Dissertations / Theses on the topic 'Material dynamics'
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Epiphaniou, Nicholas. "Modelling of Dynamic Friction Across Solid Material Interfaces Using Molecular Dynamics Techniques." Thesis, Cranfield University, 2009. http://hdl.handle.net/1826/4458.
Full textSonwalkar, Nishikant. "Molecular dynamics of ice-solid bi-material interfaces." Thesis, Massachusetts Institute of Technology, 1992. http://hdl.handle.net/1721.1/12916.
Full textBanerjee, J. R. "Advances in structural dynamics, aeroelasticity and material science." Thesis, City University London, 2015. http://openaccess.city.ac.uk/14901/.
Full textNEGRONI, MATTIA. "Dynamics in Porous Materials." Doctoral thesis, Università degli Studi di Milano-Bicocca, 2020. http://hdl.handle.net/10281/263115.
Full textMy thesis work was based on the characterization of porous materials, paying particular attention to the research of dynamic elements within the structures and to the study of adsorbed gases. I was able to detect the presence of ultrafast paraphenylenic rotors in both porous molecular crystals and metal-organic frameworks (MOFs). A more detailed study has also revealed how these motions are influenced by the adsorbed gas. Specifically, the activation energy of the rotation increases as a function of the quantity of gas in the pores. To better understand this interaction, the knowledge of the behavior of gases in porous materials is fundamental. I turned my attention to the study of xenon and CO2 motion in different materials. The combined use of NMR and ab initio calculations proved to be fundamental for understanding these phenomena and it was possible to reveal particular characteristics both of the gases and of the materials. The complexity of the diffusion within the channels has also been presented in unusual ways as the helicoidal motion of carbon dioxide imposed by the electrostatic potential. To continue the study of pore gases, I characterized several porous aromatic frameworks (PAFs) with the hyperpolarized xenon technique. This not only allowed me to accurately measure the pore size but also to calculate the interaction energy between the xenon and the channel walls. To expand my knowledge on hyperpolarization as an NMR technique, I spent six months at the group of Prof. L. Emsley in Lausanne learning dynamic nuclear polarization (DNP) as well as its application to different materials.
Dovstam, Krister. "On material damping modelling and modal analysis in structural dynamics /." Stockholm, 1998. http://www.lib.kth.se/abs98/dovs1216.pdf.
Full textDing, Lifeng. "A molecular dynamics study of material behavior controlled by interface." Thesis, University of Leicester, 2010. http://hdl.handle.net/2381/8916.
Full textGacek, Sobieslaw Stanislaw. "Molecular dynamics simulation of shock waves in laser-material interaction." [Ames, Iowa : Iowa State University], 2009.
Find full textMarks, Benjamin. "Grainsize dynamics of granular flows." Thesis, The University of Sydney, 2013. http://hdl.handle.net/2123/9372.
Full textPennell, Sara. "The material culture of food in early modern England, circa 1650-1750." Thesis, University of Oxford, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302127.
Full textTränkle, Marion. "Material agency and performative dynamics in the practices of media art." Thesis, Brunel University, 2011. http://bura.brunel.ac.uk/handle/2438/8767.
Full textHofmann, Marc [Verfasser], and Jürgen [Akademischer Betreuer] Blum. "Dynamics of Granular Material on Small Bodies / Marc Hofmann ; Betreuer: Jürgen Blum." Braunschweig : Technische Universität Braunschweig, 2014. http://d-nb.info/1175820334/34.
Full textSteer, Jonathan. "Influences of plant growth and root material on soil microbial community dynamics." Thesis, University of East London, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.298081.
Full textLam, Stephen Tsz Tang. "Accelerated atomistic prediction of structure, dynamics and material properties in molten salts." Thesis, Massachusetts Institute of Technology, 2020. https://hdl.handle.net/1721.1/129108.
Full textCataloged from student-submitted PDF version of thesis.
Includes bibliographical references (pages 122-142).
Various advanced nuclear reactors including fluoride high-temperature salt-cooled reactors (FHRs), molten salt reactors (MSRs) and fusion devices have proposed to use molten salt coolants. However, there remain many uncertainties in the chemistry, dynamics and physicochemical properties of many salts, especially over the course of reactor operation, where impurities are introduced, and compositional and thermodynamic changes occur. Density functional theory (DFT) and ab initio molecular dynamics (AIMD) were used for property, structure and chemistry predictions for a variety of salts including LiF, KF, NaF, BeF2, LiCl, KCl, NaCl, prototypical Flibe (66.6%LiF-33.3%BeF2), and Flinak (46.5%LiF-11.5NaF-42%KF). Predictions include thermophysical and transport properties such as bulk density, thermal expansion coefficient, bulk modulus, and diffusivity, which were compared to available experimental data.
DFT consistently overpredicted bulk density by about 7%, while all other properties generally agreed with experiments within experimental and numerical uncertainties. Local structure was found to be well predicted where pair distribution functions showed similar first peak distances (+ 0.1 A) and first shell coordination numbers (+ 0.4 on average), indicating accurate simulation of chemical structures and atomic distances. Diffusivity was also generally well predicted within experimental uncertainty (+20%). Validated DFT and AIMD methods were applied to study tritium in prototypical salts since it is an important corrosive and diffusive impurity found in salt reactors. It was found that tritium species diffusivity depended on its speciation (TF vs. T2), which was related to chemical structures formed in Flibe and Flinak salts. Further, predictions allowed comparison with and interpretation of past contradictory experimental results found in the literature.
Lastly, robust neural network interatomic potentials (NNIPs) were developed for LiF and Flibe. The LiF NNIP accurately reproduced DFT calculations for pair interactions, solid LiF and liquid molten salt. The Flibe NNIP was developed for molten salt at the reactor operating temperature of 973K and was found to reproduce local structures calculated from DFT and showed good stability and accuracy during extended MD simulation. Ab initio methods and NNIPs can play a major role in advanced reactor development. Combined with experiments, these methods can greatly improve fundamental understanding and accelerate materials discovery, design and selection.
by Stephen Tsz Tang Lam.
Ph. D.
Ph.D. Massachusetts Institute of Technology, Department of Nuclear Science and Engineering
Farooque, Tanya Mahbuba. "Biochemical and mechanical stimuli for improved material properties and preservation of tissue-engineered cartilage." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/26710.
Full textCommittee Chair: Boyan, Barbara; Committee Chair: Wick, Timothy; Committee Member: Brockbank, Kelvin; Committee Member: Nenes, Athanasios; Committee Member: Sambanis, Athanassios. Part of the SMARTech Electronic Thesis and Dissertation Collection.
Pourmand, Payam. "NMR detection of liquid dynamics in porous matrices." Thesis, KTH, Skolan för kemivetenskap (CHE), 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-145864.
Full textZhang, Fei. "Adsorption of Small Molecules in Advanced Material Systems." Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/89917.
Full textDoctor of Philosophy
Adsorption is a ubiquitous phenomenon that plays key roles in numerous applications including molecule separation, energy storage, catalysis, and lubrications. Since adsorption is sensitive to molecular details of adsorbate molecule and adsorbent materials, it is often difficult to describe theoretically. Molecular modeling capable of resolving physical processes at atomistic scales is an effective method for studying adsorption. In this dissertation, the adsorption of small molecules in three emerging materials systems: porous liquids, room-temperature ionic liquids, and atomically sharp electrodes immersed in aqueous electrolytes, are investigated to understand the physics of adsorption as well as to help design and optimize these materials systems. Thermodynamics and kinetics of gas storage in the recently synthesized porous liquids (crown-ether-substituted cage molecules dispersed in an organic solvent) were studied. Gas molecules were found to store differently in cage molecules with gas storage capacity per cage in the following order: CO2>CH4>N2. The cage molecules show selectivity of CO2 over CH4/N2 and demonstrate capability in gas separation. These studies suggest that porous liquids can be useful for CO2 capture from power plants and CH4 separation from shale gas. The effect of adsorbed water on the three-dimensional structure of ionic liquids [BMIM][Tf2N] near mica surfaces was investigated. It was shown that water, as a dielectric solvent and a molecular liquid, can alter layering and ordering of ions near mica surfaces. vi A three-way coupling between the self-organization of ions, the adsorption of interfacial water, and the electrification of the solid surfaces was suggested to govern the structure of ionic liquid near solid surfaces. The effects of electrode charge and surface curvature on adsorption of N2 molecules near electrodes immersed in water were studied. N2 molecules are enriched near neutral electrodes. Their enrichment is enhanced as the electrode becomes moderately charged but is reduced when the electrode becomes highly charged. Near highly charged electrodes, the amount of N2 molecules available for electrochemical reduction is an order of magnitude higher near spherical electrodes with radius ~1nm than near planar electrodes. The underlying molecular mechanisms are elucidated and their implications for development of electrodes for electrochemical reduction of N2 are discussed.
Tomar, Vikas. "Atomistic modeling of the AL and FE2O3 material system using classical molecular dynamics." Available online, Georgia Institute of Technology, 2005, 2005. http://etd.gatech.edu/theses/available/etd-10172005-130638/.
Full textSathya Hanagud, Committee Member ; Min Zhou, Committee Chair ; David McDowell, Committee Member ; Jianmin Qu, Committee Member ; Naresh Thadhani, Committee Member ; Karl Jacob, Committee Member. Vita. Includes bibliographical references.
Atlar, Sibel. "Modelling Part Dynamicsin Machining Processes Considering Material Removal." Master's thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/12609154/index.pdf.
Full textis used. The frequency response functions of workpiece are calculated by using the computer program developed in this thesis, and are compared with the ones found by MSC. Marc©
. The stability lobe diagram of the system is obtained by combining the FRFs of the tool with those of the workpiece. The effects of the dynamic of the workpiece on the stability lobe diagrams are studied extensively by using the results of case studies presented in this thesis. In order to increase productivity, minimum chatter-free machining times are also calculated for different cases. For this purpose the effects of the different radial depth of cuts and different cutting strategies on the stability and the machining time are examined with various case studies.
Koči, Love. "Studies of Material Properties using Ab Initio and Classical Molecular Dynamics." Doctoral thesis, Uppsala universitet, Kondenserade materiens teori (Fysik IV), 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8626.
Full textDunn, A. "A molecular dynamics study of diamond as a plasma facing material for fusion." Thesis, University College London (University of London), 2011. http://discovery.ucl.ac.uk/1136851/.
Full textTomar, Vikas. "Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics." Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7502.
Full textSalahshoor, Pirsoltan Hossein. "Nanoscale structure and mechanical properties of a Soft Material." Digital WPI, 2013. https://digitalcommons.wpi.edu/etd-theses/924.
Full textSwoger, Maxx Ryan. "Computational Investigation of Material and Dynamic Properties of Microtubules." University of Akron / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1532108320185937.
Full textStoian, Razvan. "Investigations of the dynamics of material removal in ultrashort pulsed laser ablation of dielectrics." [S.l.] : [s.n.], 2000. http://www.diss.fu-berlin.de/2001/67/index.html.
Full textBrading, Melanie Gayle. "The influence of fluid dynamics and surface material on pure and binary culture biofilms." Thesis, University of Exeter, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.307314.
Full textZimmermann, Dominik. "Material forces in finite inelasticity and structural dynamics topology optimization, mesh refinement and fracture /." [S.l. : s.n.], 2008. http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-34667.
Full textBrockmann, Tobias H. "Theory of adaptive fiber composites from piezoelectric material behavior to dynamics of rotating structures." Dordrecht Heidelberg London New York, NY Springer, 2009. http://d-nb.info/997517948/34.
Full textArepalli, Uma Maheswar. "A Study of Moisture Induced Material Loss of Hot Mix Asphalt (HMA)." Digital WPI, 2017. https://digitalcommons.wpi.edu/etd-dissertations/409.
Full textDeng, Haiyan. "Analysis and Synthesis of Fixturing Dynamic Stability in Machining Accounting for Material Removal Effect." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/14038.
Full textFu, Kai. "Growth Dynamics of Semiconductor Nanostructures by MOCVD." Doctoral thesis, KTH, Teoretisk kemi (stängd 20110512), 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-11447.
Full textQC 20100713
Buzogany, Raquel Froese. "Modelagem da convergência de materiais em desastres por meio de dinâmica de sistemas." Universidade de São Paulo, 2017. http://www.teses.usp.br/teses/disponiveis/3/3148/tde-13042017-111909/.
Full textThe number of disasters is increasing each year and the amount of people affected by them is also getting bigger. Material convergence, which is the influx of large amounts of material to the disaster site, is observed in many events and has a large impact on humanitarian operations; in particular in humanitarian logistics processes, such as transportation, processing and distribution of necessary items to assist victims. Due to various negative effects of the convergence - for example, the use of human resources in non-core tasks and the longer delay for priority material distribution - it is necessary to study the factors that influence it and how its consequences affect the system. In this way, the method of system dynamics was used to develop a model that allows, through the analysis of several scenarios, to reach a better understanding about the phenomenon. The model, besides allowing to test policies approached in the literature, also provides a simulation for the preparation in real disasters and, in the academic scope, it is the first model of material convergence to integrate both quantitative and qualitative variables and to provide a dynamic analysis. Based on the baseline scenario, the case of the floods in São Luiz do Paraitinga in 2010, 13 scenarios were simulated to identify which policies would increase the amount of priority material distributed to meet the needs of the victims. Analyzing the base scenario there were found bottlenecks both in the transportation and the distribution of material and, as the sensitivity analysis was restricted to only one policy, the generalization of the presented work has been limited. In implementing policies one by one, it is observed that the non-admission of non-priority material achieves the best results, followed by the policy of reallocating human resources to processing priority material. In the case of mixed policies, admission control with greater availability of resources is the most prominent scenario in assisting victims.
Lutfurakhmanov, Artur. "Fluid Dynamics of Material Micro-Deposition: Capillary-Based Droplet Deposition and Aerosol-Based Direct-Write." Diss., North Dakota State University, 2012. https://hdl.handle.net/10365/26820.
Full textBergh, Magnus. "Interaction of Ultrashort X-ray Pulses with Material." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8274.
Full textKappiyoor, Ravi. "Mechanical Properties of Elastomeric Proteins." Diss., Virginia Tech, 2014. http://hdl.handle.net/10919/54563.
Full textPh. D.
Lee, Seung Han. "Material property estimation method using a thermoplastic pyrolysis model." Link to electronic thesis, 2005. http://www.wpi.edu/Pubs/ETD/Available/etd-121905-033150/.
Full textKeywords: material property; thermometer; cone calorimeter; finite difference method; thermoplastic; pyrolysis model; fire dynamics simulators Includes bibliographical references. (p.162-163)
Aeberhard, Philippe C. "Computational modelling of structure and dynamics in lightweight hydrides." Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:bfaf28b1-da03-4ce9-8577-5e8c18eb05ae.
Full textKraus, Zachary. "Computational tools for preliminary material design of metals and polymer-ceramic nano composites." Diss., Georgia Institute of Technology, 2014. http://hdl.handle.net/1853/51795.
Full textWalters, Thomas E. "Development Of A Smart Material Electrohydrostatic Actuator Considering Rectification Valve Dynamics And In Situ Valve Characterization." The Ohio State University, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=osu1211996027.
Full textLarson, John P. "Design of a Magnetostrictive-Hydraulic Actuator Considering Nonlinear System Dynamics and Fluid-Structure Coupling." The Ohio State University, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=osu1402566309.
Full textESTEVES, ARMANDO M. "Modelamento do contínuo de simulações micromecânicas com base em novas teorias de comportamento plástico do material." reponame:Repositório Institucional do IPEN, 2005. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11277.
Full textMade available in DSpace on 2014-10-09T13:58:45Z (GMT). No. of bitstreams: 1 10556.pdf: 3868334 bytes, checksum: db3b8774b1e81550d9d9483f00d514f7 (MD5)
Tese (Doutoramento)
IPEN/T
Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN-SP
Nair, Arun Krishnan. "Modeling nonlinear material behavior at the nano and macro scales." Diss., Virginia Tech, 2008. http://hdl.handle.net/10919/28432.
Full textPh. D.
Stoian, Razvan. "Adaptive techniques for ultrafast laser material processing." Habilitation à diriger des recherches, Université Jean Monnet - Saint-Etienne, 2008. http://tel.archives-ouvertes.fr/tel-00352662.
Full textFontes, Yuri Correa. "Resposta ao desbalanço de rotor com absorvedor dinâmico rotativo com elemento viscoelástico." Universidade de São Paulo, 2015. http://www.teses.usp.br/teses/disponiveis/18/18149/tde-25072016-170222/.
Full textThe present work concerns the development, optimization and validation of a finite element model of a dynamic vibration absorber using a viscoelastic material as the damping component. The dynamic absorber consists of a ring of viscoelastic material interposed between two rings of steel, which is fixed to the free end of a rotary system represented by a flexible shaft supported by two bearings, on which are fixed two discs equally spaced in the center of both bearings. The finite element model of the rotating system is validated with experimental data from the actual model and its critical speeds are determined based on the Campbell diagram and in its response to the imbalance. The initial model of the dynamic absorber is replicated from a model of the literature and the responses to an impulse excitation are compared. The developed model matches the literature one for frequencies up to 600 Hz, range comprising the critical speeds to be damped. The absorber\'s optimization is accomplished through variations of its geometry and influence curves of each parameter over its natural frequencies are drawn. Based on these curves, combined influence analyzes of the geometrical parameters over such frequencies are performed. From the results obtained, it can be seen the possibility of achieving a model that acts on specific bending modes of the rotation system, reducing the vibration amplitudes of the critical speeds corresponding to each mode. Once obtained the dynamic absorbers models corresponding to the first two modes of vibration of the rotatative system, both models are coupled to the system and it is observed great reduction of the amplitude of the first bending mode peaks, while the second mode suffer low peaks reduction.
Hedman, Stefan. "Smooth and non-smooth approaches to simulation of granular matter." Thesis, Umeå universitet, Institutionen för fysik, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-50584.
Full textBrockmann, Tobias H. [Verfasser]. "Theory of adaptive fiber composites : from piezoelectric material behavior to dynamics of rotating structures / Tobias H. Brockmann." Dordrecht, 2009. http://d-nb.info/997517948/34.
Full textAladool, Azzam Salahuddin Younus. "Investigation of crystallization dynamics in phase-change material using the Master rate equation at ultrafast heating rates." Thesis, University of Exeter, 2017. http://hdl.handle.net/10871/29434.
Full textVolpi, Silvia. "High-fidelity multidisciplinary design optimization of a 3D composite material hydrofoil." Diss., University of Iowa, 2018. https://ir.uiowa.edu/etd/6325.
Full textMusuva, Mutinda. "The multiscale wavelet finite element method for structural dynamics." Thesis, Brunel University, 2015. http://bura.brunel.ac.uk/handle/2438/12468.
Full textYang, Xiaofan. "Multi-scale simulation of filtered flow and species transport with nano-structured material." Diss., Manhattan, Kan. : Kansas State University, 2010. http://hdl.handle.net/2097/4271.
Full textZimmermann, Dominik [Verfasser]. "Material forces in finite inelasticity and structural dynamics : topology optimization, mesh refinement and fracture / vorgelegt von Dominik Zimmermann." Stuttgart : Inst. für Mechanik (Bauwesen), 2008. http://d-nb.info/997054255/34.
Full text