Dissertations / Theses on the topic 'Design calculations'
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Hadi, M. N. S. "Calculation processing : A system for the manipulation of engineering design calculations." Thesis, University of Leeds, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234767.
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Olofsson, Erik. "Chassis calculations for Frame design." Thesis, Linköpings universitet, Mekanik och hållfasthetslära, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-121848.
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This is a Masters Thesis report of a project carried out at Scania AB in Södertälje. The project concerns rationalizing Chassis calculations for use in truck Frame design. The subject for analysis is a six-wheeled articulated truck, and the load cases under study is Lateral Loading, Frame Torsion and Vertical Load on Kingpin. Making robust deformation and stress models with a calculation time sufficiently short and accuracy consistently high for efficient design work is an arduous task. This report presents several approaches to tackle this type of problem. By means of simplifying contemporary modeling approaches and methods and automating the setup process, a method that enables short calculation iterations on a chassis frame of a truck is achieved. This is done using the Catia GAS framework in conjunction with several other licences commonly used by designers.
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Li, Sa. "Materials Design from ab initio Calculations." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4274.
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Strömberg, Eric. "Faster Optimal Design Calculations for Practical Applications." Thesis, Uppsala universitet, Institutionen för farmaceutisk biovetenskap, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-150802.
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PopED is a software developed by the Pharmacometrics Research Group at the Department of Pharmaceutical Biosiences, Uppsala University written mainly in MATLAB. It uses pharmacometric population models to describe the pharmacokinetics and pharmacodynamics of a drug and then estimates an optimal design of a trial for that drug. With optimization calculations in average taking a very long time, it was desirable to increase the calculation speed of the software by parallelizing the serial calculation script. The goal of this project was to investigate different methods of parallelization and implement the method which seemed the best for the circumstances.The parallelization was implemented in C/C++ by using Open MPI and tested on the UPPMAX Kalkyl High-Performance Computation Cluster. Some alterations were made in the original MATLAB script to adapt PopED to the new parallel code. The methods which where parallelized included the Random Search and the Line Search algorithms. The testing showed a significant performance increase, with effectiveness per active core rangingfrom 55% to 89% depending on model and number of evaluated designs.
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Elkelany, Khaled. "Design Of Enhanced Piezoelectric Materials From Quantum Chemical Calculations." Thesis, Pau, 2016. http://www.theses.fr/2016PAUU3001/document.
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Une analyse exhaustive de la piézoélectricité a été réalisée par la modélisation moléculaire basée sur l'application des principes de la mécanique quantique. La calibration de la méthode et des paramètres du calcul est d'abord examinée en comparant les résultats calculés concernant les oxydes de silicium et de Germanium à leurs homologues expérimentaux. Ensuite, les paramètres microscopiques qui influencent chaque contribution de cette propriété macroscopique de réponse sont distinctement rationalisés. Enfin, après la rationalisation de la propriété piézoélectrique, la conception de matériaux montrant un effet piézoélectrique élevé a été tentée. Nous avons montré que la grande piézoélectricité induite par un dopage dans le plan du graphène tendra vers une valeur unique, ni nulle ni infinie, et de façon indépendante de la nature physique ou chimique particulière du défaut. L'induction d'une piézoélectricité hors du plan du graphène en brisant sa planéité selon la direction-z est également étudiée. La réponse piézoélectrique obtenue est largement améliorée par rapport à la limite finie de la piézoélectricité dans le plan, mais aux grandes concentrations du défaut seulement. En effet, contrairement à la composante dans le plan de la piézoélectricité, la composante hors du plan, dépend de la nature du défaut et diminue jusqu'à tendre vers zéro à dilution infinieAn exhaustive analysis of the technologically important piezoelectric phenomena is here done by applying quantum chemical simulations. At first, the calibration of the assumed computational scheme is examined by comparing our calculated piezoelectric properties of the well-known piezoelectric quartz to their experimental counterparts. Secondly, the microscopic parameters that influence each contribution of piezoelectric macroscopic property are distinctly rationalized. After the rationalization of the piezoelectric property, the design of materials that exhibiting a high piezoelectric effect has been attempted. It has been shown that a large in-plane piezoelectricity induced in graphene by doping can be acquired by including any in-plane defect(s). Moreover, in the limit of vanishing defect concentration, the piezoelectric response tends toward a unique value, neither null nor infinite, regardless of the particular chemical or physical nature of the defect. The induction of an out-of-plane piezoelectricity in graphene by breaking its planarity through the non-periodic z-direction is stated, where the obtained piezoelectric response is largely improved compared to the finite in-plane piezoelectric limit, at however higher concentration of the defect. Contrarily to what has been discussed for the in-plane piezoelectric effect, the out-of-plane one eventually vanishes as far as the limit of infinite defect dilution is reached, and so it relies ultimately on the nature of the defect
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Aldeghi, Matteo. "Free energy calculations in drug design : application to bromodomains." Thesis, University of Oxford, 2016. https://ora.ox.ac.uk/objects/uuid:d36a729c-4385-408d-9a21-92dfa339cf3c.
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Computer simulations of biomolecules have been improving at a pace that is faster than Moore's law for microprocessors in the last few decades. Thanks to advances in theory, hardware, and algorithms it is increasingly possible to study biological processes at relevant spatial and temporal resolutions, and to exploit simulation for quantitative predictions. One area that can potentially benefit greatly from such computational predictions is that of drug discovery. Since the inception of the concept of rational drug design, the prediction of how tightly an organic molecule binds to a macromolecular partner has been one of the chief objectives of computational chemistry. Computers already play a fundamental support role during the drug discovery process, and today many novel approaches that aim at studying the details of drug binding and predicting binding affinity are being actively investigated. In this thesis, I report a series of studies that aim to evaluate the potential utility of free energy calculations based on molecular simulations for drug design. In particular, I focus on the prediction of small-molecule binding affinities to the epigenetic target of bromodomains. Bromodomains are small protein modules that have been found in 46 human proteins involved in gene regulation. Given their role in various diseases, in particular cancer and inflammation, a number of bromodomain inhibitors are currently being investigated both in the laboratory and the clinic. Here, it is shown how thorough calculations based on explicit-solvent simulations and all-atom force fields can accurately reproduce binding free energies for this protein family. Rigorous free energy calculations are also compared to more approximate methods based on the post-processing of the simulation trajectories in implicit solvent. Finally, a recently proposed method for the estimation of water binding free energy is employed to study water displaceability from bromodomain binding pockets.
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Broderick, Scott R. "Statistical learning for alloy design from electronic structure calculations." [Ames, Iowa : Iowa State University], 2009. 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:3369815.
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Anpalahan, Peethamparam. "Design of transverse flux machines using analytical calculations&finite element Analysis." Licentiate thesis, KTH, Electrical Systems, 2001. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-1227.
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Wang, Ziyun. "Towards the rational design of heterogeneous catalysts using density functional theory calculations." Thesis, Queen's University Belfast, 2015. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.696331.
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Heterogeneous catalysis is crucial in many areas of the chemical and energy industries, which was estimated to be used in 90% of all chemical processes despite its importance, most catalysts were found using trial-and-error approaches. Methods that can design new catalysts rationally is highly necessary. One promising approach is to take the advantage of the increasing computational capacity and the state-of-the-art calculation method to screen and design new heterogeneous catalysts. Such an approach requires not only a deep understanding of reaction mechanisms and activities in heterogeneous catalysis, but also rational design schemes. Therefore, in the first half part of the thesis, first-principle calculations within the Density Functional Theory (DFT) framework together with micro-kinetic modelling were used to understand the mechanisms and activities in heterogeneous catalysis. In the second half, some design schemes were proposed including the multi-phase surface design, gradient based optimization and inverse design using activity contribution equation.
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Ross, Gregory A. "Improving rapid affinity calculations for drug-protein interactions." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:62ccfb5e-10f1-40ec-9a2b-936277944d87.
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The rationalisation of drug potency using three-dimensional structures of protein-ligand complexes is a central paradigm in medicinal research. For over two decades, a major goal has been to find the rules that accurately relate the structure of any protein-ligand complex to its affinity. Addressing this problem is of great concern to the pharmaceutical industry, which uses virtual screens to computationally assay up to many millions of compounds against a protein target. A fast and trustworthy affinity estimator could potentially streamline the drug discovery process, reducing reliance on expensive wet lab experiments, speeding up the discovery of new hits and aiding lead optimization. Water plays a critical role in drug-protein interactions. To address the often ambiguous nature of water in binding sites, a water placement method was developed and found to be in good agreement with X-ray crystallography, neutron diffraction data and molecular dynamics simulations. The method is fast and has facilitated a large scale study of the statistics of water in ligand binding sites, as well as the creation of models pertaining to water binding free energies and displacement propensities, which are of particular interest to medicinal chemistry. Structure-based scoring functions employing the explicit water models were developed. Surprisingly, these attempts were no more accurate than the current state of the art, and the models suffered from the same inadequacies which have plagued all previous scoring functions. This suggests a unifying cause behind scoring function inaccuracy. Accordingly, mathematical analyses on the fundamental uncertainties in structure-based modelling were conducted. Using statistical learning theory and information theory, the existence of inherent errors in empirical scoring functions was proven. Among other results, it was found that even the very best generalised structure-based model is significantly limited in its accuracy, and protein-specific models are always likely to be better. The theoretical framework developed herein hints at modelling strategies that operate at the leading edge of achievable accuracy.
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Stampfer, Marcel. "Magnetic and mechanical design calculations of a 4-5 Tesla superconducting wavelength shifter /." [S.l.] : [s.n.], 1995. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=11010.
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Skogberg, Ronny. "Railway power supply system models for static calculations in a modular design implementation." Thesis, KTH, Elektriska energisystem, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-170726.
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Several previous theses and reports have shown that voltage variations, and other types of supply changes, can influence the performance and movements of trains. As part of a modular software package for railway focused calculations, the need to take into account for the electrical behavior of the system was needed, to be used for both planning and operational uses. In this thesis, different static models are presented and used for train related power flow calculations. A previous model used for converter stations is also extended to handle different configurations of multiple converters. A special interest in the train type IORE, which is used for iron ore transports along Malmbanan, and the power systems influence to its performance, as available modules, for mechanical calculations, in the software uses the same train type. A part of this project was to examine changes in the power systems performance if the control of the train converters were changed, both during motoring and regenerative braking. A proposed node model, for the static parts of a railway power system, has been used to simplify the building of the power system model and implementation of the simulation environment. From the results it can be concluded that under normal conditions, for the used train schedule, the voltage variation should not restrict the trains traction performance. It can also be seen from the results that a more optimized power factor control with a higher regenerative brake power or generation of reactive power could be used to limit the need for investments in infrastructure or to increase the traffic for a given system layout.I ett flertal tidigare undersökningar och rapporter har konstaterats att spänningsvariationer, och andra förändringar, hos strömförsörjningen till tåg kan påverka dess prestanda och dess färd längs rälsen. Som en del av ett modulärt programpaket för tågrelaterade beräkningar uppstod därför ett behov av elkraftsberäkningar, både för planering och operativ drift. I denna rapport sammanställs och används ett antal olika statiska modeller för tågrelaterade effektflödesberäkningar. Modellen för omformarstationer har även utökats för att hantera konfigurationer då olika typer av omformare används. Ett särskilt intresse för tågtypen IORE, som används för malmtransporter längs Malmbanan, och dess påverkan av en förändrad strömförsörjning, har funnits då olika typer av mekaniska beräkningar för denna tågtyp utförs i andra befintliga moduler. En del av projektet bestod i att undersöka förändringar i elförsörjningen, på grund av en ändrad styrning av tågens omformare, både vid återmatning och motordrift. En föreslagen nodmodell för den statiska delen av elnätet har använts för att förenkla elsystemsmodellen och uppbyggnaden av simuleringsmiljön. Av resultaten från simuleringarna kan man anta att under normala förhållanden, och med det använda körschemat, bör ej spänningen vara en begränsande faktor för tågens drift. Övriga simuleringar visar också att en mer optimerad effektfaktor för högre återmatad bromseffekt eller för generering av reaktiv effekt kan användas för att slippa investeringar i infrastrukturen, eller för att utöka trafikmängden för ett givet system.
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Hu, Lihong, and 胡麗紅. "Application of neural networks in the first principles calculations and computer-aided drug design." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2004. http://hub.hku.hk/bib/B45014796.
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Ozhamam, Murat. "Accuracy And Efficiency Improvements In Finite Difference Sensitivity Calculations." Master's thesis, METU, 2007. http://etd.lib.metu.edu.tr/upload/12609128/index.pdf.
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Accuracy of the finite difference sensitivity calculations are improved by
calculating the optimum finite difference interval sizes. In an aerodynamic inverse
design algorithm, a compressor cascade geometry is perturbed by shape functions
and finite differences sensitivity derivatives of the flow variables are calculated with
respect to the base geometry flow variables. Sensitivity derivatives are used in an
optimization code and a new airfoil is designed verifying given design
characteristics. Accurate sensitivities are needed for optimization process. In order to
find the optimum finite difference interval size, a method is investigated.
Convergence error estimation techniques in iterative solutions and second derivative
estimations are investigated to facilitate this method. For validation of the method,
analytical sensitivity calculations of Euler equations are used and several
applications are performed.
Efficiency of the finite difference sensitivity calculations is improved by
parallel computing. Finite difference sensitivity calculations are independent tasks in
an inverse aerodynamic design algorithm and can be computed separately.
Sensitivity calculations are performed on parallel processors and computing time is
decreased.
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Djayapertapa, Lesmana. "A computational method for coupled aerodynamic-structural calculations in unsteady transonic flow with active control study." Thesis, University of Bristol, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.341506.
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Hu, Lihong. "Application of neural networks in the first principles calculations and computer-aided drug design /." View the Table of Contents & Abstract, 2004. http://sunzi.lib.hku.hk/hkuto/record/B30575503.
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Umeda, Yuji. "Rational design of dielectric oxide materials through first-principles calculations and machine-learning technique." Doctoral thesis, Kyoto University, 2020. http://hdl.handle.net/2433/245844.
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京都大学0048
新制・課程博士
博士(工学)
甲第22159号
工博第4663号
新制||工||1727(附属図書館)
京都大学大学院工学研究科材料工学専攻
(主査)教授 田中 功, 教授 中村 裕之, 教授 邑瀬 邦明
学位規則第4条第1項該当
Doctor of Philosophy (Engineering)
Kyoto University
DFAM
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Calabrò, Gaetano. "Accelerating molecular simulations : implication for rational drug design." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/16439.
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The development and approval of new drugs is an expensive process. The total cost for the approval of a new compound is on average 1.0 - 1.2 billion dollars and the entire process lasts about 12 - 15 years. The main difficulties are related to poor pharmacokinetics, lack of efficacy and unwanted side effects. These problems have naturally led to the question if new and alternative methodologies can be developed to find reliable and low cost alternatives to existing practices. Nowadays, computer-assisted tools are used to support the decision process along the early stages of the drug discovery path leading from the identification of a suitable biomolecular target to the design/optimization of drug-like molecules. This process includes assessments about target druggability, screening of molecular libraries and the optimization of lead compounds where new drug-like molecules able to bind with sufficiently affinity and specificity to a disease-involved protein are designed. Existing computational methods used by the pharmaceutical industry are usually focused on the screening of library compounds such as docking, chemoinformatics and other ligand-based methods to predict and improve binding affinities, but their reliable application requires improvements in accuracy. New quantitative methods based on molecular simulations of drug binding to a protein could greatly improve prospects for the reliable in-silico design of new potent drug candidates. A common parameter used by medicinal chemists to quantify the affinity between candidate ligands and a target protein is represented by the free energy of binding. However, despite the increased amount of structural information, predicting binding free energy is still a challenge and this technique has found limited use beyond academia. A major reason for limited adoption in the industry is that reliable computer models of drug binding to a protein must reproduce the change in molecular conformations of the drug and protein upon complex formation and this includes the correct modelling of weak non-covalent interactions such as hydrogen bonds, burials of hydrophobic surface areas, Van der Waals interactions, fixations of molecular degrees of freedom solvation/desolvation of polar groups and different entropy contributions related to the solvent and protein interactions. For several classes of proteins these phenomena are not easy to model and often require extremely computationally intensive simulations. The main goal of the thesis was to explore efficient ways of computing binding affinities by using molecular simulations. With this aim, novel software to compute relative binding free energies has been developed. The implementation is based on alchemical transformations and it extended a preexisted piece of software Sire, a molecular modeling framework, by using the OpenMM APIs to run fast molecular dynamics simulations on the latest GPGPU technology. This new piece of software has equipped the scientific community with a flexible and fast tool, not only to predict relative binding affinities, but also a starting point to develop new sampling methods for instance hybrid molecular dynamics and Monte Carlo. The implementation has been validated on the prediction of relative hydration free energy of small molecules, showing good agreement with experimental data. In addition, non-additive effects to binding affinities in series of congeneric Thrombin inhibitors were investigated. Although excellent agreement between predicted and experimental relative binding affinities was achieved, it was not possible to accurately predict the non-additivity levels in most of the examined inhibitors, thus suggesting that improved force fields are required to further advance the state-of-the art of the field.
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Martinovic, Zarko. "Design a PV – system for a large building." Thesis, Högskolan i Gävle, Avdelningen för bygg- energi- och miljöteknik, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:hig:diva-17539.
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This study presents the complete design of a photovoltaic system in commercial buildings. PV installation for Multiarena was primary used for internal consumption, rest of production will be sent according intentions in grid. Project presents theoretical demand calculations for building consumptions. According to the theoretical calculations numerical study has been provided by software Indoor Climate and Energy program. Detailed electric optimization strategy can be founded in project description, as well as the sizing of the photovoltaic installation and economic and financial issues related to it. Study presents several models for photovoltaic system and their economic analysis. Environmental issues can be founded at the end of the study.
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Aumond, João Paulo. "A model for the calculations of solvent effects on reaction rates for process design purposes." Thesis, Massachusetts Institute of Technology, 1999. http://hdl.handle.net/1721.1/85280.
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Manara, Richard. "Free energy calculations of DNA translocation through protein nanopores and nanopore design for DNA sequencing." Thesis, University of Southampton, 2015. https://eprints.soton.ac.uk/374791/.
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DNA sequencing has vastly opened up the world of molecular biology, leading to new areas of interest, especially in medical research. Unfortunately the methods of DNA sequencing have only ever seen gradual improvements, as Sanger sequencing is still very much the norm despite its high cost and slow speed. Nanopores present an exciting opportunity for DNA sequencing, however, despite the concept being presented in 1996 several problems have prevented the creation of a publicly available sequencing device. The two main focuses of research into nanopores so far have been improving the resolution between bases and the slowing down of DNA translocation through the pore so modern ammeters can read the sequence accurately. The simulation work presented in this thesis largely focuses on the energetics associated with DNA translocation. This is performed in several parts; an investigation into the probability of pore entry, study into the free energy of translocation for two proteins in addition to solvent contribution to this free energy, finally a theoretical project was undertaken to investigate bottom up nanopore design.
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Piccioli, Alberto. "Thermal comfort visualizations and design strategies on web-based tool for ashrae 55 standard calculations." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2013. http://amslaurea.unibo.it/5486/.
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Chang, Lei. "Experimental Data on Fire-Resistance Behavior of Reinforced Concrete Structures with Example Calculations." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2012. http://amslaurea.unibo.it/3003/.
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This thesis selects concrete, steel and their relation as research subjects, mainly commentary and discusses the property changes of steel and concrete materials under and after high temperature.The differences and comparisons of reasearch methods and ways between different researchers and different papers,particularly for chinese researches and chinese papers,and partly for comparison between chinese papers methods and Euro-Amercian papers methods about Fire Resistance Behavior of Reinforced Concrete will be summarized and analyzed.The researches on fire-resistance behavior of reinforced concrete become more and more important all over the world. And I would find differences between Chinese researches results, between Chinese researches results and other countries researches results.
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Sovják, Richard. "Design a ergonomie ručního nářadí." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2021. http://www.nusl.cz/ntk/nusl-443159.
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The diploma thesis is focused on the analysis of the power tools ergonomics and also on the economic impact on a sick employee in the Czech Republic. It presents the results of the characteristics of hand tools in terms of their design, usage positions and handling. It introduces current legislation and ergonomic methods, including the newly designed visual tool AAL. The tool enables ergonomic analysis of positional rotation of the limbs, torso and neck, including the input of strength and muscle parameters. AAL is integrated into Excel software with the possibility of integrating data from Rhinoceros software and the Grasshopper module, which automatically generates data. The analysis is based on 3D scans of 144 power tools that are divided into 11 groups. It analyzes 13 typical diseases and their economic impacts. From an economic point of view, the costs per sick employee are almost 57% higher compared to a healthy employee. The author's design of the ergonomic part of the tool is also part of the thesis.
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Armiento, Rickard. "The many-electron energy in density functional theory : from exchange-correlation functional design to applied electronic structure calculations." Doctoral thesis, Stockholm : AlbaNova Universitetscentrum, Skolan för Teknikvetenskap, Kungliga Tekniska högskolan, 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-428.
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Jones, Matthew James. "Bayes linear strategies for the approximation of complex numerical calculations arising in sequential design and physical modelling problems." Thesis, Durham University, 2017. http://etheses.dur.ac.uk/12529/.
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In a range of different scientific fields, deterministic calculations for which there is no analytic solution must be approximated numerically. The use of numerical approximations is necessary, but introduces a discrepancy between the true solution and the numerical solution that is generated. Bayesian methods are used to account for uncertainties introduced through numerical approximation in a variety of situations. To solve problems in Bayesian sequential experimental design, a sequence of complex integration and optimisation steps must be performed; for most problems, these calculations have no closed-form solution. An approximating framework is developed which tracks numerical uncertainty about the result of each calculation through each step of the design procedure. This framework is illustrated through application to a simple linear model, and to a more complex problem in atmospheric dispersion modelling. The approximating framework is also adapted to allow for the situation where beliefs about a model may change at certain points in the future. Where ordinary or partial differential equation (ODE or PDE) systems are used to represent a real-world system, it is rare that these can be solved directly. A wide variety of different approximation strategies have been developed for such problems; the approximate solution that is generated will differ from the true solution in some unknown way. A Bayesian framework which accounts for the uncertainty induced through numerical approximation is developed, and Bayes linear graphical analysis is used to efficiently update beliefs about model components using observations on the real system. In the ODE case, the framework is illustrated through application to a Lagrangian mechanical model for the interaction between a set of ringing bells and the tower in which they are hung; in the PDE case, the framework is illustrated through application to the heat equation in one spatial dimension.
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Park, In-Hee. "Computational Simulations of Protein-Ligand Molecular Recognition via Enhanced Samplings, Free Energy Calculations and Applications to Structure-Based Drug Design." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1276745410.
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Kuonen, Oliver Dominik. "De novo design, molecular dynamics simulations and ab initio calculations as tools to investigate biological systems : a critical application of the Molecular Modeling approach in ligand design /." Zürich : ETH, 1997. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=12370.
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Барбаш, Марина. "Шляхи оптимізації створення дизайн-проекту при автоматизованому проектуванні." Thesis, Київський національний університет технологій та дизайну, 2021. https://er.knutd.edu.ua/handle/123456789/18146.
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Надано результати дослідження шляхів оптимізації створення ескізного та архітектурно-будівельного проектів, BIM-моделі інтер’єру, готової для погодження перепланування з замовником. Метою є створення системи ефективного проектування від володіння інструментами BIM-проектування до створення власного шаблону роботи. В ході дослідження визначено перелік чинників, що впливають на швидкість і якість проектування при створенні та редагуванні дизайн-проекту. Охарактеризована послідовність шляхів по скороченню часу на створення креслеників при розробці архітектурно-будівельного розділу дизайн-проекту.The results of the study of ways to optimize the creation of draft and architectural and construction projects, a BIM-model of the interior, ready for reconciliation of redevelopment with the customer, are presented. The goal is to create an efficient design system from mastering BIM design tools to creating your own work template. In the course of the study, a list of factors influencing the speed and quality of design when creating and editing a design project was determined. The sequence of ways to reduce the time for creating drawings in the development of the architectural and construction section of the design project is characterized.
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Rasmussen, Danne Rene, and danne@optusnet com au. "A Theoretical Approach to Molecular Design: Planar-Tetracoordinate Carbon." The Australian National University. Research School of Chemistry, 2000. http://thesis.anu.edu.au./public/adt-ANU20010702.115616.
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A number of novel hydrocarbon cage systems have been designed and characterized using ab initio molecular orbital calculations at the MP2 and B3-LYP levels. In particular,equilibrium structures for five families of molecules, hemialkaplanes, hemispiroalkaplanes, alkaplanes, spiroalkaplanes and dimethanospiroalkaplanes, have been examined in detail with the aim of designing a saturated hydrocarbon with a planar-tetracoordinate carbon atom and with a view to identifying appropriate synthetic targets.
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The hemialkaplanes and hemispiroalkaplanes are constructed from a spiropentane or neopentane subunit, respectively, which is capped by a cyclic hydrocarbon. The hemispiroalkaplanes are predicted to contain a pyramidal-tetracoordinate carbon atom possessing a lone pair of electrons. Protonation at this apical carbon atom is found to be highly favorable, resulting in a remarkably high basicity for a saturated hydrocarbon. The proton affinities of the hemispiroalkaplanes are calculated to be more than 1170 kJ mol[superscript -1] , even greater than those for the diamine "proton sponges".
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The alkaplanes and the spiroalkaplanes, which are constructed by bicapping a neopentane or spiropentane subunit, respectively, with a pair of cyclic hydrocarbons, show unprecedented flattening of a tetracoordinate carbon atom. Linking the spiroalkaplane caps with methano bridges gives the dimethanospiroalkaplanes, two of which, dimethanospirooctaplane and dimethanospirobinonaplane, achieve exact planarity at the central carbon atom. They are the first neutral saturated hydrocarbons predicted to contain an exactly planartetracoordinate carbon atom. This has been achieved through structural constraints alone. The electronic structure at the central carbon atom results in a highest occupied molecular orbital corresponding to a p-type lone pair. Consequently, the adiabatic ionization energies for octaplane, spirooctaplane and dimethanospirooctaplane (approximately 5 eV) are predicted to be similar to those of lithium and sodium - incredibly low for a saturated hydrocarbon.
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Some consideration has been given to likely pathways for unimolecular decomposition for all species. Predicted structures, heats of formation and strain energies for all the novel hydrocarbons are also detailed. Tetramethylhemispirooctaplane and dimethanospirobinonaplane are identified as the preferred synthetic targets.
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Bandaru, Subrahmanyam. "Design of new Heusler-type thermoelectric materials : application to Fe₂VAl." Thesis, Montpellier, 2017. http://www.theses.fr/2017MONTT170/document.
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La demande d'une énergie durable et verte est très importante pour les gouvernements et les populations. De par l'augmentation rapide de la population humaine et l'industrialisation à l'échelle mondiale, c’est devenu un enjeu majeur. Une alternative à l’utilisation des combustibles fossiles qui peut être envisagée est l’utilisation, lorsque c’est possible, de dispositifs thermoélectriques. Ces derniers peuvent convertir la chaleur perdue, provenant de diverses sources, en énergie électrique. Cependant, les dispositifs thermoélectriques actuels sont limités en raison de leur faible efficacité, de la nature toxique des matériaux utilisés et de leurs coûts élevés. Le défi actuel dans ce domaine de recherche est de concevoir des matériaux hautement efficaces, respectueux de l'environnement et disponibles à des prix moins élevés. Parmi les matériaux thermoélectriques prometteurs pour la génération d'énergie, le composé Fe2VAl (matériau de la famille des composés Heusler), semble prometteur car il se comporte comme un semi-conducteur sur une large gamme de température et ce jusqu'à 1173 K. Néanmoins, la capacité thermoélectrique de ce composé est compromise par sa conductivité thermique élevée. L'objectif de cette thèse était de trouver de nouvelles stratégies afin d’améliorer l'efficacité thermoélectrique de Fe2VAll'aide de calculs ab initio et d'études expérimentales. Les calculs basés sur les premiers principes ont été effectués en utilisant le code informatique VASP (Vienna Ab-initio Simulation Package) basé sur la théorie de la fonctionnelle densité (DFT) avec comme but d’étudier la structure électronique du composé Fe2VAl. L'énergie de formation des défauts intrinsèques tels que les lacunes, les anti-sites et les défauts interstitiels, a été déterminée. Nous avons montré que la formation des défauts de type anti-sites est la plus probable. À l'aide du code BoltzTraP, basé sur la théorie du transport de Boltzmann dans l’approximation du temps de relaxation constant, les propriétés de transport électronique de Fe2VAl pur et contenant les défauts les plus favorables ont été calculées. La présence des différents défauts au sein du réseau n’entraine pas d'amélioration notable du coefficient de Seebeck. La conductivité thermique de réseau de Fe2VAl, à la fois sous forme pure et en présence des défauts d’anti-site les plus stables (AlV) a été analysée en utilisant les codes ShengBTE et almaBTE récemment développés. Uneamélioration significative du facteur de mérite (appelé ZT) est alors trouvée en présence de défauts de type anti-sites. Des composés Fe2VAl nanostructurés ont été synthétisés en parallèle par mécanosynthèse, autrement appelé broyage hauteénergie. Les éléments constitutifs sont broyés en ajoutant différentes proportions de chlorure de sodium afin d'obtenir des échantillons poreux, NaCl servant d’agent structurant. Les poudres sont ensuite lavées soigneusement pour éliminer les traces de NaCl et consolidées à l'aide de la technique de frittage flash SPS. L’utilisation de cette nouvelle voie pour structurer et introduire de la porosité dans les échantillons afin de diminuer la conductivité thermique est assez concluante. Nous obtenons une porosité d'environ 15 à 20% en présence de NaCl (contre environ 5% sans sel). L'efficacité thermoélectrique estremarquablement augmentée pour ces échantillons poreux. Néanmoins, les échantillons broyés contenant 15% de porosité présentent des valeurs de ZT plus élevées que les échantillons à plus forte porosité. Ainsi, il est crucial de contrôler et d’optimiser la porosité pour obtenir une plus grande efficacité thermoélectrique. Notre étude montre ainsi clairement que la performance thermoélectrique peut être améliorée en modifiant la stœchiométrie et la morphologie des échantillons.Mots clés : Fe2VAl, matériaux, composés Heusler, thermoélectricité, calculs ab initio, enthalpie de formation, défauts, mécanosynthèse, porositéThe requirement of a sustainable and green energy is increasing with the rapid rise in human population and industrialization. The traditional way of utilizing fossil fuels can be replaced by thermoelectric devices which can convert thewasted heat from various sources into electrical energy. However, the present day thermoelectric devices are limited due to their low efficiency, toxic nature and high costs. The current challenge in this field is to design highly efficient thermoelectric materials which are environment friendly and available at a reasonable price. Among promising thermoelectric materials forpower generation, the Heusler-type Fe2VAl attained a great attention due to its semiconducting nature over a wide temperature range up to 1173 K. Nonetheless, the thermoelectric use of this compound is jeopardized by its high thermalconductivity. The aim of this thesis was to find new strategies in enhancing the thermoelectric efficiency of Fe2VAl with the aid of ab initio calculations and experimental studies. First principles calculations have been performed using the computer code VASP (Vienna ab-initio Simulation Package) based on the Density Functional Theory (DFT) to study the electronic structure of the full Heusler compound Fe2VAl. The formation energy of the intrinsic point defects such as vacancies, antisites and interstitials is analyzed and antisite defects are found to be the most probable defects. With the aid of the BoltzTraP code based on the Boltzmann transport theory within the constant relaxation time approach, the electronic transport properties of Fe2VAl taking into account the effect of the most favorable defects have been calculated. The presenceof defects does not lead to a significant improvement of the Seebeck coefficient. The lattice thermal conductivities of Fe2VAl, both in pristine form and in presence of its most stable antisite defect (Al V) have been analyzed by ShengBTE and the recently developed code almaBTE. A significant enhancement of the figure of merit (also known as ZT) is found with the presence of antisite defects. Nanostructured Fe2VAl compounds have been synthesized in parallel by the ball milling technique. The constituent elements have been milled together with different contents of NaCl in order to obtain porous samples. The powders have been later washed thoroughly to remove the traces of NaCl. All the powders have been consolidated using Spark Plasma Sintering (SPS). This novel idea is quite successful in achieving a porosity of around 15–20% with NaCl whereas a porosity of ~5 % is found in the case of the samples without NaCl. The thermoelectric efficiency is enhanced remarkably in the porous samples. Nevertheless, the samples milled with 15 % porosity exhibit higher ZT valuesthan the samples with 20 % porosity. Thus, it is crucial to confine and control the porosity to obtain high thermoelectric efficiencies. Our study thus clearly shows that the thermoelectric performance can be enhanced by off-stoichiometry and the modification of the morphology of the samples.Key words: Fe2VAl, materials, Heusler compounds, thermoelectricity, ab initio calculations, formation enthalpy, defects, ball milling,porosity
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Härer, Bastian [Verfasser], and A. S. [Akademischer Betreuer] Müller. "Lattice design and beam optics calculations for the new large-scale electron-positron collider FCC-ee / Bastian Härer ; Betreuer: A.-S. Müller." Karlsruhe : KIT-Bibliothek, 2017. http://d-nb.info/1136660801/34.
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Tahmasebinia, Faham. "Numerical modelling of reinforced concrete slabs subject to impact loading." Access electronically, 2008. http://www.library.uow.edu.au/adt-NWU/public/adt-NWU20080716.152001/index.html.
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Ravipati, Venkata Raja Sekhar Reddy. "Design and modelling of boat landing for jacket platforms in the Adriatic sea." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2018.
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Boat landings on fixed offshore platforms are designed to absorb the impact energy from the boats approaching the platform for crew transfer. As the size and speed of operating boats vary, the design and maintenance of the boat landings become more challenging. Different oil and gas operators adopt different design criteria for the boat landing design. The objective of this study is to develop structural calculations and safety checks regarding a boat landing structure installed on an Offshore Platform in Canale di Sicilia. The useful international codes are ISO 19902 and to carry out the structural modeling by means of GT STRUDL program, which is widely used in Europe. Calculate the defined loads such as dead loads, live loads, wave loads and Impact loads. The design calculations and checks done as per the international codes.
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Albaldawi, Hisham, and Diana Kobbah. "Dimensionering av Traverskranbana." Thesis, Örebro universitet, Institutionen för naturvetenskap och teknik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-44910.
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Kranlaster som verkar på kranbanor varierar med tiden och kan inte behandlas som statiska laster, detta gör att en statisk beräkning inte är tillräckligt säker, därför bör kranbalkar utformas på så sett att den klarar av statiska såväl som dynamiska kranlaster. Arbetet valdes efter förstudier som gjordes på internet för att få grundläggande kunskap om ämnet. Informationen söktes på svenska, engelska och tyska för att kunna hitta relevanta och pålitliga källor som behandlar traverskranbanor enligt eurokod. Tack vare råd från Björn Åsted från Stålbyggnadsinstitutet (SBI), kunde en bok på tyska hittas. För att kunna jämföra resultaten används ett svenskt program CraneGirder EC3 under arbetet. Rapporten innehåller en beräkningsmodell för en valsad profil balk, beräkningar baserades på eurokod ekvationer och föreskrifter vilket var som dimensionerings underlag för arbetet. I denna rapport hänvisas hur en kranbana skall dimensioneras med hög utnyttjandegrad, ett antal kontroller gjordes för att säkerställa att balken och dess detaljer, såsom räl och svets är säkert utformade mot utmattning och deformation. Dimensioneringen utgick ifrån lastberäkningar för traverskranen. Handberäkningar visade hur olika kranlaster kan kombineras i lastgrupper för att åstadkomma högsta inverkan på balken, handberäknings resultat visade att HEB 280 och dimensioneringen dominerades enbart av lastgrupp 1 och 5. Med hjälp av beräkningsprogram stämde resultaten i hög grad överens med programmet men med några avvikelser. För den avgränsningen som antogs i arbetet verkade utmattningen inte ha en dominerande inverkan.Crane Loads acts on runways which varies with time and cannot be treated as static loads, this allows that the static estimation is not secure enough, therefore the crane runways should be designed in such terms that it can handle static as well as dynamic crane loads. The work was chosen after feasibility studies which were made on the internet to get basic knowledge on the subject. The information was sought in Swedish, English and German in order to find relevant and reliable sources which deal with overhead crane runway according to Eurocode. Thanks to advice from Björn Åsted from the Steel Construction Institute (SBI), a book in German was found. In order to compare the results, a Swedish software CraneGirder EC3 was used during the project. The report contains a calculation method for a rolled section girder, calculations were based on Eurocode equations and regulations which were the design basis for the project. The report refer to how a crane runway must be designed with a high utilization level, a number of controls were made to ensure that the beam and its details, such as rail and welding are surely designed to fatigue and deformation. The design was based on load calculations for the overhead crane. Traditional calculations showed how different crane loads can be combined in load groups to achieve the highest impact on the beam, calculations showed that HEB 280 and dimensioning dominated only by load group 1 and 5. With the help of calculation software the results were largely consistent with the program but with some differences. For the delimitation that was assumed in the project the fatigue seemed to have an effect especially on some small details like weld.
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Mejuto, Carlos. "Improved lumped parameter thermal modelling of synchronous generators." Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/4612.
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Within the existing available mix of numerical and analytical thermal analysis options, lumped parameter thermal modelling is selected as the operational backbone to develop an improved novel synchronous generator thermal modelling package. The objective is for the creation of a user friendly quick feedback tool, which can serve as a means to make quick machine design thermal calculations and answer customer queries quickly and reliably. Furthermore, thermally improved generator designs will allow for inevitable operational losses to be channelled away from the machine more efficiently. As a result, machine component temperatures will be reduced, allowing lower generator thermal ratings. The end result will be smaller, longer lasting, more efficient generators, with the ability to be adapted with greater ease to particular applications. With the contribution of selected numerical analysis techniques, mainly finite element analysis for the distribution of iron losses, the MySolver thermal modelling package is developed and presented in this thesis. It is this combination of numerical and analytical tools that improves synchronous generator thermal modelling accuracy, but ultimately it is the lumped parameter nature of the thermal models developed that makes MySolver succeed as a reliable quick feedback electrical machine thermal design tool, validated using experimental results for a wide range of operating conditions. The initial part of the thesis analyses the electrical machine thermal modelling techniques available today, indicating advantages and disadvantages associated with each one, and providing a rationale for the selection of lumped parameter modelling to be used by MySolver. The development of the synchronous generator lumped parameter thermal models is detailed, with examples on its construction presented. Subsequently, finite element analysis is utilised to predict the distribution of machine iron losses across the rotor and stator laminations, with the findings applied to MySolver. Furthermore, a study is performed into the lumped parameter discretisation level needed to effectively represent machine windings. MySolver is experimentally verified using experimental data from a fully instrumented synchronous generator and this data is also used to obtain further insight into the temperature distribution within the generator. In the final part results are evaluated and the use of MySolver for modelling and optimising electrical machines is discussed. Finally, appropriate conclusions on the work presented are drawn.
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Kapetanovic, Dzenan, and Azad Isa. "En jämförelse mellan handberäkningar och FEM-analys vid lastnedräkningar." Thesis, Örebro universitet, Institutionen för naturvetenskap och teknik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-62859.
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Detta examensarbete har utförts av två studenter som läser byggingenjörsprogrammet på Örebro universitet. Arbetet har titeln ”En jämförelse mellan handberäkningar och FEM-analys vid lastnedräkning” och handlar om de skillnader i lastfördelning man erhåller när man räknar på hur laster i en byggnad fördelar sig mellan de olika bärande elementen med de olika metoderna. FEM-analysen utfördes i datorprogrammet FEM-Design (StruSoft). Eftersom en lastnedräkning är ett grundläggande (men viktigt) steg i en konstruktörs design/dimensionerings-arbete så ville vi undersöka hur dessa görs och vilka verktyg ingenjörer har som kan hjälpa dem. Olika metoder att utföra detta kan komma att ge olika resultat. Vi jämförde de metoder som är vanligast, handberäkningar samt en FEM-analys med ett av de vanligare förekommande programmen som används av konstruktörer.Detta arbete har utförts i samarbete med företaget Integra Engineering AB, örebrokontoret. Integra har bidragit med 2D-ritningar till ett av deras projekt som denna grupp sedan gjorde en handberäknad lastnedräkning på samt modellering och FEM-analys med FEM-Design. Resultaten av de båda metoderna samanställdes sedan och analyserades för att få svar på de frågeställningar som ställdes.Som resultat förväntades skillnader, men för just detta projekt blev skillnaderna större än vad som väntades. Skillnaderna mellan totallasterna är acceptabla, men själva fördelningen mellan elementen blev större än förväntat.This bachelors thesis has been carried out by two civil engineering students and has the title “A comparison between standard hand calculations and FEM-Analysis at load distribution analysis” and deals with the differences in load distribution that you can get between the different load-bearing elements (e.g walls and pillars). The FEM-analysis was performed in the program FEM-Design (by StruSoft). Since a load distribution analysis is a fundamental (yet important) step in an engineer’s design/dimensioning work. We wanted to research how the different methods work and what tools engineers have to aid them in these calculations. Different methods can yield different results. We chose to work with the two most common methods of analysis, a calculation done by hand (according to Eurocode) and a FEM-analysis that is used by structural engineers and is one of the most commonly used FEM-programs.This thesis has been carried out in cooperation with Integra Engineering AB, Örebro office. For this work, Integra has contributed with 2D-drawings of one of their projects as this group then performed a hand-calculated load distribution analysis aswell as modeling and FEM analysis of the FEM-Design software. The results of the two methods were then compiled and analyzed to answer the questions posed.As a result, differences were expected, but for this particular project the differences were larger than expected. The differences between the total loads are acceptable, but the actual distribution between all the elements became larger, when comparing the two results.
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Haugsbakk, Frida. "Evaluations of how carbon dioxide calculations can be integrated into 3D models at an early design stage for more efficient Life Cycle Assessments on buildings." Thesis, KTH, Skolan för elektroteknik och datavetenskap (EECS), 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-230168.
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Life Cycle Assessments on buildings and various environmental certificates are starting to become customary for newbuilding projects in Sweden. Building materials play a big part in a building’s environmental impact. Earlier research indicates that Life Cycle Assessments is not a routine in today’s construction process and it may depend on uncertainties in the methods of quantifying carbon dioxide emissions. This master thesis focuses on how equivalent carbon dioxides, a standard unit to quantify greenhouse gas emissions, of building materials can be integrated with Building Information Modelling. Through meetings with experts in the field, data has been collected. A 3D model of a house was built in order to evaluate both an integration with a cost calculation tool and directly with the 3D model. The results showed how the cost calculation tool works for calculations of equivalent carbon dioxides, early in the pre-construction phase. Difficulties in finding corresponding materials in their database were found and issues with summarizing carbon dioxide data. The integration directly into the 3D model, with visual programming, proved an insert for each materials’ carbon dioxide emissions worked. This allows further updates throughout the building process. It was also possible to import material information to a carbon dioxide calculation tool. This evaluation opened up a possibility to change and update carbon dioxide emissions at an early design stage of a building process with Building Information Modelling along with a need of organizational change due to today's traditional building processes.Livscykelanalyser på byggnader och olika typer av miljöbyggnads-certifieringar blir allt vanligare för nya byggprojekt i Sverige. Materialet i en byggnad spelar en stor roll av hela byggnadens miljöpåverkan. Tidigare forskning indikerar att livscykelanalyser inte är en rutin i dagens byggprocesser vilket kan bero på att osäkerheter i de olika metoderna bakom koldioxidberäkningar. Den här artikeln fokuserar på hur koldioxidekvivalenter av byggnadsmaterial kan bli integrerade med Byggnadsinformationsmodellering. Genom möten med experter i området har datainsamling gjorts för det ändamålet. För att undersöka integreringen byggdes en 3D-modell upp och som senare användes för beräkningar av koldioxidutsläpp i ett kostnads-kalkyleringsverktyg samt undersöka hur en införing av koldioxidekvivalenter direkt i 3D-modellen kunde göras. Resultaten visade hur kostnads-beräkningsverktyget fungerar för beräkningar av koldioxidekvivalenter, tidigt i byggprocessen. Svårigheter i att hitta motsvarande material i kalkyleringsverktygets databas upptäcktes under utvärderingen samt en sammanfattande rapport för beräkningarna. Integrationen direkt i 3D-modellen med visuell programmering visade att en inmatning av koldioxidutsläpp för varje material fungerade vilket möjliggör uppdateringar under hela byggprocessen. Det var också möjligt att importera materialinformation till ett koldioxidberäkningsverktyg. Det öppnar upp möjligheter att ändra och uppdatera koldioxidutsläpp för material tidigt i byggprocessen med hjälp av Byggnadsinformationsmodellering och visar behov av organisationsförändringar på grund av dagens traditionella byggprocess.
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Jämbeck, Joakim P. M. "Computer Simulations of Heterogenous Biomembranes." Doctoral thesis, Stockholms universitet, Institutionen för material- och miljökemi (MMK), 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-101297.
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Molecular modeling has come a long way during the past decades and in the current thesis modeling of biological membranes is the focus. The main method of choice has been classical Molecular Dynamics simulations and for this technique a model Hamiltonian, or force field (FF), has been developed for lipids to be used for biological membranes. Further, ways of more accurately simulate the interactions between solutes and membranes have been investigated. A FF coined Slipids was developed and validated against a range of experimental data (Papers I-III). Several structural properties such as area per lipid, scattering form factors and NMR order parameters obtained from the simulations are in good agreement with available experimental data. Further, the compatibility of Slipids with amino acid FFs was proven. This, together with the wide range of lipids that can be studied, makes Slipids an ideal candidate for large-scale studies of biologically relevant systems. A solute's electron distribution is changed as it is transferred from water to a bilayer, a phenomena that cannot be fully captured with fixed-charge FFs. In Paper IV we propose a scheme of implicitly including these effects with fixed-charge FFs in order to more realistically model water-membrane partitioning. The results are in good agreement with experiments in terms of free energies and further the differences between using this scheme and the more traditional approach were highlighted. The free energy landscape (FEL) of solutes embedded in a model membrane is explored in Paper V. This was done using biased sampling methods with a reaction coordinate that included intramolecular degrees of freedom (DoF). These DoFs were identified in different bulk liquids and then used in studies with bilayers. The FELs describe the conformational changes necessary for the system to follow the lowest free energy path. Besides this, the pitfalls of using a one-dimensional reaction coordinate are highlighted.
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Davenport, James Michael. "An Adaptive Dose Finding Design (DOSEFIND) Using A Nonlinear Dose Response Model." VCU Scholars Compass, 2007. http://hdl.handle.net/10156/13.
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Belsito, Danielle L. "Application of Computational Thermodynamic and Solidification Kinetics to Cold Sprayable Powder Alloy Design." Digital WPI, 2014. https://digitalcommons.wpi.edu/etd-dissertations/28.
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Military aircraft that require high maneuverability, durability, ballistic protection, reparability, and energy efficiency require structural alloys with low density, high toughness, and high strength. Also, repairs to these aircraft demand a production process that has the flexibility to be relatively in-situ with the same high-performance output. Materials produced by the cold spray process, a thermo-mechanical powder consolidation technique, meet many of the requirements. In accordance with President Obama’s 2011 Materials Genome Initiative, the focus of this effort is to design customized aluminum alloy powders which exploit the unique behavior and properties of the materials created by the cold spray process. Analytical and computational models are used to customize microchemistry, thermal conditioning, and solidification behavior of the powders by predicting equilibrium and non-equilibrium microstructure and resulting materials properties and performance. Thermodynamic, kinetic, and solidification models are used, including commercial software packages Thermo-Calc, Pandat™, and JMatPro®, and TC-PRISMA. Predicted powder properties can be used as input into a cold spray process impact model to determine the consolidated materials’ properties. Mechanical properties of powder particles are predicted as a function of powder particle diameter and are compared to experimental results.
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Wennström, Lina. "En analys av Eurokod 1990 : - användarråd, jämförelser samt en intervjuundersökning." Thesis, Mälardalen University, Department of Public Technology, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:mdh:diva-651.
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The EN Eurocodes are a new series of standards for construction design in Europe. The development of these codes started originally in 1975 and in present time the progressing work is at the national calibration stage. The goal is to create a common standard for the design of buildings and other civil engineering works throughout Europe and beyond. The purpose is to increase the free circulation of construction products and engineering services. Since the transition to the new standards is getting closer, the constructing engineers and companies will soon stand before great changes. This is why Kadesjös Ingenjörsbyrå AB asked me to do an analysis of the first part of the new standard, i.e. Eurocode 1990, and look at the differences among the existing standards in Sweden and the Eurocodes. The result of this is summarized not only in the report but also in a “User’s manual” which is presented in appendix 1 attached to the report. A limited study of the environmental effects of the transition to Eurocode EN 1990 has also been done. By comparing design calculations of a normal beam in three different materials, steel, concrete and glued laminated timber, one can, for instance, get a general view of how the differences of the two standards affect the required quantity of material. To get an insight of the different opinions that might exist concerning the new standard, a survey based on interviews of a few constructional engineers has been done. There was also discussed if any, and in that case what kind of preparations constructors and design companies are performing to be well prepared when the transition comes.
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Ковальчук, Володимир Андрійович. "Забезпечення рівноміцності вязального механізму автомату штучних трикотажних виробів." Магістерська робота, Київський національний університет технологій та дизайну, 2021. https://er.knutd.edu.ua/handle/123456789/17876.
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Дипломну бакалаврську роботу присвячено актуальним питанням модернізації та проектування в’язальних механізмів, які обмежують міцність та надійність одноциліндрових шкарпеткових автоматів. Метою роботи є систематизація і узагальнення напрямків удосконалення замкових систем шкарпеткових автоматів, ознайомлення з основними положеннями розв'язку прикладних задач по забезпеченню заданого рівня міцності щодо клинів з податливою гранню та виконання розрахунку його на міцність з урахуванням навантажень та обмежень геометричних параметрів замкової системи в’язального механізму. Розглядалися наступні завдання: систематизація літературних джерел з конструювання та розрахунків на ударне навантаження та міцність елементів в’язальних механізмів; аналіз впливу різних факторів на величину ударного навантаження в парі голка – клин; розв'язок задачі по забезпеченню заданих пружних та геометричних параметрів за критерієм втомленої міцності податливою грані клину. Представлені практичні рекомендації дозволяють обґрунтовано приймати раціональні конструкторські рішення в замкових системах в’язальних механізмів. Бакалаврська робота об’ємом в 37 сторінок складається з вступу, трьох розділів, висновків та списку використаної літератури. Кількість рисунків в роботі – 5, таблиць – 1, бібліографія – 69 позицій.Thesis is devoted to topical issues of modernization and design of knitting mechanisms that limit the strength and reliability of single-cylinder sock machines. The purpose of the work is to systematize and generalize the areas of improvement of locking systems of sock machines, acquaintance with the basic provisions of solving applied problems to ensure a given level of strength relative to wedges with a flexible face and calculate its strength taking into account loads and limitations of geometric parameters of the locking system. mechanism. The following tasks were considered: systematization of literature sources on the design and calculations for impact load and strength of elements of knitting mechanisms; analysis of the influence of various factors on the magnitude of the impact load in the pair needle – cam; solution of the problem of providing the given elastic and geometric parameters by the criterion of fatigue strength of the pliable face of the cam. The presented practical recommendations allow to make rational design decisions in locking systems of knitting mechanisms. The scientific work of xxx pages (excluding xxx appendices) consists of an introduction, four chapters, conclusions and a list of references. Number of figures in the work – 5, tables – 1, bibliography – 96 items.
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Апанасенко, Ярослав Андрійович. "Робототехнічний пристрій для розвантаження міжцехового транспорту РПРМТ." Магістерська робота, Київський національний університет технологій та дизайну, 2021. https://er.knutd.edu.ua/handle/123456789/18552.
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Метою роботи є систематизація і узагальнення напрямків проектування робототехнічного пристрою для розвантаження міжцехового транспорту, їх удосконалення, ознайомлення з основними положеннями розв'язку задач по забезпеченню розвантаження. В роботі були розглянуті наступні завдання: структура промислових роботів; системи керування промислових роботів; основні технічні показники промислових роботів; розробка технічних вимог та визначення основних параметрів робота; кінематичне дослідження маніпулятора; визначення похибки позиціонування точки D захвату; динамічний розрахунок виконавчих механізмів маніпуляторів; вибір параметрів приводу висунення штанги руки маніпулятора; розрахунок захвату. Представлені практичні рекомендації дозволяють обґрунтовано приймати раціональні конструкторські рішення в робототехнічних пристроях для міжцехового транспорту.Целью работы является систематизация и обобщение направлений проектирования робототехнического устройства для разгрузки межцехового транспорта, их усовершенствования, ознакомление с основными положениями решении задач по обеспечению разгрузки. В работе были рассмотрены следующие задачи: структура промышленных роботов, системы управления промышленными роботами, основные технические показатели промышленных роботов, разработка технических требований и определение основных параметров работа; кинематическое исследование манипулятора; определение погрешности позиционирования точки D восторга; динамический расчет исполнительных механизмов манипуляторов; выбор параметров привода выдвижения штанги руки манипулятора; расчет захвата. Представленные практические рекомендации позволяют обоснованно принимать рациональные конструкторские решения в робототехнических устройств для межцехового транспорта.
The purpose of the work is to systematize and generalize the directions of design of the robotic device for unloading of inter-shop transport, their improvement, acquaintance with the basic provisions of the decision of problems on maintenance of unloading. The following tasks were considered: the structure of industrial robots; control systems for industrial robots; basic technical indicators of industrial robots; development of technical requirements and definition of the basic parameters of work; kinematic study of the manipulator; determining the positioning error of the capture point D; dynamic calculation of actuators of manipulators; selection of parameters of the drive of extension of a bar of a hand of the manipulator; capture calculation. The presented practical recommendations allow to make rational design decisions in robotic devices for inter-shop transport.
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Pavelka, Radomil. "Pohon vřeten pětivřetenového soustružnického automatu." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2014. http://www.nusl.cz/ntk/nusl-231522.
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The subject of the thesis is design of independent spindle drive for multi-spindle automatic lathe MORI-SAY TMZ 520 CNC manufactured by TAJMAC-ZPS. The thesis will introduce the representatives of manufacturing program of TAJMAC-ZPS multi-spindle automatic lathes division and there will be a brief description of their main constructional parts. The main objective of the thesis is an engineering design of testing device which will be bulit for verification of the correct drive concept. There is also many calculations and detailed description of the engineering design. The testing device is made for internal needs of TAJMAC-ZPS.
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Rohne, Clemens, Michael Schreiter, Jens Sumpf, Klaus Nendel, and Lothar Kroll. "Hybrid Conveyor Chains – Calculation, Design and Manufacturing." Universitätsbibliothek Chemnitz, 2017. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-231781.
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The following paper will illustrate the development of a multiflex chain in hybrid construction. The aim of this novel chain variant is to improve the stiffness and strength in comparison to conventional plastic slide chains. A two part multiflex chain with a chain pitch of 33.5 mm and a structural width of 83 mm was used as the basis for the development of the hybrid multiflex chain. The hybrid multiflex chain is supposed to be integrated in already existing layouts of chain conveyors. The load bearing structure of the single chain links is manufactured in the metal die cast procedure while taking the constructive, production related, and operational aspects into consideration and subsequently covered in the injection molding process with plastics commonly used for multiflex chains. The evaluation of the improved stiffness and strength takes place in the course of extensive test seriesIn der folgenden Abhandlung wird die Entwicklung einer Multiflex-Kette in Hybridbauweise erläutert. Mit dieser neuartigen Kettenvariante soll eine Steifigkeits- und Festigkeitssteigerung gegenüber den konventionellen Kunststoffgleitketten erzielt werden. Als Ausgangsbasis für die Entwicklung der hybriden Förderkette dient eine zweiteilig ausgeführte Multiflex-Kette mit der Teilung von 33,5 mm und einer Baubreite von 83 mm. Die hybride Förderkette soll in bestehende Layouts von Kettenförderern integriert werden können. Unter Beachtung konstruktiver, fertigungstechnischer und betrieblicher Aspekte wird die lasttragende Struktur der einzelnen Kettenglieder im Metalldruckgussprozess gefertigt und anschließend mit einem, für Multiflex-Ketten üblichen Kunststoff im Spritzgießprozess ummantelt. Die Evaluierung der Steifigkeits- bzw. Festigkeitssteigerung erfolgt im Rahmen umfangreicher Versuchsreihen
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Wiegmann, Dirk. "An activity-based cost model for design-concurrent calculation." Thesis, This resource online, 1992. http://scholar.lib.vt.edu/theses/available/etd-03032009-040709/.
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Dahl, Robert, and Emelie Göransson. "Jämförelse av beräkningsprogram och handberäkningar för att minimera armeringsmängd i grundplatta." Thesis, Uppsala universitet, Institutionen för samhällsbyggnad och industriell teknik, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-413978.
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This study is based on an analysis of a foundation slab where calculations are done to find the minimum amount of reinforcement needed. The purpose of this thesis is to find a balance between time-cost, carbon dioxide emissions and the working environment. One way to minimize time-cost is by using FEM-software. In some cases, FEM-software is more exact than manual calculations, since manual calculations usually approximate. For this reason, manual calculations are compared to FEM-Design. FEM-software is commonly used for other parts of construction, which saves time-cost and materials compared to manual calculations. The use of FEM-software for foundation slabs could improve the dimensioning process in the same manner. The slab that is analysed in this thesis is part of an industrial building. The slab has two parts with different prerequisites in forms of area, thickness and point loads. Shrinkage- and creep-deformations are common causes for cracks in concrete. The results show that FEM-Design saves time for both parts of the slab but requires more reinforcement for the bigger of the two dimensions, which entails higher carbon dioxide emissions. Both calculation-methods met the maximum distance of 150 mm between the reinforcement bars which is the requirement for the workplace environment.Detta examensarbete handlar om att analysera en grundplatta genom att hitta en balans mellan tid, arbetsmiljö och minimering av koldioxidutsläpp. Sweco presenterade utmaningen att beräkna den optimala ameringsmängden med hänsyn till dessa aspekter och erbjöd resurser för analysen. Plattan som analyseras är en del av en industribyggnad. Den är uppdelad i två delplattor som har olika förutsättningar för tjocklek och laststorlek. Ett sätt att minimera tid kan vara att använda sig av FEM-beräkningsprogram. I vissa fall är FEM-beräkningsprogram mer säkra än handberäkningar då handberäkningar approximerar. Av dessa anledningar jämförs handberäkningar med FEM-Design. Grundplattor är intressanta konstruktionsdelar som utsätts för krymp- samt krypdeformationer utöver externa laster. Dessa deformationer kan orsaka sprickbildning i armerade grundplattor. Momentfördelningen för grundplattor skiljer sig avsevärt jämfört med betongplattor som vilar på stöd. Resultaten visar att FEM-Design tar mindre tid, men utifrån avgränsningar kräver större armeringsmängd för större dimensioner av grundplattor. Större mängdarmering innebär negativ miljöpåverkan, eftersom större koldioxidutsläpp uppstår vid tillverkning. Båda metoderna klarar arbetsmiljökravet på maximalt 150 mm i centrumavstånd.
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Althaus, Catherine Eileen, and n/a. "Policy Design and the Calculation of Political Risk." Griffith University. Department of Politics and Public Policy, 2005. http://www4.gu.edu.au:8080/adt-root/public/adt-QGU20050824.120313.
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This thesis examines the concept of political risk. It explores how political actors determine whether something is politically risky and what implications this judgment holds for policy design. It establishes that calculations of political risk are a day-to-day occurrence in political life, that they uniquely and influentially structure the public policy process, and that political risk analysis is a valid and distinct conceptual framework. Surveying an extensive multidisciplinary literature, the thesis clarifies its definition of political risk and identifies a gap in the existing political science literature concerning the concept. It exposes a hiatus between the political science discipline and political practice in the recognition of political risk calculation as a central aspect of political judgment. Because the theory of political risk is underdeveloped in political science, the thesis pieces together the existing wisdom from other disciplines that might inform a definition of political risk. It then plots a set of hypotheses to assist in constructing a foundational appreciation of what political risk calculation might entail. The thesis tests the resulting hypotheses using empirical research. A survey of 111 Australian political actors is conducted in order to determine how political risk is understood and operationalised in political practice and to ascertain the consequences of political risk for decision making and policy design. Survey results are complemented by a comparative analysis of four policy issues. The case studies selected were the Citizen's Charter and Mad Cow crisis of the British Major Government and the Charter of Social and Fiscal Responsibility and Smart State policies initiated by the Queensland Beattie Government. The comparative analysis of these cases is designed to add rigour to the interview data. It also provides additional information concerning the policy design implications of political risk calculation by relating interview findings to substantive policy problems. Together, this multi-method research demonstrates that political risk provides a fresh analytical perspective on public policy. Political risk analysis describes a unique aspect of political reality and explains in new ways the decision making process underpinning policy design. Political risk analysis also defends political action against claims of irrationality and attacks that suggest that politics is based on sheer cynicism, because it shows that political risk calculation boasts a defensible logic of its own. In fact, the thesis concludes that political risk provides a conceptual tool that begins to unravel some of the 'mystery' of politics that confounds technocratic models of policy analysis. Awareness of political risk calculation re-establishes political decision making as an endeavour where investigation must proceed with an appreciation of the integrated nature of human judgment that utilises both 'rational' and 'extra-rational' capacities to confront uncertainty.
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Ramesh, Dinesh. "The Role of Interface in Crystal Growth, Energy Harvesting and Storage Applications." Thesis, University of North Texas, 2020. https://digital.library.unt.edu/ark:/67531/metadc1752367/.
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A flexible nanofibrous PVDF-BaTiO3 composite material is prepared for impact sensing and biomechanical energy harvesting applications. Dielectric polyvinylidene fluoride (PVDF) and barium titanate (BaTiO3)-PVDF nanofibrous composites were made using the electrospinning process based on a design of experiments approach. The ultrasonication process was optimized using a 2k factorial DoE approach to disperse BaTiO3 particles in PVDF solution in DMF. Scanning electron microscopy was used to characterize the microstructure of the fabricated mesh. The FT-IR and Raman analysis were carried out to investigate the crystal structure of the prepared mesh. Surface morphology contribution to the adhesive property of the composite was explained through contact angle measurements. The capacitance of the prepared PVDF- BaTiO3 nanofibrous mesh was a more than 40% increase over the pure PVDF nanofibers. A comparative study of dielectric relaxation, thermodynamics properties and impact analysis of electrospun polyvinylidene fluoride (PVDF) and 3% BaTiO3-PVDF nanofibrous composite are presented. The frequency dependent dielectric properties revealed micro structural features of the composite material. The dielectric relaxation behavior is further supported by complex impedance analysis and Nyquist plots. The temperature dependence of electric modulus shows Arrhenius type behavior. The observed non-Debye dielectric relaxation in electric loss modulus follows a thermally activated process which can be attributed to a small polaron hopping effect. The particle induced crystallization is supported with thermodynamic properties from differential scanning calorimetric (DSC) measurements. The observed increase in piezoelectric response by impact analysis was attributed to the interfacial interaction between PVDF and BaTiO3. The interfacial polarization between PVDF and BaTiO3 was studied using density functional theory calculations and atomic charge density analysis. The results obtained indicates that electrospinning offers a potential way to produce nanofibers with desired crystalline nature which was not observed in molded samples. In addition, BaTiO3 can be used to increase the capacitance, desired surface characteristics of the PVDF nanofibers which can find potential application as flexible piezoelectric sensor mimicking biological skin for use in impact sensing and energy harvesting applications.