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Computer Simulation In Materials Science


Computer Simulation In Materials Science
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Computer Simulation In Materials Science


Computer Simulation In Materials Science
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Author : M. Meyer
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Computer Simulation In Materials Science written by M. Meyer and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.


This volume collects the contributions! to the NATO Advanced Study Institute (ASI) held in Aussois (France) by March 25 - April 5, 1991. This NATO ASI was intended to present and illustrate recent advances in computer simulation techniques applied to the study of materials science problems. Introductory lectures have been devoted to classical simulations with special reference to recent technical improvements, in view of their application to complex systems (glasses, molecular systems . . . ). Several other lectures and seminars focused on the methods of elaboration of interatomic potentials and to a critical presentation of quantum simulation techniques. On the other hand, seminars and poster sessions offered the opportunity to discuss the results of a great variety of simulation studies dealing with materials and complex systems. We hope that these proceedings will be of some help for those interested in simulations of material properties. The scientific committee advises have been of crucial importance in determining the conference program. The directors of the ASI express their gratitude to the colleagues who have participated to the committee: Y. Adda, A. Bellemans, G. BIeris, J. Castaing, C. R. A. Catlow, G. Ciccotti, J. Friedel, M. Gillan, J. P. Hansen, M. L. Klein, G. Martin, S. Nose, L. Rull-Fernandez, J. Valleau, J. Villain. The main financial support has been provided by the NATO Scientific Affairs Division and the Commission of European Communities (plan Science).



Computer Simulation In Materials Science


Computer Simulation In Materials Science
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Author : H.O. Kirchner
language : en
Publisher: Springer
Release Date : 1996-01-31

Computer Simulation In Materials Science written by H.O. Kirchner and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-01-31 with Computers categories.


For decades to come, the limits to computing power will not allow atomistic simulations of macroscopic specimens. Simulations can only be performed on various scales (nano, meso, micro and macro) using the input provided by simulations (or data) on the next smaller scale. The resulting hierarchy has been the focus of many seminars and lectures. Necessarily, special emphasis has been placed on mesoscopic simulations, bridging the gaps between nano (atomic) and micro space and time scales. The contributors to Computer Simulation in Materials Science consider both fundamental problems and applications. Papers on the evolution of morphological patterns in phase transformations and plastic deformation, irradiation effects, mass transport and mechanical properties of materials in general highlight what has already been achieved. It is concluded that computer simulations must be based on realistic and efficient models: the fundamental equations controlling the dynamical evolution of microstructures, stochastic field kinetic models, being a case in point. The mesoscopic approach has proved particularly effective in plastic deformation and work hardening. On the mesoscopic scale, the contributions made to the deformation of polycrystals and localized plastic flow show the importance of computing power in ongoing and future research.



Computer Simulation In Physics And Engineering


Computer Simulation In Physics And Engineering
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Author : Martin Oliver Steinhauser
language : en
Publisher: Walter de Gruyter
Release Date : 2012-12-06

Computer Simulation In Physics And Engineering written by Martin Oliver Steinhauser and has been published by Walter de Gruyter this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.


This work is a needed reference for widely used techniques and methods of computer simulation in physics and other disciplines, such as materials science. Molecular dynamics computes a molecule's reactions and dynamics based on physical models; Monte Carlo uses random numbers to image a system's behaviour when there are different possible outcomes with related probabilities. The work conveys both the theoretical foundations as well as applications and "tricks of the trade", that often are scattered across various papers. Thus it will meet a need and fill a gap for every scientist who needs computer simulations for his/her task at hand. In addition to being a reference, case studies and exercises for use as course reading are included.



Science In The Age Of Computer Simulation


Science In The Age Of Computer Simulation
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Author : Eric Winsberg
language : en
Publisher: University of Chicago Press
Release Date : 2010-10-30

Science In The Age Of Computer Simulation written by Eric Winsberg and has been published by University of Chicago Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-10-30 with Computers categories.


"Digital computer simulation helps study phenomena of great complexity, but how much do we know about the limits and possibilities of this new scientific practice? How do simulations compare to traditional experiments? And are they reliable? Scrutinizing these issues with a philosophical lens, Eric Winsberg explores the impact of simulation on such issues as the nature of scientific evidence, the role of values in science, the nature and role of fictions in science, and the relationship between simulation and experiment, theories and data, and theories at different levels of description"--Cover.



Computer Simulation In Chemical Physics


Computer Simulation In Chemical Physics
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Author : M.P. Allen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Computer Simulation In Chemical Physics written by M.P. Allen and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.


Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.



Handbook Of Materials Structures Properties Processing And Performance


Handbook Of Materials Structures Properties Processing And Performance
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Author : Lawrence E. Murr
language : en
Publisher: Springer
Release Date : 2021-01-14

Handbook Of Materials Structures Properties Processing And Performance written by Lawrence E. Murr and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-14 with Technology & Engineering categories.


This extensive knowledge base provides a coherent description of advanced topics in materials science and engineering with an interdisciplinary/multidisciplinary approach. The book incorporates a historical account of critical developments and the evolution of materials fundamentals, providing an important perspective for materials innovations, including advances in processing, selection, characterization, and service life prediction. It includes the perspectives of materials chemistry, materials physics, engineering design, and biological materials as these relate to crystals, crystal defects, and natural and biological materials hierarchies, from the atomic and molecular to the macroscopic, and emphasizing natural and man-made composites. This expansive presentation of topics explores interrelationships among properties, processing, and synthesis (historic and contemporary). The book serves as both an authoritative reference and roadmap of advanced materials concepts for practitioners, graduate-level students, and faculty coming from a range of disciplines.



Computer Simulation In Materials Science


Computer Simulation In Materials Science
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Author : R. J. Arsenault
language : en
Publisher:
Release Date : 1988

Computer Simulation In Materials Science written by R. J. Arsenault and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Technology & Engineering categories.




Computer Simulation Of Dynamic Phenomena


Computer Simulation Of Dynamic Phenomena
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Author : Mark L. Wilkins
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Computer Simulation Of Dynamic Phenomena written by Mark L. Wilkins and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Science categories.


This text describes computer programs for simulating phenomena in hydro dynamics, gas dynamics, and elastic plastic flow in one, two, and three dimen sions. Included in the two-dimensional program are Maxwell's equations and thermal and radiation diffusion. The programs were developed by the author during the years 1952-1985 at the Lawrence Livermore National Laboratory. The largest main-frame computers available in the early 1950s were re quired to solve hydrodynamic problems in one space dimension by using forty mass points. Subsequently, numerical methods were developed for solv ing problems in two and three space dimensions, but application of these methods had to wait until the main-frame computers were large enough to tackle meaningful problems. At the present time, lap-top computers can use these methods to solve problems in three space dimensions with the detail of 10 000 mass points. The numerical procedures described in the text permit the exact con servation of physical properties in the solutions of the fundamental laws of mechanics: (1) conservation of mass, (2) conservation of momentum, (3) con servation of energy. The laws of mechanics are universal in their application. Examples are given for the same computer simulation programs solving prob lems of penetration mechanics, surface waves from earthquakes, shock waves in solids and gases, failure of materials.



Understanding Molecular Simulation


Understanding Molecular Simulation
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Author : Daan Frenkel
language : en
Publisher: Elsevier
Release Date : 2001-10-19

Understanding Molecular Simulation written by Daan Frenkel and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-10-19 with Science categories.


Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.



Multiscale Modeling And Analysis For Materials Simulation


Multiscale Modeling And Analysis For Materials Simulation
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Author : Weizhu Bao
language : en
Publisher: World Scientific
Release Date : 2012

Multiscale Modeling And Analysis For Materials Simulation written by Weizhu Bao and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Mathematics categories.


The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.