specie interagenti in meccanismi di cooperazione o sfruttamento. Questo fenomeno è stato modellizzato all’interno della classe degli Interacting Particle Systems, che sono sistemi di processi di Markov localmente interagenti. Abbiamo inizialmente studiato il caso dell’osso sano per poi passare a quello in cui sono presenti le cellule del mieloma. Infine, abbiamo svolto simulazioni per delineare l’evoluzione nel tempo delle specie cellulari. Abbiamo riservato una particolare attenzione alla definizione dei parametri del modello: non solo essi ci permettono di riprodurre diversi stadi e forme del mieloma, ma possono descrivere l’intervento terapeutico sul tumore, costituendo un nuovo strumento per la ricerca oncologica.
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Nasar, Abouzied. "Eulerian and Lagrangian smoothed particle hydrodynamics as models for the interaction of fluids and flexible structures in biomedical flows." Thesis, University of Manchester, 2016. https://www.research.manchester.ac.uk/portal/en/theses/eulerian-and-lagrangian-smoothed-particle-hydrodynamics-as-models-for-the-interaction-of-fluids-and-flexible-structures-in-biomedical-flows(507cd0db-0116-4258-81f2-8d242e8984fa).html.
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Fluid-structure interaction (FSI), occurrent in many areas of engineering and in the natural world, has been the subject of much research using a wide range of modelling strategies. However, problems with high levels of structural deformation are difficult to resolve and this is particularly the case for biomedical flows. A Lagrangian flow model coupled with a robust model for nonlinear structural mechanics seems a natural candidate since large distortion of the computational geometry is expected. Smoothed particle Hydrodynamics (SPH) has been widely applied for nonlinear interface modelling and this approach is investigated here. Biomedical applications often involve thin flexible structures and a consistent approach for modelling the interaction of fluids with such structures is also required. The Lagrangian weakly compressible SPH method is investigated in its recent delta-SPH form utilising inter-particle density fluxes to improve stability. Particle shifting is also used to maintain particle distributions sufficiently close to uniform to enable stable computation. The use of artificial viscosity is avoided since it introduces unphysical dissipation. First, solid boundary conditions are studied using a channel flow test. Results show that when the particle distribution is allowed to evolve naturally instabilities are observed and deviations are noted from the expected order of accuracy. A parallel development in the SPH group at Manchester has considered SPH in Eulerian form (for different applications). The Eulerian form is applied to the channel flow test resulting in improved accuracy and stability due to the maintenance of a uniform particle distribution. A higher-order accurate boundary model is developed and applied for the Eulerian SPH tests and third-order convergence is achieved. The well documented case of flow past a thin plate is then considered. The immersed boundary method (IBM) is now a natural candidate for the solid boundary. Again, it quickly becomes apparent that the Lagrangian SPH form has limitations in terms of numerical noise arising from anisotropic particle distributions. This corrupts the predicted flow structures for moderate Reynolds numbers (O(102)). Eulerian weakly compressible SPH is applied to the problem with the IBM and is found to give accurate and convergent results without any numerical stability problems (given the time step limitation defined by the Courant condition). Modelling highly flexible structures using the discrete element model is investigated where granular structures are represented as bonded particles. A novel vector-based form (the V-Model) is identified as an attractive approach and developed further for application to solid structures. This is shown to give accurate results for quasi-static and dynamic structural deformation tests. The V-model is applied to the decay of structural vibration in a still fluid modelled using Eulerian SPH with no artificial stabilising techniques. Again, results are in good agreement with predictions of other numerical models. A more demanding case representative of pulsatile flow through a deep leg vein valve is also modelled using the same form of Eulerian SPH. The results are free of numerical noise and complex FSI features are captured such as vortex shedding and non-linear structural deflection. Reasonable agreement is achieved with direct in-vivo observations despite the simplified two-dimensional numerical geometry. A robust, accurate and convergent method has thus been developed, at present for laminar two-dimensional low Reynolds number flows but this may be generalised. In summary a novel robust and convergent FSI model has been established based on Eulerian SPH coupled to the V-Model for large structural deformation. While these developments are in two dimensions the method is readily extendible to three-dimensional, laminar and turbulent flows for a wide range of applications in engineering and the natural world.
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Volk, Annette. "Quantification and Assessment of Numerical Error in Coupled Computational Fluid Dynamics - Discrete Element Method Simulations of Gas Flow through Granular Solids." University of Cincinnati / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1543139366302536.
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Nielson, Joseph R. "Three Dimensional Characterization of Vocal Fold Fluid Structure Interactions." BYU ScholarsArchive, 2012. https://scholarsarchive.byu.edu/etd/3662.
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Voice quality is strongly linked to quality of life; those who suffer from voice disorders are adversely affected in their social, family, and professional relationships. An effort has been made to more fully understand the physics behind how the voice is created, specifically the fluid structure interactions that occur during vocal fold vibration. Many techniques have been developed and implemented to study both the motion of the vocal folds and the airflow that creates the motion. Until recently these techniques have sought to understand a highly three-dimensional phenomenon with 1D or 2D perspectives.This research focuses on the development and implementation of an experimental technique to obtain three-dimensional characterizations of vocal fold motion and fluid flow. Experiments were performed on excised human vocal fold models at the University Hospital Erlangen Medical School in Erlangen, Germany. A novel technique for tracking the motion of the vocal folds using multiple camera viewpoints and limited user interaction was developed. Four high-speed cameras (2000 fps) recorded an excised vocal fold model vibrating at 250 Hz. Based on the images from these four cameras a fully 3D reconstruction of the superior surface of the vocal folds was achieved. The 3D reconstruction of 70 consecutive time steps was assembled to characterize the motion of the vocal folds over eight cycles. The 3D reconstruction accurately modeled the observed behavior of vocal fold vibration with a clearly visible mucosal wave. The average reprojection error for this technique was on par with other contemporary techniques (~20 micrometers). A whole field, time resolved, three-dimensional reconstruction of the vocal fold fluid flow was obtained using synthetic aperture particle image velocimetry. Simultaneous 3D flow fields, subglottal pressure waves, and superior surface motion were presented for 2 consecutive cycles of oscillation. The vocal fold fluid flow and motion measurements correlated with behavior observed in previous three-dimensional studies. A higher resolution view of one full cycle of oscillation was compiled from 16 time resolved data sets via pressure data. The result was a full three-dimensional characterization of the evolution and disintegration of the glottal jet.
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Eslam, Panah Azar. "Flow structure and vorticity transport on a plunging wing." Diss., University of Iowa, 2014. https://ir.uiowa.edu/etd/4623.
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The structure and dynamics of the flow field created by a plunging flat plate airfoil are investigated at a chord Reynolds number of 10,000 while varying plunge amplitude and Strouhal number. Digital particle image velocimetry measurements are used to characterize the shedding patterns and the interactions between the leading and trailing edge vortex structures (LEV and TEV), resulting in the development of a wake classification system based on the nature and timing of interactions between the leading- and trailing-edge vortices. The convection speed of the LEV and its resulting interaction with the TEV is primarily dependent on reduced frequency; however, at Strouhal numbers above approximately 0.4, a significant influence of Strouhal number (or plunge amplitude) is observed in which LEV convection is retarded, and the contribution of the LEV to the wake is diminished. It is shown that this effect is caused by an enhanced interaction between the LEV and the airfoil surface, due to a significant increase in the strength of the vortices in this Strouhal number range, for all plunge amplitudes investigated. Comparison with low-Reynolds-number studies of plunging airfoil aerodynamics reveals a high degree of consistency and suggests applicability of the classification system beyond the range examined in the present work. Some important differences are also observed.
The three-dimensional flow field was characterized for a plunging two-dimensional flat-plate airfoil using three-dimensional reconstructions of planar PIV data. Whereas the phase-averaged description of the flow field shows the secondary vortex penetrating the leading-edge shear layer to terminate LEV formation on the airfoil, time-resolved, instantaneous PIV measurements show a continuous and growing entrainment of secondary vorticity into the shear layer and LEV. A planar control volume analysis on the airfoil indicated that the generation of secondary vorticity produced approximately one half the circulation, in magnitude, as the leading-edge shear layer flux. A small but non-negligible vorticity source was also attributed to spanwise flow toward the end of the downstroke.
Preliminary measurements of the structure and dynamics of the leading-edge vortex (LEV) are also investigated for plunging finite-aspect-ratio wings at a chord Reynolds number of 10,000 while varying aspect ratio and root boundary condition. Stereoscopic particle image velocimetry (SPIV) measurements are used to characterize LEV dynamics and interactions with the plate in multiple chordwise planes. The relationship between the vorticity field and the spanwise flow field over the wing, and the influence of root boundary conditions on these quantities has been investigated. The viscous symmetry plane is found to influence this flow field, in comparison to other studies \cite{YiRo:2010,Vi:2011b,CaWaGuVi:2012}, by influencing tilting of the LEV near the symmetry wall, and introducing a corewise root-to-tip flow near the symmetry plane. Modifications in the root boundary conditions are found to significantly affect this. LEV circulations for the different aspect ratio plates are also compared. At the bottom of the downstroke, the maximum circulation is found at the middle of the semi-span in each case. The circulation of the $sAR=2$ wing is found to significantly exceed that of the $sAR=1$ wing and, surprisingly, the maximum circulation value is found to be independent of root boundary conditions for the $sAR=2$ case and also closely matched that of the quasi-2D case.
Furthermore, the 3-D flow field of a finite wing of $sAR=2$ was characterized using three-dimensional reconstructions of planar PIV data after minimizing the gap between the plunging plate and the top stationary wall. The LEV on the finite wing rapidly evolved into an arch structure centered at approximately the 50\% spanwise position, similar to previous observations by Calderon et al. \cite{CaWaGu:2010}, and Yilmaz and Rockwell \cite{YiRo:2010}. At that location, the circulation contribution due to spanwise flow was approximately half that of the shear layer flux because of the significantly greater three-dimensionality in the flow. Increased tilting at the 25\% and 75\% spanwise locations suggests increasing three-dimensionality at those locations compared to the symmetry plane of the arch (50\% spanwise location). The deviation between the LEV circulation and integrated convective vorticity fluxes at the 50\% spanwise location suggests that entrainment of secondary vorticity plays a similar role in regulating LEV circulation as in the 2D case. While the wing surface flux of vorticity could not be measured in that case, the significant difference between LEV circulation and the known integrated fluxes is comparable to that for the 2D plate, suggesting that a significant boundary flux of secondary vorticity may exist.
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Firouznia, Mohammadhossein. "The Hydrodynamic Interaction of Two Small Freely-moving Particles in a Couette Flow of a Yield Stress Fluid." Ohio University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1502901401749626.
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Jasevičius, Raimondas. "The Numerical Modelling of Normal Interaction of Ultrafine Particles." Doctoral thesis, Lithuanian Academic Libraries Network (LABT), 2011. http://vddb.laba.lt/obj/LT-eLABa-0001:E.02~2010~D_20110224_161120-06365.
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Recently, powders of the size d (0.1 μm < d < 10 μm) have been referred to ultrafine particles. The particle shape considered is assumed to be a sphere of the diameter d. The handling of powders is of great importance for processing of pharmaceuticals, cement, chemicals and other products. Most of these technological processes involve powder compaction, storage, transportation, mixing, etc, therefore, understanding of the fundamentals of particles interaction behaviour is very essential in the design of machines and equipment as well as in powder technology, cleaning of environment and other areas.
The dynamic behaviour of particulate systems is very complicated due to the complex interactions between individual particles and their interaction with the surroundings. Understanding the underlying mechanisms can be effectively achieved via particle scale research. The problem of a normal contact may be resolved in a number of ways. In spite of huge progress in experimental techniques, direct lab tests with individual particles are still rather time-consuming and expensive.
The interaction of particles as solid bodies is actually a classical problem of contact mechanics. In the case of ultrafine particles, the reduction of the particle size shifts the contact zones into the nanoscale or subnanoscale. Thus, steadily increasing contribution of adhesion has to be considered in the development of the physically correct constitutive models and numerical tools. Consequently, it may... [to full text]Ultrasmulkios dalelės yra šiuolaikinės chemijos, farmacijos, maisto ir kitų pramonės šakų produktų sudėtinė dalis. Tiriant pramoninius technologinius procesus, neišvengiamai reikalingos teorinės žinios apie ultrasmulkių dalelių elgseną. Išsamus supratimas įmanomas tik atlikus įvairius tyrimus. Pastaruoju metu milteliai, klasifikuojami kaip ultrasmulkios (0,1 < d < 10 μm) dalelės, imti plačiai naudoti pramoniniuose procesuose, todėl suprasti ultrasmulkių dalelių elgsenos fundamentalumą miltelių technologijoje yra labai svarbu. Ultrasmulki dalelė yra itin maža, todėl su ja atlikti fizinį eksperimentą, kuris reikalauja specialios įrangos bei žinių, labai sunku. Tokiu atveju dažniausiai naudojamas skaitinis eksperimentas, kurį galima atlikti virtualiai. Skaitinio eksperimento metu yra tiriamos dinaminės ultrasmulkios dalelės savybės bei sprendžiamas dinaminis uždavinys. Taikant skaitinius modelius bei dalelės judėjimą aprašančias jėgų lygtis, naudojami sąveikos modeliai, apimantys adhezinę, klampią, tamprią bei tampriai plastinę sąveikas. Mikroskopinis adhezinės sąveikos modeliavimas – aktualus mechanikos mokslo uždavinys. Taikant sąveikos modelius, svarbu pritaikyti ir diskrečiųjų elementų metodą, kadangi, norint aprašyti dalelių elgseną, visų pirma reikia su-vokti ir aprašyti dalelės modelį. Dalelės elgsenos skaitiniam modeliavimui siūlomi teoriniai modeliai leidžia tirti dalelės sąveiką su dalele ar tampria puserdve bei sąveikos dinamiką. Šie modeliai galėtų būti pritaikyti... [toliau žr. visą tekstą]
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Kotian, Reshma. "Electrical Behavior of Non-Aqueous Formulations: Role of Electrostatic Interactions in Pressurized Metered Dose Inhalers (pMDIs)." Unavailable until 8/19/2013, 2008. http://hdl.handle.net/10156/2280.
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Slávik, Ondrej. "Studium vzájemné interakce trhlin šířících se v částicovém kompozitu s křehkou matricí za podmínek subkritického růstu." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2017. http://www.nusl.cz/ntk/nusl-318669.
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In the first part of the submitted diploma thesis, the knowledge in the sphere of the fracture mechanics, related to the practice part of this thesis are summarized. In that the 2D parametrical numerical model of the particle composite with multiple cracks was created, using the finite elements method. Thanks to this model it is possible to find specific configurations which are showing the existance of multiple mutual interactions between these cracks, just by simple manipulation of the input data. In the calculations the influence of the residual stresses was considered which are formed during production of the material. The effect of the subcritical crack growth was taken into account as well in this thesis.
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Sen, Oishik. "Multiscale modeling of multimaterial systems using a Kriging based approach." Diss., University of Iowa, 2016. https://ir.uiowa.edu/etd/2274.
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The present work presents a framework for multiscale modeling of multimaterial flows using surrogate modeling techniques in the particular context of shocks interacting with clusters of particles. The work builds a framework for bridging scales in shock-particle interaction by using ensembles of resolved mesoscale computations of shocked particle laden flows. The information from mesoscale models is “lifted” by constructing metamodels of the closure terms - the thesis analyzes several issues pertaining to surrogate-based multiscale modeling frameworks.
First, to create surrogate models, the effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver.
After this, closure laws for drag are constructed in the form of surrogate models derived from real-time resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that unlike the DKG method, the MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments.
In macroscale models for shock-particle interactions, Subgrid Particle Reynolds’ Stress Equivalent (SPARSE) terms arise because of velocity fluctuations due to fluid-particle interaction in the subgrid/meso scales. Mesoscale computations are performed to calculate the SPARSE terms and the kinetic energy of the fluctuations for different values of Mach Number and particle volume fraction. Closure laws for SPARSE terms are constructed using the MBKG method. It is found that the directions normal and parallel to those of shock propagation are the principal directions of the SPARSE tensor. It is also found that the kinetic energy of the fluctuations is independent of the particle volume fraction and is 12-15% of the incoming shock kinetic energy for higher Mach Numbers.
Finally, the thesis addresses the cost of performing large ensembles of resolved mesoscale computations for constructing surrogates. Variable fidelity techniques are used to construct an initial surrogate from ensembles of coarse-grid, relative inexpensive computations, while the use of resolved high-fidelity simulations is limited to the correction of initial surrogate. Different variable-fidelity techniques, viz the Space Mapping Method, RBFs and the MBKG methods are evaluated based on their ability to correct the initial surrogate. It is found that the MBKG method uses the least number of resolved mesoscale computations to correct the low-fidelity metamodel. Instead of using 56 high-fidelity computations for obtaining a surrogate, the MBKG method constructs surrogates from only 15 resolved computations, resulting in drastic reduction of computational cost.
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Mohd, Thiyahuddin Mohd Izzat. "Experimental and numerical characteristics of portable water-filled road safety barrier system under different impact conditions." Thesis, Queensland University of Technology, 2014. https://eprints.qut.edu.au/71458/1/Mohd%20Izzat_Mohd%20Thiyahuddin_Thesis.pdf.
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This research has developed an innovative road safety barrier system that will enhance roadside safety. In doing so, the research developed new knowledge in the field of road crash mitigation for high speed vehicle impact involving plastic road safety barriers. This road safety barrier system has the required feature to redirecting an errant vehicle with limited lateral displacement. Research was carried out using dynamic computer simulation technique support by experimental testing. Future road safety barrier designers may use the information in this research as a design guideline to improve the performance and redirectional capability of the road safety barrier system. This will lead to better safety conditions on the roadways and potentially save lives.
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Blackman, Karin. "Interactions multi-échelles entre la basse atmosphère et la canopée urbaine." Thesis, Ecole centrale de Nantes, 2017. http://www.theses.fr/2017ECDN0028.
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La couche limite urbaine est caractérisée par la présence de structures cohérentes complexes, telles que des structures de grande échelle à basse vitesse, et par des processus turbulents intermittents de balayage et d’éjection, responsables du transport de masse, de chaleur et de quantité de mouvement. Ces structures sont bien identifiées qualitativement mais leurs interactions avec les petites structures induites par la présence de la canopée urbaine sont encore mal connues. Afin d'étudier ces interactions, des écoulements de couche limite se développant sur des parois rugueuses sont étudiés en soufflerie. Le signal à petite échelle n'étant pas résolu temporellement, l'estimation stochastique linéaire est utilisée pour décomposer le champ de vitesse en grandes et petites échelles. On confirme que les structures à grande échelle dans la couche limite influencent les petites échelles proches de la rugosité à travers un mécanisme non linéaire similaire à une modulation d'amplitude. On montre également que la modification de la géométrie des éléments de rugosité entraîne une modification de cette interaction non linéaire dans la couche cisaillée. Le bilan complet de l'énergie cinétique turbulente (TKE), incluant la dissipation, est calculé à l'aide d'un modèle LE-PIV et démontre que les structures à petite échelle dans la couche de cisaillement sont importantes pour la production, le transport et la dissipation de l'énergie. Enfin, la décomposition triple du bilan de TKE confirme que la relation non linéaire qui existe entre les structures à grande échelle et les petites échelles proches de la rugosité est liée au transfert d'énergie entre ces structuresThe urban boundary layer consists of complex coherent structures, such as large-scale low momentum regions and intermittent turbulent sweeps and ejections, which are responsible for the transport of heat, momentum and pollution. Although these structures have been well identified, their quantitative relationship with the flow inside the canopy is still unknown. Wind tunnel modelling of flow over simplified rough terrain consisting of either three-dimensional or twodimensional roughness elements are able to reproduce these structures and are used to investigate the nonlinear relationship between large-scale momentum regions and small-scales induced by the presence of the roughness. As the temporally resolved small-scale signalis not available Linear Stochastic Estimation is used to decompose the flow into large and small-scales and confirm that the large-scale structures within the overlying boundary layer influence the small-scales close to the roughness through a non-linear mechanism similar to amplitude modulation. Changing terrain configuration from 3D to 2D roughness results in a modification of the non-linear relationship closer to the shear layer that develops near the top of the obstacles. The full turbulent kinetic energy (TKE) budget including dissipation is calculated using an LE-PIV model and demonstrates that small-scale structures within the shear layer are important to the production, transport and dissipation of energy. Finally, triple decomposition of theTKE budget confirms that the non-linear relationship that exists between large-scale momentum regions and small-scales close to the roughness is related to energy transfer between these structures
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Lindström, Anton. "A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them." Doctoral thesis, Umeå universitet, Kemi, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1924.
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En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. Denna design av läkemedelsmolekyler drar stor nytta av att målproteinet är känt och då framförallt dess tredimensionella (3D) struktur. Är 3D-strukturen känd kan man utföra så kallad struktur- och datorbaserad molekyldesign, 3D-geometrin (f.f.a. för inbindningsplatsen) blir en vägledning för designen av en ny molekyl. Många faktorer avgör interaktionen mellan en molekyl och bindningsplatsen, till exempel fysikalisk-kemiska egenskaper hos molekylen och bindningsplatsen, flexibiliteten i molekylen och målproteinet, och det omgivande lösningsmedlet. För att strukturbaserad molekyldesign ska fungera väl måste två viktiga steg utföras: i) 3D anpassning av molekyler till bindningsplatsen i ett målprotein (s.k. dockning) och ii) prediktion av molekylers affinitet för bindningsplatsen. Huvudsyftena med arbetet i denna avhandling var som följer: i) skapa modeler för att prediktera affiniteten mellan en molekyl och bindningsplatsen i ett målprotein; ii) förfina molekyl-protein-geometrin som skapas vid 3D-anpassning mellan en molekyl och bindningsplatsen i ett målprotein (s.k. dockning); iii) karaktärisera proteiner och framför allt deras sekundärstruktur; iv) bedöma effekten av olika matematiska beskrivningar av lösningsmedlet för förfining av 3D molekyl-protein-geometrin skapad vid dockning och prediktion av molekylers affinitet för proteiners bindningsfickor. Ett övergripande syfte var att använda kemometriska metoder för modellering och dataanalys på de ovan nämnda punkterna. För att sammanfatta så presenterar denna avhandling metoder och resultat som är användbara för strukturbaserad molekyldesign. De rapporterade resultaten visar att det är möjligt att skapa kemometriska modeler för prediktion av molekylers affinitet för bindningsplatsen i ett protein och att dessa presterade lika bra som andra vanliga metoder. Dessutom kunde kemometriska modeller skapas för att beskriva effekten av hur inställningarna för olika parametrar i dockningsprogram påverkade den 3D molekyl-protein-geometrin som dockingsprogram skapade. Vidare kunde kemometriska modeller andvändas för att öka förståelsen för deskriptorer som beskrev sekundärstrukturen i proteiner. Förfining av molekyl-protein-geometrin skapad genom dockning gav liknande och ickesignifikanta resultat oberoende av vilken matematisk modell för lösningsmedlet som användes, förutom för ett fåtal (sex av 30) fall. Däremot visade det sig att användandet av en förfinad geometri var värdefullt för prediktion av molekylers affinitet för bindningsplatsen i ett protein. Förbättringen av prediktion av affintitet var markant då en Poisson-Boltzmann beskrivning av lösningsmedlet användes; jämfört med prediktionerna gjorda med ett dockningsprogram förbättrades korrelationen mellan beräknad affintiet och uppmätt affinitet med 0,7 (R2).A disease is often associated with a cascade reaction pathway involving proteins, co-factors and substrates. Hence to treat the disease, elements of this pathway are often targeted using a therapeutic agent, a drug. Designing new drug molecules for use as therapeutic agents involves the application of methods collectively known as computer-aided molecular design, CAMD. When the three dimensional (3D) geometry of a macromolecular target (usually a protein) is known, structure-based CAMD is undertaken and structural information of the target guides the design of new molecules and their interactions with the binding sites in targeted proteins. Many factors influence the interactions between the designed molecules and the binding sites of the target proteins, such as the physico-chemical properties of the molecule and the binding site, the flexibility of the protein and the ligand, and the surrounding solvent. In order for structure-based CAMD to be successful, two important aspects must be considered that take the abovementioned factors into account. These are; i) 3D fitting of molecules to the binding site of the target protein (like fitting pieces of a jigsaw puzzle), and ii) predicting the affinity of molecules to the protein binding site. The main objectives of the work underlying this thesis were: to create models for predicting the affinity between a molecule and a protein binding site; to refine the geometry of the molecule-protein complex derived by or in 3D fitting (also known as docking); to characterize the proteins and their secondary structure; and to evaluate the effects of different generalized-Born (GB) and Poisson-Boltzmann (PB) implicit solvent models on the refinement of the molecule-protein complex geometry created in the docking and the prediction of the molecule-to-protein binding site affinity. A further objective was to apply chemometric methodologies for modeling and data analysis to all of the above. To summarize, this thesis presents methodologies and results applicable to structure-based CAMD. Results show that predictive chemometric models for molecule-to-protein binding site affinity could be created that yield comparable results to similar, commonly used methods. In addition, chemometric models could be created to model the effects of software settings on the molecule-protein complex geometry using software for molecule-to-binding site docking. Furthermore, the use of chemometric models provided a more profound understanding of protein secondary structure descriptors. Refining the geometry of molecule-protein complexes created through molecule-to-binding site docking gave similar results for all investigated implicit solvent models, but the geometry was significantly improved in only a few examined cases (six of 30). However, using the geometry-refined molecule-protein complexes was highly valuable for the prediction of molecule-to-binding site affinity. Indeed, using the PB solvent model it yielded improvements of 0.7 in correlation coefficients (R2) for binding affinity parameters of a set of Factor Xa protein drug molecules, relative to those obtained using the fitting software.
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Mohaghegh, Fazlolah. "A parallelized diffuse interface solver with applications to meso scale simulation of suspensions." Diss., University of Iowa, 2017. https://ir.uiowa.edu/etd/5971.
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The ultimate goal of this research is to develop the capability of direct numerical simulation of a flow containing numerous rigid finite size particles. In order to reach this goal, we have implemented the smoothed profile method (SPM) in the University of Iowa in-house solver, pELAFINT3D and overcame several challenges related to the method. This includes a proposed formulation for the interface thickness and many validations and comparisons with experimental data as well as with a second-order accurate sharp interface method. As one of the issues related to low-density particles is the instability, SPM has been improved by developing to a fully implicit scheme. Moreover, use of higher order integration formulation and implementation of Euler parameters have been shown to be helpful in stabilization of the calculations.
To preserve the efficiency when the number of the particles increases, local mesh refinement is shown to be a very effective tool. A revised version of SPM that has only one projection step is proposed to improve the efficiency of the method. A comprehensive efficiency study is performed and it has been shown that the new method is less expensive in problems with high added mass effect when strongly coupled fluid-structure interaction schemes are used. Moreover, the code is massively parallelized using MPI and PETSc libraries. The parallelization includes I/O, operations leading to construction of the linear solver as well as the solver itself.
Simulation of a particle laden flow involves particles collisions. Two novel collision models are suggested which are able to avoid particle overlapping for arbitrary shape particles. The methods are efficient as they are not involved with extra grid refinement related to implementing lubrication forces. The issue of handling continuously changing number of particles in a particle laden flow is solved by implementation of a linked list data structure for the particles.
By studying a flow over a constricted region we showed that the platelets’ activation is more likely to happen for the particles that pass from the middle of the upper bump region because those particles will have longer exposure time to the high shear flow behind the bump. PDF contour of particles’ presence show the more concentrated presence of the particles near the bump. Moreover, the interaction of RBCs and platelets pushes the platelets toward the wall after the bottom wall.
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Tholerus, Emmi. "The dynamics of Alfvén eigenmodes excited by energetic ions in toroidal plasmas." Licentiate thesis, KTH, Fusionsplasmafysik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-163127.
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Experiments for the development of fusion power that are based on magnetic confinement deal with plasmas that inevitably contain energetic (non-thermal) particles. These particles come e.g. from fusion reactions or from external heating of the plasma. Ensembles of energetic ions can excite plasma waves in the Alfvén frequency range to such an extent that the resulting wave fields redistribute the energetic ions, and potentially eject them from the plasma. The redistribution of ions may cause a substantial reduction heating efficiency, and it may damage the inner walls and other components of the vessel. Understanding the dynamics of such instabilities is necessary to optimise the operation of fusion experiments and of future fusion power plants. A Monte Carlo model that describes the nonlinear wave-particle dynamics in a toroidal plasma has been developed to study the excitation of the abovementioned instabilities. A decorrelation of the wave-particle phase is added in order to model stochasticity of the system (e.g. due to collisions between particles). Based on the nonlinear description with added phase decorrelation, a quasilinear version of the model has been developed, where the phase decorrelation has been replaced by a quasilinear diffusion coefficient in particle energy. When the characteristic time scale for macroscopic phase decorrelation becomes similar to or shorter than the time scales of nonlinear wave-particle dynamics, the two descriptions quantitatively agree on a macroscopic level. The quasilinear model is typically less computationally demanding than the nonlinear model, since it has a lower dimensionality of phase space. In the presented studies, several effects on the macroscopic wave-particle dynamics by the presence of phase decorrelation have been theoretically and numerically analysed, e.g. effects on the growth and saturation of the wave amplitude, and on the so called frequency chirping events with associated hole-clump pair formation in particle phase space. Several effects coming from structures of the energy distribution of particles around the wave-particle resonance has also been studied.QC 20150330
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Bräuer, Peter. "Extension and application of a tropospheric aqueous phase chemical mechanism (CAPRAM) for aerosol and cloud models." Doctoral thesis, Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-183743.
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The ubiquitous abundance of organic compounds in natural and anthorpogenically influenced eco-systems has put these compounds into the focus of atmospheric research. Organic compounds have an impact on air quality, climate, and human health. Moreover, they affect particle growth, secondary organic aerosol (SOA) formation, and the global radiation budget by altering particle properties. To investigate the multiphase chemistry of organic compounds and interactions with the aqueous phase in the troposphere, modelling can provide a useful tool. The oxidation of larger organic molecules to the final product CO2 can involve a huge number of intermediate compounds and tens of thousands of reactions. Therefore, the creation of explicit mechanisms relies on automated mechanism construction. Estimation methods for the prediction of the kinetic data needed to describe the degradation of these intermediates are inevitable due to the infeasibility of an experimental determination of all necessary data. Current aqueous phase descriptions of organic chemistry lag behind the gas phase descriptions in atmospheric chemical mechanisms despite its importance for the multiphase chemistry of organic compounds. In this dissertation, the gas phase mechanism Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) has been advanced by a protocol for the description of the oxidation of organic compounds in the aqueous phase. Therefore, a database with kinetic data of 465 aqueous phase hydroxyl radical and 129 aqueous phase nitrate radical reactions with organic compounds has been compiled and evaluated. The database was used to evaluate currently available estimation methods for the prediction of aqueous phase kinetic data of reactions of organic compounds. Among the investigated methods were correlations of gas and aqueous kinetic data, kinetic data of homologous series of various compound classes, reactivity comparisons of inorganic radical oxidants, Evans-Polanyi-type correlations, and structure-activity relationships (SARs). Evans-Polanyi-type correlations have been improved for the purpose of automated mechanism self-generation of mechanisms with large organic molecules. A protocol has been designed based on SARs for hydroxyl radical reactions and the improved Evans-Polanyi-type correlations for nitrate radical reactions with organic compounds. The protocol was assessed in a series of critical sensitivity studies, where uncertainties of critical parameters were investigated. The advanced multiphase generator GECKO-A was used to generate mechanisms, which were applied in box model studies and validated against two sets of aerosol chamber experiments. Experiments differed by the initial compounds used (hexane and trimethylbenzene) and the experimental conditions (UV-C lights off/on and additional in-situ hydroxyl radical source no/yes). Reasonable to good agreement of the modelled and experimental results was achieved in these studies. Finally, GECKO-A was used to create two new CAPRAM version, where, for the first time, branchingratios for different reaction pathways were introduced and the chemistry of compounds with up to four carbon atoms has been extended. The most detailed mechanism comprises 4174 compounds and 7145 processes. Detailed investigations were performed under real tropospheric conditions in urban and remote continental environments. Model results showed significant improvements, especially in regard to the formation of organic aerosol mass. Detailed investigations of concentration-time profiles and chemical fluxes refined the current knowledge of the multiphase processing of organic compounds in the troposphere, but also pointed at current limitations of the generator protocol, the mechanisms created, and current understanding of aqueous phase processes of organic compoundsDas zahlreiche Vorkommen organischer Verbindungen in natürlichen und anthropogen beeinflussten Ökosystemen hat diese Verbindungen in den Fokus der Atmosphärenforschung gerückt. Organische Verbindungen beeinträchtigen die Luftqualität, die menschliche Gesundheit und das Klima. Weiterhin werden Partikelwachstum und -eigenschaften, sekundäre organische Partikelbildung und dadurch der globale Strahlungshaushalt durch sie beeinflusst. Um die troposphärische Multiphasenchemie organischer Verbindungen und Wechselwirkungen mit der Flüssigphase zu untersuchen, sind Modellstudien hilfreich. Die Oxidation großer organischer Moleküle führt zu einer Vielzahl an Zwischenprodukten. Der Abbau erfolgt in unzähligen Reaktionen bis hin zum Endprodukt CO2. Bei der Entwicklung expliziter Mechanismen muss deshalb für diese Verbindungen auf computergestützte, automatisierte Methoden zurückgegriffen werden. Abschätzungsmethoden für die Vorhersage kinetischer Daten zur Beschreibung des Abbaus der Zwischenprodukte sind unabdingbar, da eine experimentelle Bestimmung aller benötigten Daten nicht realisierbar ist. Die derzeitige Beschreibung der Flüssigphasenchemie unterliegt deutlich den Beschreibungen der Gasphase in atmosphärischen Chemiemechanismen trotz deren Relevanz für die Multiphasenchemie. In dieser Arbeit wurde der Gasphasenmechanismusgenerator GECKO-A (“Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere”) um ein Protokoll zur Oxidation organischer Verbindungen in der Flüssigphase erweitert. Dazu wurde eine Datenbank mit kinetischen Daten von 465 Hydroxylradikal- und 129 Nitratradikalreaktionen mit organischen Verbindungen angelegt und evaluiert. Mit Hilfe der Datenbank wurden derzeitige Abschätzungsmethoden für die Vorhersage kinetischer Daten von Flüssigphasenreaktionen organischer Verbindungen evaluiert. Die untersuchten Methoden beinhalteten Korrelationen kinetischer Daten aus Gas- und Flüssigphase, homologer Reihen verschiedener Stoffklassen, Reaktivitätsvergleiche, Evans-Polanyi-Korrelationen und Struktur-Reaktivitätsbeziehungen. Für die Mechanismusgenerierung großer organischer Moleküle wurden die Evans-Polanyi-Korrelationen in dieser Arbeit weiterentwickelt. Es wurde ein Protokol für die Mechanismusgenerierung entwickelt, das auf Struktur-Reaktivitätsbeziehungen bei Reaktionen von organischen Verbindungen mit OH-Radikalen und auf den erweiterten Evans-Polanyi-Korrelationen bei NO3-Radikalreaktionen beruht. Das Protokoll wurde umfangreich in einer Reihe von Sensitivitätsstudien getestet, um Unsicherheiten kritischer Parameter abzuschätzen. Der erweiterte Multiphasengenerator GECKO-A wurde dazu verwendet, neue Mechanismen zu generieren, die in Boxmodellstudien gegen Aerosolkammerexperimente evaluiert wurden. Die Experimentreihen unterschieden sich sowohl in der betrachteten Ausgangssubstanz (Hexan und Trimethylbenzen) und dem Experimentaufbau (ohne oder mit UV-C-Photolyse und ohne oder mit zusätzlicher partikulärer Hydroxylradikalquelle). Bei den Experimenten konnte eine zufriedenstellende bis gute Übereinstimmung der experimentellen und Modellergebnisse erreicht werden. Weiterhin wurde GECKO-A verwendet, um zwei neue CAPRAM-Versionen mit bis zu 4174 Verbindungen und 7145 Prozessen zu generieren. Erstmals wurden Verzweigungsverhältnisse in CAPRAM eingeführt. Außerdem wurde die Chemie organischer Verbindungen mit bis zu vier Kohlenstoffatomen erweitert. Umfangreiche Untersuchungen unter realistischen troposphärischen Bedingungen in urbanen und ländlichen Gebieten haben deutliche Verbesserungen der erweiterten Mechanismen besonders in Bezug auf Massenzuwachs des organischen Aerosolanteils gezeigt. Das Verständnis der organischen Multiphasenchemie konnte durch detaillierte Untersuchungen zu den Konzentrations-Zeit-Profilen und chemischen Flüssen vertieft werden, aber auch gegenwärtige Limitierungen des Generators, der erzeugten Mechanismen und unseres Verständnisses für Flüssigphasenprozesse organischer Verbindungen aufgezeigt werden
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Kwa, Kiam Heong. "Laser-Driven Charged Particles as a Dynamical System." The Ohio State University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=osu1250103994.
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Martorana, Emanuele. "Untersuchungen zur Papierleimung mit Alkenylbernsteinsäureanhydrid (ASA)." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2012. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-86517.
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Ziel dieser Arbeit war es, die mechanistischen Abläufe bei der Papierleimung mit ASA besser zu verstehen und weiter aufzuklären, um vor allem Wechselwirkungen mit Füllstoffen und anderen chemischen Additiven zu minimieren. Dazu sollten analytische Verfahrensmethoden entwickelt werden, welche die bilanztechnische Verfolgung von ASA und dessen Reaktionsprodukten ermöglichen, um anschließend den Einfluss und die Wechselwirkungen verschiedenster Parameter auf die ASA-Leimung untersuchen zu können. Weiterhin sollte bei Untersuchungen zur Emulgierung versucht werden, die wichtigsten Einflussgrößen auf die Partikelgröße, Stabilität und Hydrolyse des ASA aufzuzeigen. Im ersten Teil der Arbeit konnten bei den Untersuchungen zur Emulgierung wichtige Einflussgrößen auf die Partikelgröße, Stabilität und Hydrolyse von ASA-Emulsionen aufgeklärt werden. Weiterhin wurde eine Methode zur genauen Bestimmung der Reaktionskinetik der ASA-Hydrolyse sowie der Ablagerungsneigung entwickelt. Bei den Untersuchungen zur analytischen Bestimmung wurde über die NIR-Spektroskopie ein einfaches Analyseverfahren zur exakten quantitativen Bestimmung von ASA und AKD entwickelt. Es wurde gefunden, dass eine quantitative Erfassung von synthetischen Leimungsmitteln (ASA / AKD) mittels NIR in den Regionen der CH2-Schwingungen um 4300 cm-1 und 5750 cm-1 mit hoher statistischer Genauigkeit möglich ist. Der Methodenfehler für die Bestimmung von AKD liegt bei ± 0,010 % und bei ± 0,013 % für ASA. Dadurch ist eine wesentlich genauere Bewertung von Wechselwirkungen bei der Leimung als bisher möglich, da nicht nur die Leimungswirkung, sondern über NIR auch Menge und Art (gebunden / ungebunden) an Leimungsmittel in einer bisher nicht erreichbaren Messzeit betrachtet werden können. Mittels HPLC und Pyrolyse-GC/MS konnten die erstellten NIR-Kalibrationen erfolgreich validiert werden. Im letzten Teil der Arbeit wurden Wechselwirkungen von ASA mit Füllstoffen und chemischen Additiven aufgeklärt, sowie mechanistische Grundlagen zur Leimung mit ASA erarbeitet. Hier hat sich gezeigt, dass der Mechanismus der ASA-Leimung nicht nur, wie oft in der Literatur beschrieben, auf eine Veresterung mit den Hydroxylgruppen der Cellulose zurückzuführen ist. Vielmehr ist die optimale Wirkung von Leimungsmitteln sehr stark von deren Verteilung, Mobilität und Orientierung abhängig. Weiterhin konnte festgestellt werden, dass der größte Anteil des Leimungsmittels im Papier in ungebundener (hydrolisierter) Form vorliegt und somit zur Wanderung (Migration) durch das Papiergefüge befähigt ist. Trotzdem kann der hydrolisierte Anteil deutlich zur Hydrophobierung des Papiers beitragen, wenn dieser richtig orientiert und fein verteilt ist. Schlecht orientierte Leimungsmittel tragen nicht zur Leimung bei bzw. können diese sogar reduzieren. In der vorliegenden Arbeit wurden unter Einsatz moderner Methoden wichtige Grundlagen zur Papierleimung mit ASA erarbeitet. Dabei wurden insbesondere Beiträge zu den Themen Emulgierung, Hydrolyse- und Ablagerungsneigung, analytische Bestimmung, Wechselwirkungen sowie Mechanismen von ASA geleistet. Diese Ergebnisse zeigen Möglichkeiten auf, wie in Unternehmen der Papierindustrie zukünftig ASA-Leimungsmittel gezielter dosiert, Produktionsstörungen vermieden und Kosten reduziert werden könnenThe purpose of this work was to develop a deeper understanding of the mechanisms in ASA sizing and to minimise interactions with fillers and other chemical additives. Therefore analytical test methods were developed, to enable a simple mass balance approach for ASA and its reaction products. Afterwards, the influence of various factors affecting ASA sizing and retention could be investigated and explained. Furthermore, the most important factors which influence particle size, stability, and hydrolysis of ASA emulsions had to be determined. In the first part of this work, studies regarding the emulsification of ASA were carried out. Here, the most important factors with regard to particle size, stability, and hydrolysis of ASA emulsions were investigated. Furthermore, a method for the exact determination of ASA hydrolysis as well as the agglomeration tendency was developed. For the investigations regarding the analytical determination, a fast and easy-to-use method for the quantification of ASA and AKD has been developed. The investigations have shown that a quantitative determination of synthetic sizing agents (ASA / AKD) is possible using NIR spectroscopy. With the help of multivariate data analysis and PLS regression, mainly the region of the CH2-bands around 4300 cm-1 and 5750 cm-1 were evaluated. The prediction error (RMSEP) for the determination of AKD is 0.01 %, and 0.013 % for ASA. Even an analysis of the percentage of bound and unbound ASA / AKD is possible by NIR spectroscopy of extracted paper samples. Thus, a fast and detailed investigation of mechanisms as regards sizing is possible. The developed NIR methods were validated using HPLC and Pyrolysis-GC/MS. In the last part of the work, interactions of ASA with fillers and chemical additives were investigated, and mechanisms of ASA sizing were studied. It was shown that the mechanism of ASA sizing - as often described in the literature - can not only be attributed to the esterification with the hydroxyl groups of the cellulose. In fact, the optimal effect of sizing agents is much more dependant on a fine distribution, mobility and orientation of ASA molecules. It was observed that the main part of the ASA is present in an unbound (hydrolysed) form and therefore is able to migrate through the paper structure. However, the hydrolysed ASA can significantly contribute to sizing when it is finely distributed and well orientated. Sizing agents orientated in the opposite do not contribute to sizing but they can even decrease the existing sizing level. To summarize, it can be concluded that, in this work important fundamentals as regards ASA sizing were developed using modern test methods. Thereby important contributions were made to the topics of emulsification, hydrolysis- and emulsion-stability, analytical determination, interactions and mechanisms of ASA. These results show possibilities how ASA sizing agents can be used more effectively, process disturbances avoided, and costs reduced
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Tholerus, Emmi. "The dynamics of Alfvén eigenmodes excited by energetic ions in toroidal plasmas." Doctoral thesis, KTH, Fusionsplasmafysik, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-193029.
Full textAbstract:
The future fusion power plants that are based on magnetic confinement will deal with plasmas that inevitably contain energetic (non-thermal) particles. These particles come, for instance, from fusion reactions or from external heating of the plasma. Ensembles of energetic ions can excite eigenmodes in the Alfvén frequency range to such an extent that the resulting wave fields redistribute the energetic ions, and potentially eject them from the plasma. The redistribution of ions may cause a substantial reduction of heating efficiency. Understanding the dynamics of such instabilities is necessary to optimise the operation of fusion experiments and of future fusion power plants. Two models have been developed to simulate the interaction between energetic ions and Alfvén eigenmodes. One is a bump-on-tail model, of which two versions have been developed: one fully nonlinear and one quasilinear. The quasilinear version has a lower dimensionality of particle phase space than the nonlinear one. Unlike previous similar studies, the bump-on-tail model contains a decorrelation of the wave-particle phase in order to model stochasticity of the system. When the characteristic time scale for macroscopic phase decorrelation is similar to or shorter than the time scale of nonlinear wave-particle dynamics, the nonlinear and the quasilinear descriptions quantitatively agree. A finite phase decorrelation changes the growth rate and the saturation amplitude of the wave mode in systems with an inverted energy distribution around the wave-particle resonance. Analytical expressions for the correction of the growth rate and the saturation amplitude have been derived, which agree well with numerical simulations. A relatively weak phase decorrelation also diminishes frequency chirping events of the eigenmode. The second model is called FOXTAIL, and it has a wider regime of validity than the bump-on-tail model. FOXTAIL is able to simulate systems with multiple eigenmodes, and it includes effects of different individual particle orbits relative to the wave fields. Simulations with FOXTAIL and the nonlinear bump-on-tail model have been compared in order to determine the regimes of validity of the bump-on-tail model quantitatively. Studies of two-mode scenarios confirmed the expected consequences of a fulfillment of the Chirikov criterion for resonance overlap. The influence of ICRH on the eigenmode-energetic ion system has also been studied, showing qualitatively similar effects as seen by the presence of phase decorrelation. Another model, describing the efficiency of fast wave current drive, has been developed in order to study the influence of passive components close to the antenna, in which currents can be induced by the antenna generated wave field. It was found that the directivity of the launched wave, averaged over model parameters, was lowered by the presence of passive components in general, except for low values of the single pass damping of the wave, where the directivity was slightly increased, but reversed in the toroidal direction.De framtida fusionskraftverken baserade på magnetisk inneslutning kommer att hantera plasmor som oundvikligen innehåller energetiska (icke-termiska) partiklar. Dessa partiklar kommer exempelvis från fusionsreaktioner eller från externa uppvärmningsmekanismer av plasmat. Ensembler av energetiska joner kan excitera egenmoder i Alfvén-frekvensområdet i en sådan utsträckning att de resulterande vågfälten omfördelar de energetiska jonerna i rummet, och potentiellt slungar ut jonerna ur plasmat. Omfördelningen av joner kan orsaka en väsentligen minskad uppvärmningseffekt. Det är nödvändigt att förstå dynamiken hos denna typ av instabilitet för att kunna optimera verkningsgraden hos experiment och hos framtida fusionskraftverk. Två modeller har utvecklats för att simulera interaktionen mellan energetiska joner och Alfvén-egenmoder. Den första är en bump-on-tail-modell, av vilken två versioner har utvecklats: en fullt icke-linjär och en kvasi-linjär. I den kvasi-linjära versionen har partiklarnas fasrum en lägre dimensionalitet än i den icke-linjära versionen. Till skillnad från tidigare liknande studier innehåller denna bump-on-tail-modell en dekorrelation av våg-partikelfasen för att modellera stokasticitet hos systemet. När den karakteristiska tidsskalan för makroskopisk fasdekorrelation är ungefär samma som eller kortare än tidsskalan för icke-linjär våg-partikeldynamik så stämmer den icke-linjära och den kvasi-linjära beskrivningen överens kvantitativt. En ändlig fasdekorrelation förändrar vågmodens tillväxthastighet och satureringsamplitud i system med en inverterad energifördelning omkring våg-partikelresonansen. Analytiska uttryck för korrektionen av tillväxthastigheten och satureringsamplituden har härletts, vilka stämmer väl överens med numeriska simuleringar. En relativt svag fasdekorrelation försvagar även "frequency chirping events" (snabba frekvensskiftningar i korttids-Fourier-transformen av egenmodens amplitudutveckling) hos egenmoden. Den andra modellen, kallad FOXTAIL, har ett mycket bredare giltighetsområde än bump-on-tail-modellen. FOXTAIL kan simulera system med flera egenmoder, och den inkluderar effekter av olika enskilda partikelbanor relativt vågfälten. Simuleringar med FOXTAIL och med bump-on-tail-modellen har jämförts för att kvantitativt bestämma bump-on-tail-modellens giltighetsområde. Studier av scenarier med två egenmoder bekräftar de förväntade effekterna av när Chirikov-kriteriet för resonansöverlapp uppfylls. Även inflytandet av ICRH på dynamiken mellan egenmoder och energetiska joner har studerats, vilket har visat kvalitativt liknande effekter som har observerats i närvaron av fasdekorrelation. En annan modell, vilken beskriver effektiviteten hos "fast wave current drive" (strömdrivning med snabba magnetosoniska vågor), har utvecklats för att studera inflytandet av passiva komponenter nära antennen, i vilka strömmar kan induceras av vågfälten som genereras av antennen. Det visades att den utskickade vågens direktivitet, medelvärdesbildat över modellparametrar, generellt sett minskade vid närvaron av passiva komponenter, förutom vid låg "sinlge pass damping" (dämpning av vågen vid propagering genom hela plasmat), då direktiviteten istället ökade något, men bytte tecken i toroidal riktning.
QC 20160927
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Forestier-Colleoni, Pierre. "Etude expérimentale des champs magnétiques en surface d'une cible irradiée par laser et leurs implications sur le faisceau d'électrons." Thesis, Bordeaux, 2016. http://www.theses.fr/2016BORD0036/document.
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Cette thèse porte sur la caractérisation des champs magnétiques générés par l'interaction entre un laser d'intensité de 1017 W/cm2 à 1018 W/cm2 et de cibles solides, et leurs effets sur le faisceau d'électrons chauds. En effet, les différents champs magnétiques créés lors de cette interaction ont un rôle fondamental sur les caractéristiques du faisceau d'électrons chauds : sa source et son transport dans la matière. Des diagnostics de polarimétrie et d'interférométrie croisée ont été développés lors de cette thèse pour observer le champ magnétique en surface de la cible irradiée par laser et en particulier leurs évolutions spatiale et temporelle. Deux différents régimes ont été observés selon le contraste en intensité de l'impulsion laser : un possédant une montée rapide de champ magnétique suivie d'une décroissance plus lente créées par le déplacement des électrons chauds dans la matière, et un possédant une croissance plus lente de forme logarithmique créée par la pré-impulsion du laser par effet thermoélectrique. L'interprétation de nos résultats obtenues par ces diagnostics ont permis d'évaluer la résistivité du plasma. Cette résistivité nommée anormale dans la littérature se comprend en estimant l'influence du champ magnétique sur l'anisotropie du transport des électrons et donc sur la résistivité. Le dernier diagnostic permettant l'estimation du champ magnétique détaillé dans cette thèse est la déflectométrie protonique. Elle permet d'observer la déviation d'un faisceau de protons lors de sa propagation sous l'effet de champs électrique et magnétique. D'autres expériences se sont focalisées sur la divergence de ce faisceau d'électrons. Deux diagnostics principaux ont été utilisés : l'imagerie K α et l'imagerie du rayonnement de transition cohérente (C.T.R.) en face arrière de ciblesThis thesis concerns magnetic fields, generated by the interaction between strong laser pulse (intensity up to1018 W/cm2) and solid target, and their effects on the fast electron beam. Indeed, the various magnetic fields created during this interaction can inuence the divergence of the fast electron beam. The magnetic field createdduring this interaction have a fundamental role on the fast electron beam characteristics : its source and its transportin the material. Diagnotics of polarimetry and crossed interferometry were developed during this thesis to observethe on-surface magnetic field of the target, and in particular, their spatial and temporal evolutions. Two types oftemporal evolution of the magnetic field were observed according to the contrast in intensity of the laser pulse : afast rise of magnetic field followed by a slower decrease created by the travel of the fast electrons in the material,and a slower growth of logarithmic form created by the pre-pulse of the laser by thermoelectric effect. The interpretation of our results obtained by these diagnotics allowed us to estimate the resistivity of the plasma.This resistivity named "anomalously high resistivity" in the literature can be explained by taking into account theinuence of the magnetic field on the electrons transport (creation of an anisotropy) and thus on the resitivity.The last diagnotic allowing the estimation of the magnetic field detailed in this thesis is the proton deectometry. itallows to observe the deviation of a proton beam during its propagation under the inuence of electric and magneticfields. Other experiments were focused on the fast electron beam divergence. Two main diagnotics were used : the K α imaging and the coherent transition radiation (C.T.R) imaging at the rear side of solid targets. These diagnoticsallowed to estimate the fast electron beam divergence for two distinct energetic electron populations. The differenceof divergence coming from characteristics of both diagnotics (electrons in charge of the emissions in different energies). The diagnotics of on-surface magnetic fields of target irradiated by intense laser, such as the technics of polarimetry and crossed interferometry developed in this thesis, are dedicated to be combined with diagnotics determining the evolution of the radial size of the fast electron beam generated by the laser-matter interaction. Their simultaneous use, and the correlation between their respective data, should allow to establish experimentally, in the short term, the inuence of the on-surface magnetic fields on the fast electron beam initial characteristics, in particular the angular and energy distributions. Our results of polarimetry on the spatio-temporal evolution of the magnetic fields of surface establish the state of the art for this type of measures. There are possible improvements, in particular as regards their use in conditions of irradiation by lasers of intensities > 1018 W/cm2. These perspectives are also the object of discussions in this manuscript
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Rohrmoser, Martin. "Study of correlations of heavy quarks in heavy ion collisions and their role in understanding the mechanisms of energy loss in the quark gluon plasma." Thesis, Ecole nationale supérieure Mines-Télécom Atlantique Bretagne Pays de la Loire, 2017. http://www.theses.fr/2017IMTA0015/document.
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Contexte : La chromodynamique quantique (CDQ), théorie de l’interaction forte, prédit un nouvel état de la matière, le plasma de quarks et de gluons (PQG) dont les degrés de liberté fondamentale, les quarks et les gluons, peuvent bouger quasi-librement. Les hautes températures et densités de particules, qui sont nécessaires, sont supposées être les conditions de l’univers dans ses premiers moments ou dans les étoiles à neutrons. Récemment elles ont été recrées par des collisions de noyaux d’ions lourdes à hautes énergies. Ces expériences étudient le PQG par la détection des particules de hautes énergies qui traversent le milieu, notamment, les quarks lourds. Les mécanismes de leur perte d’énergie dans le PQG ne sont pas compris complètement. Particulièrement, ils sont attribués aux processus soit de radiation induite par le milieu, soit de collisions de particules de type 2 vers 2, ou des combinaisons.Méthodes : Afin de trouver de nouvelles observables pour pouvoir distinguer les mécanismes de la perte d’énergie, on a implémenté un algorithme Monte-Carlo, qui simule la formation des cascades des particules à partir d’une particule initiale. Pour traiter le milieu, on a introduit des interactions PQG-jets, qui correspondent aux processus collisionnels et radiatifs. Les corrélations entre deux particules finales des cascades, dont une représente un quark trigger, ont été examinées comme moyen pour distinguer les modèles.Résultats : La dépendance de l’ouverture angulaire pour des corrélations entre deux particules en fonction des énergies des particules peut servir comme moyen pour séparer les mécanismes collisionnels et radiatifs de la perte d’énergie dans le milieuContext: Quantum chromodynamics (QCD), the theory of the strong interactions, predicts a new state of matter, the quark-gluon plasma (QGP), where its fundamental degrees of freedom, the quarks and gluons, behave quasi-freely. The required high temperatures and/orparticle densities can be expected for the early stages of the universe and in neutron stars, but have lately become accessible by highly energetic collisions of heavy ion cores. Commonly, these experiments study the QGP by the detection of hard probes, i.e. highly energetic particles, most notably heavy quarks, that pass the medium. The mechanisms of their energy-loss in the QGP are not yet completely understood. In particular, they are attributed to processes of either additional, medium induced radiation or 2 to 2 particle scattering, or combinations thereof.Methods: In a theoretical, phenomenological approach to search for new observables that allow discriminating between these collisional and radiative energy-loss mechanisms a Monte-Carlo algorithm that simulates the formation of particle cascades from an initial particle was implemented. For the medium, different types of QGP-jet interactions, corresponding to collisional and/orradiative energy loss, were introduced. Correlations between pairs of final cascade particles, where one represents a heavy trigger quark, were investigated as a means to differentiate between these models.Findings: The dependence of angular opening for two particle correlations as a function of particle energy may provide a means to disentangle collisional and radiative mechanisms of in-medium energy loss
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Breidenich, Jennifer L. "Impact-initiated combustion of aluminum." Diss., Georgia Institute of Technology, 2015. http://hdl.handle.net/1853/54403.
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This work focuses on understanding the impact-initiated combustion of aluminum powder compacts. Aluminum is typically one of the components of intermetallic-forming structural energetic materials (SEMs), which have the desirable combination of rapid release of thermal energy and high yield strength.
Aluminum powders of various sizes and different levels of mechanical pre-activation are investigated to determine their reactivity under uniaxial stress rod-on-anvil impact conditions, using a 7.62 mm gas gun. The compacts reveal light emission due to combustion upon impact at velocities greater than 170 m/s. Particle size and mechanical pre-activation influence the initiation of aluminum combustion reaction through particle-level processes such as localized friction, strain, and heating, as well as continuum-scale effects controlling the amount of energy required for compaction and deformation of the powder compact during uniaxial stress loading. Compacts composed of larger diameter aluminum particles (~70µm) are more sensitive to impact initiated combustion than those composed of smaller diameter particles. Additionally, mechanical pre-activation by high energy ball milling (HEBM) increases the propensity for reaction initiation.
Direct imaging using high-speed framing and IR cameras reveals light emission and temperature rise during the compaction and deformation processes. Correlations of these images to meso-scale CTH simulations reveal that initiation of combustion reactions in aluminum powder compacts is closely tied to mesoscale processes, such as particle-particle interactions, pore collapse, and particle-level deformation. These particle level processes cannot be measured directly because traditional pressure and velocity sensors provide spatially averaged responses. In order to address this issue, quantum dots (QDs) are investigated as possible meso-scale pressure sensors for probing the shock response of heterogeneous materials directly. Impact experiments were conducted on a QD-polymer film using a laser driven flyer setup at the University of Illinois Urbana-Champaign (UIUC). Time-resolved spectroscopy was used to monitor the energy shift and intensity loss as a function of pressure over nanosecond time scales. Shock compression of a QD-PVA film results in an upward shift in energy (or a blueshift in the emission spectra) and a decrease in emission intensity. The magnitude of the shift in energy and the drop in intensity are a function of the shock pressure and can be used to track the particle scale differences in the shock pressure. The encouraging results illustrate the possible use of quantum dots as mesoscale diagnostics to probe the mechanisms involved in the impact initiation of combustion or intermetallic reactions.
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Blaclard, Guillaume. "Ultra-High Intense Laser on Dense Plasmas : from Periodic to Chaotic Dynamics." Thesis, université Paris-Saclay, 2020. http://www.theses.fr/2020UPASS133.
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L'émergence des lasers ultra-brefs et ultra-intenses a permis le développement d'une nouvelle branche de la physique encore largement inexplorée : la physique UHI (pour Ultra-High Intensity). Lors de la réflexion d'un tel laser sur une cible solide, l'intensité au foyer I₀ peut atteindre des valeurs aussi importantes que 10¹⁸⁻²⁰ W.cm⁻², suffisamment pour ioniser complétement la matière. Le plasma ainsi formé se détend sur une longueur caractéristique Lg, nommée longueur de gradient. Quand Lg <<λ₀ (longueur d'onde du laser), le plasma dense se comporte comme un miroir de qualité optique capable de réfléchir spéculairement la lumière incidente : c'est un miroir plasma. Ce système physique remarquable peut être utilisé dans de multiples applications principalement comme source compacte de faisceaux de particules à hautes charges et hautes énergies ou de lumière intense, principalement ultraviolet ou X, grâce à un phénomène de génération d'harmoniques d'ordres élevés. Le bon contrôle de ces sources nécessite de clairement identifier les différents mécanismes de couplage entre lumière et matière en jeu lors de l'interaction. Dans ce manuscrit, cela est rendu possible grâce à de précises simulations de type Particle-In-Cell (PIC) réalisées avec le code WARP+PXR. Ce nouveau code emploie un solveur pseudo-spectral pour résoudre les équations de Maxwell. Celui-ci améliore grandement la précision des simulations et notamment des émissions harmoniques et électroniques, que les solveurs plus standards ne parviennent à décrire, même à hautes résolutions. Grâce à des simulations WARP+PXR, nous avons étudié l'influence de Lg sur les observables expérimentales que sont les émissions de lumière et de particules, quand un laser de puissance (I₀ = 10¹⁹ W.cm⁻²) se réfléchit sur un plasma dense. Notre étude révèle une claire transition entre un mécanisme périodique en temps et un processus chaotique quand l'interface devient plus lisse. Nous nous sommes principalement concentrés sur le deuxième mécanisme, appelé chauffage stochastique pour lequel des études en profondeur vont être menées en fonction de différents paramètres d'interaction. Dans ce régime, les électrons de la partie sous-dense du plasma subissent une dynamique chaotique dans l'onde stationnaire formée par la superposition des ondes incidente et réfléchie, ce qui leur permet d'absorber une importante part de l'énergie laser. La nature fondamentale de la dynamique en jeu est révélée grâce aux équations du mouvement au sein des deux ondes que l'on peut réduire en équations de pendules forcés (comme celui de Kapitza), systèmes bien connus comme chaotiques. Cette correspondance apporte une intuition physique profonde sur le comportement des électrons pour différentes configurations laser. Ceci nous permet in fine de prédire les principaux aspects du chauffage stochastiqueThe advent of high power femtosecond lasers has paved the way to a promising and still largely unexplored branch of physics called Ultra-High Intensity physics (UHI). Once such a laser is focused on a solid target, the laser intensity I₀ can reach values as large as 10¹⁸⁻²⁰ W.cm⁻², for which matter is fully ionized. The plasma thus formed expands towards vacuum on a spatial scale characterized by a quantity Lg called the density gradient scale length. When Lg << λ₀ (laser wavelength), the dense plasma therefore acts as an optical mirror that specularly reflects the incident light: it is a plasma mirror. This remarkable physical system can be used in many scientific applications as compact source of high-energy and high-charge particle beams (electrons, ions) or bright source of radiations ranging from extreme ultraviolet-rays to X-rays through high harmonic generation processes. In order to finely control these sources, it is required to properly identify the different coupling mechanisms between light and matter at play during the interaction. In this manuscript, this has been made possible by performing accurate Particle-In-Cell (PIC) simulations with the WARP+PXR code. This recently developed code advances Maxwell’s equations in Fourier space, which proves to correctly model harmonic/electron emissions that standard codes fail to accurate describe even at high resolution. Based on WARP+PXR PIC simulations, we investigate the influence of Lg on the experimentally observed emission of light and particles, when a high-power laser pulse (I₀ = 10¹⁹ W.cm⁻²) reflects off a dense plasma. Our study reveals an unambiguous transition from a temporally periodic mechanism to a chaotic process as the interface becomes smoother. In particular, the latter mechanism, named stochastic heating, is fully characterized as well as its domain of validity in terms of laser-plasma parameters. In this regime, electrons in the underdense part of the gradient are exposed to the standing wave formed in front of the overcritical part of the plasma by superposition of incidence and reflected beams. While evolving in the two waves, electrons behave chaotically and absorb an important fraction of the laser energy. The nature of the interaction is revealed by reducing the equations of motion of particles in two waves to physical systems, such Kapitza’s pendulum, well-known to exhibit chaos. That correspondence gives deep physical intuitions on how electrons behave in different laser configurations, which allows us to predict major features of stochastic heating
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Fawaz, Fadi. "Konstruktion av ett nötningssystem för olika stålmaterial." Thesis, Linnéuniversitetet, Institutionen för maskinteknik (MT), 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:lnu:diva-53683.
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I deatta arbete har olika nötningstyper identifierats vilka entreprenadmaskiners skopor utsätts för. Utifrån de dominerande nötningstyperna ska en nötningsprovrigg konstrueras som behandlar dessa. Detta då företaget Borox som förser entreprenad och vägindustrin med slitstarka stålmaterial ska kunna testa sina material och få en relativ uppskattning om nötningsbeständighet och lämplighet på sina produkter. En produktutvecklingsprocess följdes under arbetet och en lämplig provrigg valdes för att sedan konstrueras och ritas..
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Antoine, Pierre-Cornélius. "Etude des dalles sur sols renforcés au moyen d'inclusions rigides ou non." Doctoral thesis, Universite Libre de Bruxelles, 2010. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/209997.
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Soft soil reinforcement by inclusion is a growing technique caracterized by a pile grid and a granular embankment introduced between the reinforced soil and the structure. Unlike traditionnal methods, the load is partially transferred to the pile heads by arching in the embankment. The application area of this research focuses on the shallow foundations case, in which the thickness of the embankment is small. The litterature review shows that only a few studies were dedicated to that case, and that fundamental questions remains concerning the load transfer in the embankment. Chosen method for this research consists in two-dimensionnal physical modelling, analysis of the conducted simulations, and development of an analytical model in order to predict the load transfer to the piles by arching in the embankment. The results of this PhD thesis provide original elements of evidence of the load transfer in the studied system, proposes an analytical model based on block division of the granular embankment by shear bands - which is in good agreement with experimental data - and lead to a better understanding of arching in soils.Doctorat en Sciences de l'ingénieur
info:eu-repo/semantics/nonPublished
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Sturm, Alexander Bonaparte. "Mechanics-based approaches for the flexural and shear behaviour of ultra-high performance fibre reinforced concrete beams." Thesis, 2020. http://hdl.handle.net/2440/128686.
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This thesis presents a series of journal articles outlining a mechanics-based analysis approach for the flexural and shear behaviour of ultra-high performance fibre reinforced concrete beams. These solutions apply the mechanical principles of partial interaction, shear friction and segmental analysis to the design of fibre reinforced concrete (FRC) and ultra-high performance fibre reinforced concrete (UHPFRC) beams. The analysis techniques are developed for both normal strength FRC and UHPFRC, which is important as these materials have in the past often treated separately, but should be treated together the mechanical principles do not change, rather only the material properties. Further, because of their mechanics foundation, these approaches can also be applied to conventional reinforced concrete without modification by simply ignoring all terms relating to fibre properties. In the first part of this thesis the bond, tension and shear friction properties of UHPFRC are obtained through material testing. A significant part of this research is the development of a new apparatus for determining the shear friction properties. The development of this apparatus is important as it allows for the precise control of the confining force applied to the shear plane and because tests can be conducted using standard cylinders, it allows for rapid, low-cost testing of the large number of samples required to understand the impact of different fibre types and volumes. In the second part of the thesis closed form mechanics solutions are developed for the tension stiffening properties including crack spacing and the crack opening stiffness. These are then used to develop closed form solutions for the deflections and crack widths at the serviceability limit state. Next, experimental work is conducted to investigate the impact of hybridising fibres by testing UHPFRC beams with varying cross sections and fibre types. This is followed by tests to investigate the impact of prestressing with either steel or fibre reinforced polymer (FRP) tendons. Having experimentally investigated this behaviour, a segmental analysis technique, is developed to predict deflections at all load levels and crack widths. Finally, closed-form solutions are developed for predicting moment redistribution behaviour of continuous reinforced concrete beams including those constructed of UHPFRC at all limit states. Having investigated flexural performance at both the serviceability and ultimate limit state, a numerical and analytical approach which is mechanically consistent with the proposed flexural analysis is developed to predict member shear capacity. The solutions are validated against 31 tests, including two conducted by the author on UHPFRC I-sections in order to demonstrate accuracy compared to codified solutions and those available from the literature. Simplified solutions are then developed in a form which can be implemented in routine design. In the final section of this thesis further applications of partial interaction theory are developed. In this section closed-form solutions are derived for FRP to substrate joints with and without anchors. In this section it is shown that the same theory used to analyse conventional, FRC and UHPFRC reinforcement can also be applied, without fundamental modification to predict the behaviour of FRP retrofitted sections.Thesis (Ph.D.) -- University of Adelaide, School of Civil, Environmental & Mining Engineering, 2020
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Hasan, Noor Md Sadiqul. "Time dependent flexural analysis of reinforced concrete members." Thesis, 2016. http://hdl.handle.net/2440/103968.
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Concrete is one of the most widely used building materials in the construction industry in the world. Time dependent behaviour of concrete is the major concern for the structural engineers due to its significant effect in the long term serviceability and durability. Reinforced concrete (RC) members are prone to the effect of time dependent deformations that are known as shrinkage and creep, can produce substantial deformations and deflections to the structure. The mechanics of quantifying the serviceability deflection of RC beams is complex due to flexural cracking and the associated partial interaction (PI) behaviour of slip between the reinforcement and adjacent concrete. Add the additional complexity of time dependent concrete shrinkage to this partial-interaction (PI) behaviour and the problem becomes very complex. Current design and analysis techniques to quantify serviceability deflection of reinforced concrete (RC) members are generally built on two major principles which are full interaction (FI) through the use of moment curvature approaches; and a uniform longitudinal shrinkage strain εsh [sh subscript] within the member to simplify the analysis technique. Both of the premises are gross approximations and with regard to the first premise, RC beams are subject to flexural cracking and the associated partial interaction (PI) behaviour of slip between the reinforcement and adjacent concrete. Furthermore with regard to the second premise, numerous tests have shown that εsh [sh subscript] varies along both the depth and width of the beam and which is far from uniform. Hence there are two major sources of error in the quantification of serviceability deflections of RC beams for design and which are due to the PI mechanisms that occur in practice; and that due to the time dependent material properties of creep and shrinkage. This thesis deals with the development of PI numerical mechanics models with non-linear shrinkage strain variations achieved from a moisture diffusion model developed in this study and that is required to simulate the PI behaviour of RC beams in order to considerably reduce the source of error occurred due to the application of numerical mechanics model. Hence this new mechanics model will allow: the development of better design mechanics rules for serviceability deflection; and also assist in the better quantification of non-linear shrinkage and creep by removing or considerably reducing the existing mechanics source of error. Importantly, this research provides mechanics solutions for all the facets that control the serviceability time dependent behaviour of RC beams and it is envisaged that these numerical mechanics solutions can provide researchers with the tools to develop simple design procedures as they simulate the major mechanisms influencing cracking and tension stiffening in reinforced concrete beams. Current shrinkage test methodology is having some limitations that are all surfaces are exposed to the environment and they are small scaled which leads to a uniformity of shrinkage strain and which are not present in real size RC beams. Therefore in this thesis, a new form of experimental setup for shrinkage have been proposed to better quantify the shrinkage variations along both the width and depth of RC members with varying the sizes and surface boundary conditions.Thesis (Ph.D.) (Research by Publication) -- University of Adelaide, School of Civil, Environmental and Mining Engineering, 2016.
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Philipowski, Robert [Verfasser]. "Stochastic interacting particle systems and nonlinear partial differential equations from fluid mechanics / vorgelegt von Robert Philipowski." 2007. http://d-nb.info/986005622/34.
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Zeng, Lanying. "Interaction between a spherical particle and wall-bounded flows at finite Reynolds number /." 2007. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3270066.
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Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2007.Source: Dissertation Abstracts International, Volume: 68-07, Section: B, page: 4579. Adviser: S. Balachandar. Includes bibliographical references (leaves 188-195) Available on microfilm from Pro Quest Information and Learning.
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"The effect of the particle interactions in the sedimentation process." Tulane University, 2003.
Find full textAbstract:
The Lattice Boltzmann Method (LBM) is adopted to numerically simulate the particle sedimentation process under three conditions: particles settling in an infinite vessel with initial homogenous configuration, particles settling in an inclined vessel and bidisperse sedimentation The sedimentation process of solid particles in a two-dimensional channel with an initially homogeneous, square configuration is investigated at Reynolds numbers up to 10. The simulations show that the process of sedimentation encompasses three stages. In the first stage, the initial particle configuration plays a major role on the average velocity of the particles. During the second stage, the concentration is lower, strong particles interactions occur and the formation and destruction of particle clusters play a major role in the process. During the third stage, the concentration becomes low and the particle clusters are stable. The wakes generated by particle and clusters, especially of the leading cluster becomes important in the process During the sedimentation process in inclined tubes, the LBM simulations show the trajectories and flow behavior of individual particles, particle-particle and particle-wall interactions as well as the formation of particle clusters. The global convection motion that was experimentally observed during such processes and, which tends to enhance the sedimentation process is reproduced numerically The monodisperse and bidisperse sedimentation, where pairs of particle are place in an equal vertical distance, are also investigated by the LBM. In the bidisperse sedimentation, when pairs of particles are placed dense enough, a flow channel will occur in the central part of the container, which is called the channelization. As long as the flow channel is established, the particles motions are periodic. The trajectories of the pair particles' horizontal displacements are similar to the profiles of the Lorenz equations. The trajectories of the monodisperse sedimentation, the bidisperse sedimentation with the channelization, the bidisperse sedimentation without channelization and a simple bidisperse sedimentation, are related to the Lorenz equations of Category-1 where a butterfly profile occurs, Category-2 where a trajectory will fall into a stable periodic orbit, Category-3 where an unstable attractor occurs and Category-4 where a trajectory is attracted to the origin point, respectivelyacase@tulane.edu
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"Euler-Lagrange Modeling of Vortex Interaction with a Particle-Laden Turbulent Boundary Layer." Master's thesis, 2011. http://hdl.handle.net/2286/R.I.9176.
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abstract: Rotorcraft operation in austere environments can result in difficult operating conditions, particularly in the vicinity of sandy areas. The uplift of sediment by rotorcraft downwash, a phenomenon known as brownout, hinders pilot visual cues and may result in a potentially dangerous situation. Brownout is a complex multiphase flow problem that is not unique and depends on both the characteristics of the rotorcraft and the sediment. The lack of fundamental understanding constrains models and limits development of technologies that could mitigate the adverse effects of brownout. This provides the over-arching motivation of the current work focusing on models of particle-laden sediment beds. The particular focus of the current investigations is numerical modeling of near-surface fluid-particle interactions in turbulent boundary layers with and without coherent vortices superimposed on the background flow, that model rotorcraft downwash. The simulations are performed with two groups of particles having different densities both of which display strong vortex-particle interaction close to the source location. The simulations include cases with inter-particle collisions and gravitational settling. Particle effects on the fluid are ignored. The numerical simulations are performed using an Euler- Lagrange method in which a fractional-step approach is used for the fluid and with the particulate phase advanced using Discrete Particle Simulation. The objectives are to gain insight into the fluid-particle dynamics that influence transport near the bed by analyzing the competing effects of the vortices, inter-particle collisions, and gravity. Following the introduction of coherent vortices into the domain, the structures convect downstream, dissipate, and then recover to an equilibrium state with the boundary layer. The particle phase displays an analogous return to an equilibrium state as the vortices dissipate and the boundary layer recovers, though this recovery is slower than for the fluid and is sensitive to the particle response time. The effects of inter-particle collisions are relatively strong and apparent throughout the flow, being most effective in the boundary layer. Gravitational settling increases the particle concentration near the wall and consequently increase inter-particle collisions.Dissertation/Thesis
M.S. Aerospace Engineering 2011
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Frain, Matthew J. "Investigation of the influence of gas and solid particle interaction on the heat transfer effectiveness of a falling -bed heat exchanger." 2004. https://scholarworks.umass.edu/dissertations/AAI3136726.
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The objective of this investigation is to evaluate the ability of analytical and computational models to describe the momentum and heat transfer between the gas and particles in a falling-bed heat exchanger. Experimental data are presented for a test falling-bed heat exchanger. Measured temperatures, pressures, and overall heat transfer rates are compared to predicted values from analytical and computational models, and the capabilities and deficiencies of these modeling methods are discussed. In addition, the effect of the addition of a particle distributor on the performance of the falling-bed heat exchanger is measured. In the falling-bed heat exchanger, solid particles fall through a vertical column against a counterflowing gas stream flowing upward with a velocity less than the terminal velocity of the particle. Heat is exchanged between the falling particles and rising gas. This arrangement has been proposed for heat recovery and regeneration in power plants and other process applications. The ability to model and predict the heat transfer rate between the gas and particles is critical to the design of the falling-bed heat exchanger. The heat transfer between the gas and solid particles in these devices has typically been modeled by assuming steady-state and ideal, uniform, one-dimensional flow of the continuous fluid and the particle or droplets. This model, termed the uniform mixing model in this study, has been used in many instances to estimate the effective heat transfer coefficient and Nusselt number of the falling droplets and particles as a function of effective Reynolds number from experimental data. The addition of a particle distributor has been shown to increase the heat transfer effectiveness of the falling-bed heat exchanger in experiments. It has been determined that the uniform mixing model generally does not provide an accurate representation of the falling-bed heat exchanger, as it cannot account for gas and particle maldistributions such as those created by a particular particle distributor design. Computational fluid dynamics, which can permit the modeling of these spatial maldistributions, has been used to model the falling-bed heat exchanger. The predictions of the overall heat transfer rate from computational fluid dynamics are in better agreement with the measured values. However, discrepancies between the predicted and measured pressures and local temperatures indicate that the modeling of the turbulent mixing of momentum and energy is inadequate.
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Nair, Prapanch. "Modeling Free Surface Flows and Fluid Structure Interactions using Smoothed Particle Hydrodynamics." Thesis, 2015. http://etd.iisc.ernet.in/2005/3766.
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Recent technological advances are based on effectively using complex multiphysics concepts. Therefore, there is an ever increasing need for accurate numerical al-gorithms of reduced complexity for solving multiphysics problems. Traditional mesh-based simulation methods depend on a neighbor connectivity information for formulation of operators like derivatives. In large deformation problems, de-pendence on a mesh could prove a limitation in terms of accuracy and cost of preprocessing. Meshless methods obviate the need to construct meshes thus al-lowing simulations involving severe geometric deformations such as breakup of a contiguous domain into multiple fragments. Smoothed Particle Hydrodynamics (SPH) is a meshless particle based Lagrangian numerical method that has the longest continuous history of development ever since it was introduced in 1977. Commensurate with the significant growth in computational power, SPH has been increasingly applied to solve problems of greater complexity in fluid mechanics, solid mechanics, interfacial flows and astrophysics to name a few.
The SPH approximation of the continuity and momentum equations govern-ing fluid flow traditionally involves a stiff equation of state relating pressure and density, when applied to incompressible flow problems. Incompressible Smoothed Particle Hydrodynamics (ISPH) is a variant of SPH that replaces this weak com-pressibility approach with a pressure equation that gives a hydrostatic pressure field which ensures a divergence-free (or density invariant) velocity field. The present study explains the development of an ISPH algorithm and its implementa-tion with focus on application to free surface flows, interaction of fluid with rigid bodies and coupling of incompressible fluids with a compressible second phase.
Several improvements to the exiting ISPH algorithm are proposed in this study. A semi-analytic free surface model which is more accurate and robust compared to existing algorithms used in ISPH methods is introduced, validated against experi-ments and grid based CFD results. A surface tension model with specific applica-bility to free surfaces is presented and tested using 2D and 3D simulations. Using theoretical arguments, a volume conservation error in existing particle methods in general is demonstrated. A deformation gradient based approach is used to derive a new pressure equation which reduces these errors. The method is ap-plied to both free surface and internal flow problems and is shown to have better volume conservation and therefore reduced density fluctuations. Also, comments on instabilities arising from particle distributions are made and the role of the smoothing functions in such instabilities is discussed. The challenges in imple-menting the ISPH algorithm in a computer code are discussed and the experience of developing an in-house ISPH code is described.
A parametric study on water entry of cylinders of different shapes, angular velocity and density is performed and aspects such as surface profiles, impact pressures and penetration velocities are compared. An analysis on the energy transfer between the solid and the fluid is also performed. Low Froude number water entry of a sphere is studied and the impact pressure is compared with the theoretical estimates.
The Incompressible SPH formulation, employing the proposed improvements from the study is then coupled with a compressible SPH formulation to perform two phase flow simulations interacting compressible and incompressible fluids. To gain confidence in its applicability, the simulations are compared against the theoretical predication given by the Rayleigh-Plesset equation for the problem of compressible drop in an incompressible fluid.
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Jayaprakash, Narayan M. "Shock Wave-boundary Layer Interaction in Supersonic Flow over Compression Ramp and Forward-Facing Step." Thesis, 2014. http://hdl.handle.net/2005/3014.
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Shock wave-boundary layer interactions (SWBLIs) have been studied ex-tensively due to their practical importance in the design of high speed ve-hicles. These interactions, especially the ones leading to shock induced separation are typically unsteady in nature and can lead to large fluctuating pressure and thermal loads on the structure. The resulting shock oscil-lations are generally composed of high-frequency small-scale oscillations and low-frequency large-scale oscillations, the source of the later being a subject of intense recent debate. Motivated by these debates, we study in the present work, the SWBLI at a compression ramp and on a forward-facing step (FFS) at a Mach number of 2.5. In the case of compression ramps, a few ramp angles are studied ranging from small (10 degree) ramp angle to relatively large values of up to 28 degrees. The FFS configuration, which consists of a 90 degree step of height h, may be thought of as an extreme case of the compression ramp geometry, with the main geometri-cal parameter here being (h/δ), where δis the thickness of the oncoming boundary layer. This configuration is less studied and has some inherent advantages for experimentally studying SWBLI as the size of the separa-tion bubble is large. In the present experimental study, we use high-speed schlieren, unsteady wall pressure measurements, surface oil flow visualiza-tion, and detailed particle image velocimetry (PIV) measurements in two orthogonal planes to help understand the features of SWBLI in the com-pression ramp geometry and the forward-facing step case.
The SWBLI at a compression ramp has been more widely studied, and our measurements show the general features that have been seen in earlier studies. The upstream boundary layer is found to separate close to the ramp corner forming a separation bubble. The streamwise length of the separa-tion bubble is found to increase with the ramp angle, with a consequent shift of the shock foot further upstream. At very small ramp angles up to 10 degrees, there is no evidence of separation, while at large ramp angles of 28 degrees, the separation bubble extends upstream to about 3.5δ(δ=boundary layer thickness). In all cases, the separation bubble is however very small in the wall normal direction, typically known to be about 0.1δ, and hence is difficult to directly measure in experiments using PIV. Shock foot measurements using PIV show that the shock has a spanwise ripple, which seems directly related to the high-and low-speed streaks in the in-coming boundary layer as recently shown by Ganapathisubramani et al. (2007).
The forward-facing step configuration may be thought of as an extreme case of the compression ramp geometry, with a ramp angle of 90 degrees. This configuration has not been extensively studied, and is experimentally convenient due to the large separation bubbles formed ahead of the step. In the present work, extensive measurements of the mean and unsteady flow around this configuration have been done, especially for the case of h/δ=2, where his the step height. Pressure measurements in this case, show clear low-frequency motions of the shock at non-dimensional frequencies of about fh/U∞≈ 0.02. In this case, PIV measurements show the pres-ence of a large mean separation bubble extending to about 4hupstream and about 1hvertically. Instantaneous PIV measurements have been done in both cross-stream (streamwise and wall-normal plane) and in the span-wise (streamwise-spanwise) plane. Instantaneous cross-stream PIV mea-surements show significant variations of the shock location and angle, be-sides large variations in the recirculation region (or separation bubble), this being determined as the area having streamwise velocities less than zero. From a large set of individual PIV instantaneous fields, we can estimate the correlation of the measured shock location to both downstream effects like the area of the recirculation region, and upstream effects like the presence of high-/low-speed streaks in the oncoming boundary layer. We find that the shock location measured from data outside the boundary layer is more highly correlated to downstream effects as measured through the recircu-lation area compared to upstream effects in the boundary layer. However, we find that the shock foot within the boundary layer has ripples in the
spanwise direction which are well correlated to the presence of high-/low-speed streaks in the incoming boundary layer. These spanwise ripples are however found to be small (less than one h) compared to the highly three-dimensional shape of the recirculation region with spanwise variation of the order of 3 step heights.
In summary, the study shows that the separated region ahead of the step is highly three-dimensional. The shock foot within the boundary layer is found to have ripples that are well correlated to fluctuations in the in-coming boundary layer. However, we find that the large-scale nearly two-dimensional shock motions outside the boundary layer are not well cor-related to the fluctuations in the boundary layer, but are instead well cor-related with the spanwise-averaged separation bubble extent. Hence, the present results suggest that for the forward-facing step configuration, it is the downstream effect caused by the separation bubble that leads to the observed low-frequency shock motions.
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Sunil, Sanadi Dilip. "Dynamics of Hollow Cone Spray in an Unconfined, Isothermal, Co-Annular Swirling Jet Environment." Thesis, 2015. http://etd.iisc.ernet.in/2005/3866.
Full textAbstract:
The complex multiphase flow physics of spray-swirl interaction in both reacting and non-reacting environment is of fundamental and applied significance for a wide variety of applications ranging from gas turbine combustors to pharmaceutical drug nebulizers. Understanding the intricate dynamics between this two phase flow field is pivotal for enhancing mixing characteristics, reducing pollutant emissions and increasing the combustion efficiency in next generation combustors. The present work experimentally investigates the near and far-field break-up, dispersion and coalescence characteristics of a hollow cone spray in an unconfined, co¬annular isothermal swirling air jet environment. The experiments were conducted using an axial-flow hollow cone spray nozzle having a 0.5 mm orifice. Nozzle injection pressure (PN = 1 bar) corresponding to a Reynolds number at nozzle exit ReN = 7900 used as the test setting. At this setting, the operating Reynolds number of the co-annular swirling air stream number (Res) was varied in four distinct steps, i.e. Res = 1600, 3200, 4800 and 5600. Swirl was imparted to the co¬axial flow using a guided vane swirler with blade angle of Ф=45° (corresponding geometric swirl number SG = 0.8). Two types of laser diagnostic techniques were utilized: Particle / Droplet imaging analysis (PDIA) and shadowgraph to study the underlying physical mechanisms involved in the primary breakup, dispersion and coalescence dynamics of the spray. Measurements were made in the spray in both axial and radial directions and they indicate that Sauter Mean Diameter (SMD) in radial direction is highly reliant on the intensity of swirl imparted to the spray. The spray is subdivided into two zones as function of swirl in axial and radial direction: (1) near field of the nozzle (ligament regime) where variation in SMD arises predominantly due to primary breakup of liquid films (2) far-field of the nozzle where dispersion and collision induced coalescence of droplets is dominant. Each regime has been analyzed meticulously, by computing probability of primary break-up, probability of coalescence and spatio-temporal distribution of droplets which gives probabilistic estimate of aforementioned governing phenomena. In addition to this, spray global length scale parameters such as spray cone angle, break-up length, wavelength of liquid film has been characterized by varying Res while maintaining constant ReN.
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Saluja, Gaurav. "Experimental Study of Patterns in Hydrodynamically Deposited Dispersed Phase of CaCO3 on Surfaces of Straight Cylindrica Silica Tubing." Thesis, 2015. http://etd.iisc.ernet.in/2005/3955.
Full textAbstract:
Deposition of dispersed phase from flowing dispersions onto a substrate surface is of utmost relevance for various industrial processes like fouling of sparingly soluble salts, such as CaCO3 and CaSO4 in heat exchangers and desalination evaporators which tend to form deposits on flow surfaces of tubes or pipelines conveying hard water and in water filtration and purification processes since concentration of CaCO3 in many natural water resources is equal to or greater than the saturation level. The study of deposition is also of intrinsic interest for biophysics and colloid science where vascular calcification i.e. precipitation and deposition of calcium phosphates (hydroxyapatites) in the muscular layer of the blood reduces arterial compliance and promotes congestive heart failure. Experiments were conducted on straight, circular cross section silica tubing of inner di-ameter (ranging from 0.88 mm to3.40 mm) to study the effect of electrostatic interaction and hydrodynamics on the deposition behavior of CaCO3 on silica surface when streams of aqueous solutions of Ca(NO3)2 and Na2CO3 with a concentration of 40.0 g l−1 and
25.9gl−1 respectively flowing at a volumetric flow rate of 1 l h−1 each is mixed to form CaCO3 dispersion which was then transported through silica tubing at a steady volumetric flow rate of 2lh−1. The in situ phenomenology of CaCO3 particles transport, deposition, and evolution of spatial and temporal patterns of the CaCO3 deposition on the silica surface along with the dendritic growth of CaCO3 during the flow was visually documented with the aid of a 100X optical microscope.
The study discussed the deposition behavior of dispersed phase of CaCO3 from its aqueous dispersion on the silica tubing during flow and attributed charge inversion from negative to positive of silica surface, due to the adsorption of Na+ formed during precipitation reaction of CaCO3, as a plausible reason for the reversal of electrostatic interaction from attraction between initially negatively charged silica surface and positively charged CaCO3 particles which promoted deposition and subsequent evolution of patterns of CaCO3 deposition on the silica surface during the early stage of experiments to repulsion between finally net positively charged silica surface and positively charged CaCO3 particles which resulted in retarded deposition and subsequent emergence of sparsely adhered CaCO3 agglomerates as localized, limited patches of CaCO3 deposits on the silica surface during the later stage of the experiments
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Martorana, Emanuele. "Untersuchungen zur Papierleimung mit Alkenylbernsteinsäureanhydrid (ASA)." Doctoral thesis, 2010. https://tud.qucosa.de/id/qucosa%3A25985.
Full textAbstract:
Ziel dieser Arbeit war es, die mechanistischen Abläufe bei der Papierleimung mit ASA besser zu verstehen und weiter aufzuklären, um vor allem Wechselwirkungen mit Füllstoffen und anderen chemischen Additiven zu minimieren. Dazu sollten analytische Verfahrensmethoden entwickelt werden, welche die bilanztechnische Verfolgung von ASA und dessen Reaktionsprodukten ermöglichen, um anschließend den Einfluss und die Wechselwirkungen verschiedenster Parameter auf die ASA-Leimung untersuchen zu können. Weiterhin sollte bei Untersuchungen zur Emulgierung versucht werden, die wichtigsten Einflussgrößen auf die Partikelgröße, Stabilität und Hydrolyse des ASA aufzuzeigen.
Im ersten Teil der Arbeit konnten bei den Untersuchungen zur Emulgierung wichtige Einflussgrößen auf die Partikelgröße, Stabilität und Hydrolyse von ASA-Emulsionen aufgeklärt werden. Weiterhin wurde eine Methode zur genauen Bestimmung der Reaktionskinetik der ASA-Hydrolyse sowie der Ablagerungsneigung entwickelt.
Bei den Untersuchungen zur analytischen Bestimmung wurde über die NIR-Spektroskopie ein einfaches Analyseverfahren zur exakten quantitativen Bestimmung von ASA und AKD entwickelt. Es wurde gefunden, dass eine quantitative Erfassung von synthetischen Leimungsmitteln (ASA / AKD) mittels NIR in den Regionen der CH2-Schwingungen um 4300 cm-1 und 5750 cm-1 mit hoher statistischer Genauigkeit möglich ist. Der Methodenfehler für die Bestimmung von AKD liegt bei ± 0,010 % und bei ± 0,013 % für ASA. Dadurch ist eine wesentlich genauere Bewertung von Wechselwirkungen bei der Leimung als bisher möglich, da nicht nur die Leimungswirkung, sondern über NIR auch Menge und Art (gebunden / ungebunden) an Leimungsmittel in einer bisher nicht erreichbaren Messzeit betrachtet werden können. Mittels HPLC und Pyrolyse-GC/MS konnten die erstellten NIR-Kalibrationen erfolgreich validiert werden.
Im letzten Teil der Arbeit wurden Wechselwirkungen von ASA mit Füllstoffen und chemischen Additiven aufgeklärt, sowie mechanistische Grundlagen zur Leimung mit ASA erarbeitet. Hier hat sich gezeigt, dass der Mechanismus der ASA-Leimung nicht nur, wie oft in der Literatur beschrieben, auf eine Veresterung mit den Hydroxylgruppen der Cellulose zurückzuführen ist. Vielmehr ist die optimale Wirkung von Leimungsmitteln sehr stark von deren Verteilung, Mobilität und Orientierung abhängig. Weiterhin konnte festgestellt werden, dass der größte Anteil des Leimungsmittels im Papier in ungebundener (hydrolisierter) Form vorliegt und somit zur Wanderung (Migration) durch das Papiergefüge befähigt ist. Trotzdem kann der hydrolisierte Anteil deutlich zur Hydrophobierung des Papiers beitragen, wenn dieser richtig orientiert und fein verteilt ist. Schlecht orientierte Leimungsmittel tragen nicht zur Leimung bei bzw. können diese sogar reduzieren.
In der vorliegenden Arbeit wurden unter Einsatz moderner Methoden wichtige Grundlagen zur Papierleimung mit ASA erarbeitet. Dabei wurden insbesondere Beiträge zu den Themen Emulgierung, Hydrolyse- und Ablagerungsneigung, analytische Bestimmung, Wechselwirkungen sowie Mechanismen von ASA geleistet. Diese Ergebnisse zeigen Möglichkeiten auf, wie in Unternehmen der Papierindustrie zukünftig ASA-Leimungsmittel gezielter dosiert, Produktionsstörungen vermieden und Kosten reduziert werden können.The purpose of this work was to develop a deeper understanding of the mechanisms in ASA sizing and to minimise interactions with fillers and other chemical additives. Therefore analytical test methods were developed, to enable a simple mass balance approach for ASA and its reaction products. Afterwards, the influence of various factors affecting ASA sizing and retention could be investigated and explained. Furthermore, the most important factors which influence particle size, stability, and hydrolysis of ASA emulsions had to be determined. In the first part of this work, studies regarding the emulsification of ASA were carried out. Here, the most important factors with regard to particle size, stability, and hydrolysis of ASA emulsions were investigated. Furthermore, a method for the exact determination of ASA hydrolysis as well as the agglomeration tendency was developed. For the investigations regarding the analytical determination, a fast and easy-to-use method for the quantification of ASA and AKD has been developed. The investigations have shown that a quantitative determination of synthetic sizing agents (ASA / AKD) is possible using NIR spectroscopy. With the help of multivariate data analysis and PLS regression, mainly the region of the CH2-bands around 4300 cm-1 and 5750 cm-1 were evaluated. The prediction error (RMSEP) for the determination of AKD is 0.01 %, and 0.013 % for ASA. Even an analysis of the percentage of bound and unbound ASA / AKD is possible by NIR spectroscopy of extracted paper samples. Thus, a fast and detailed investigation of mechanisms as regards sizing is possible. The developed NIR methods were validated using HPLC and Pyrolysis-GC/MS. In the last part of the work, interactions of ASA with fillers and chemical additives were investigated, and mechanisms of ASA sizing were studied. It was shown that the mechanism of ASA sizing - as often described in the literature - can not only be attributed to the esterification with the hydroxyl groups of the cellulose. In fact, the optimal effect of sizing agents is much more dependant on a fine distribution, mobility and orientation of ASA molecules. It was observed that the main part of the ASA is present in an unbound (hydrolysed) form and therefore is able to migrate through the paper structure. However, the hydrolysed ASA can significantly contribute to sizing when it is finely distributed and well orientated. Sizing agents orientated in the opposite do not contribute to sizing but they can even decrease the existing sizing level. To summarize, it can be concluded that, in this work important fundamentals as regards ASA sizing were developed using modern test methods. Thereby important contributions were made to the topics of emulsification, hydrolysis- and emulsion-stability, analytical determination, interactions and mechanisms of ASA. These results show possibilities how ASA sizing agents can be used more effectively, process disturbances avoided, and costs reduced.