Computer Simulation In Materials Science

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Computer Simulation in Materials Science

Author : M. Meyer
Publisher : Springer Science & Business Media
ISBN 13 : 9401135460
Total Pages : 540 pages
Book Rating : 4.4/5 (11 download)

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Book Synopsis Computer Simulation in Materials Science by : M. Meyer

Download or read book Computer Simulation in Materials Science written by M. Meyer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : H.O. Kirchner
Publisher : Springer
ISBN 13 :
Total Pages : 624 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Computer Simulation in Materials Science by : H.O. Kirchner

Download or read book Computer Simulation in Materials Science written by H.O. Kirchner and published by Springer. This book was released on 1996-01-31 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Materials Science

Author : Dierk Raabe
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 408 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Computational Materials Science by : Dierk Raabe

Download or read book Computational Materials Science written by Dierk Raabe and published by Wiley-VCH. This book was released on 1998-10-27 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.

Computational Materials Science

Author : Kaoru Ohno
Publisher : Springer
ISBN 13 : 3662565420
Total Pages : 433 pages
Book Rating : 4.6/5 (625 download)

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Book Synopsis Computational Materials Science by : Kaoru Ohno

Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer. This book was released on 2018-04-14 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.

Applied Computational Materials Modeling

Author : Guillermo Bozzolo
Publisher : Springer Science & Business Media
ISBN 13 : 0387345655
Total Pages : 502 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo

Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo and published by Springer Science & Business Media. This book was released on 2007-12-19 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.

Computational Materials Science

Author : A.M. Ovrutsky
Publisher : Elsevier
ISBN 13 : 0124202071
Total Pages : 389 pages
Book Rating : 4.1/5 (242 download)

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Book Synopsis Computational Materials Science by : A.M. Ovrutsky

Download or read book Computational Materials Science written by A.M. Ovrutsky and published by Elsevier. This book was released on 2013-11-19 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. Valuable reference book, but also helpful as a supplement to courses Computer programs available to supplement examples Presents several new methods of computational materials science and clearly summarizes previous methods and results

Computer Simulation of Polymeric Materials

Author : Japan Association for Chemical Innovation
Publisher : Springer
ISBN 13 : 9811008159
Total Pages : 391 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Computer Simulation of Polymeric Materials by : Japan Association for Chemical Innovation

Download or read book Computer Simulation of Polymeric Materials written by Japan Association for Chemical Innovation and published by Springer. This book was released on 2016-07-30 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.

Computational Materials Engineering

Author : Maciej Pietrzyk
Publisher : Butterworth-Heinemann
ISBN 13 : 0124167241
Total Pages : 388 pages
Book Rating : 4.1/5 (241 download)

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Book Synopsis Computational Materials Engineering by : Maciej Pietrzyk

Download or read book Computational Materials Engineering written by Maciej Pietrzyk and published by Butterworth-Heinemann. This book was released on 2015-07-14 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering: Achieving High Accuracy and Efficiency in Metals Processing Simulations describes the most common computer modeling and simulation techniques used in metals processing, from so-called "fast" models to more advanced multiscale models, also evaluating possible methods for improving computational accuracy and efficiency. Beginning with a discussion of conventional fast models like internal variable models for flow stress and microstructure evolution, the book moves on to advanced multiscale models, such as the CAFÉ method, which give insights into the phenomena occurring in materials in lower dimensional scales. The book then delves into the various methods that have been developed to deal with problems, including long computing times, lack of proof of the uniqueness of the solution, difficulties with convergence of numerical procedures, local minima in the objective function, and ill-posed problems. It then concludes with suggestions on how to improve accuracy and efficiency in computational materials modeling, and a best practices guide for selecting the best model for a particular application. Presents the numerical approaches for high-accuracy calculations Provides researchers with essential information on the methods capable of exact representation of microstructure morphology Helpful to those working on model classification, computing costs, heterogeneous hardware, modeling efficiency, numerical algorithms, metamodeling, sensitivity analysis, inverse method, clusters, heterogeneous architectures, grid environments, finite element, flow stress, internal variable method, microstructure evolution, and more Discusses several techniques to overcome modeling and simulation limitations, including distributed computing methods, (hyper) reduced-order-modeling techniques, regularization, statistical representation of material microstructure, and the Gaussian process Covers both software and hardware capabilities in the area of improved computer efficiency and reduction of computing time

Computer Simulation in Physics and Engineering

Author : Martin Oliver Steinhauser
Publisher : Walter de Gruyter
ISBN 13 : 3110256061
Total Pages : 532 pages
Book Rating : 4.1/5 (12 download)

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Book Synopsis Computer Simulation in Physics and Engineering by : Martin Oliver Steinhauser

Download or read book Computer Simulation in Physics and Engineering written by Martin Oliver Steinhauser and published by Walter de Gruyter. This book was released on 2012-12-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Handbook of Materials Structures, Properties, Processing and Performance

Author : Lawrence E. Murr
Publisher : Springer
ISBN 13 : 9783319019055
Total Pages : 1500 pages
Book Rating : 4.0/5 (19 download)

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Book Synopsis Handbook of Materials Structures, Properties, Processing and Performance by : Lawrence E. Murr

Download or read book Handbook of Materials Structures, Properties, Processing and Performance written by Lawrence E. Murr and published by Springer. This book was released on 2021-01-14 with total page 1500 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 of Ion-Solid Interactions

Author : Wolfgang Eckstein
Publisher : Springer Science & Business Media
ISBN 13 : 3642735134
Total Pages : 303 pages
Book Rating : 4.6/5 (427 download)

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Book Synopsis Computer Simulation of Ion-Solid Interactions by : Wolfgang Eckstein

Download or read book Computer Simulation of Ion-Solid Interactions written by Wolfgang Eckstein and published by Springer Science & Business Media. This book was released on 2013-03-12 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book the author discusses the investigation of ion bombardment of solids by computer simulation, with the aim of demonstrating the usefulness of this approach to the problem of interactions of ions with solids. The various chapters present the basic physics behind the simulation programs, their structure and many applications to different topics. The two main streams, the binary collision model and the classical dynamics model, are discussed, as are interaction potentials and electronic energy losses. The main topics investigated are backscattering, sputtering and implantation for incident atomic particles with energies from the eV to the MeV range. An extensive overview of the literature is given, making this book of interest to the active reseacher as well to students entering the field.

Numerical Modeling in Materials Science and Engineering

Author : Michel Rappaz
Publisher : Springer Science & Business Media
ISBN 13 : 3642118216
Total Pages : 544 pages
Book Rating : 4.6/5 (421 download)

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Book Synopsis Numerical Modeling in Materials Science and Engineering by : Michel Rappaz

Download or read book Numerical Modeling in Materials Science and Engineering written by Michel Rappaz and published by Springer Science & Business Media. This book was released on 2010-03-11 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computing application to materials science is one of the fastest-growing research areas. This book introduces the concepts and methodologies related to the modeling of the complex phenomena occurring in materials processing. It is intended for undergraduate and graduate students in materials science and engineering, mechanical engineering and physics, and for engineering professionals or researchers.

Understanding Molecular Simulation

Author : Daan Frenkel
Publisher : Elsevier
ISBN 13 : 0080519989
Total Pages : 661 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Understanding Molecular Simulation by : Daan Frenkel

Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computer Simulation of Dynamic Phenomena

Author : Mark L. Wilkins
Publisher : Springer Science & Business Media
ISBN 13 : 3662038854
Total Pages : 260 pages
Book Rating : 4.6/5 (62 download)

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Book Synopsis Computer Simulation of Dynamic Phenomena by : Mark L. Wilkins

Download or read book Computer Simulation of Dynamic Phenomena written by Mark L. Wilkins and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: A description of computer programs for simulating phenomena in hydrodynamics, gas dynamics, and elastic plastic flow in one, two, and three dimensions. The text covers Maxwell's equations, and thermal and radiation diffusion, while the numerical procedures described permit the exact conservation of physical properties in the solutions of the fundamental laws of mechanics. The author also treats materials, including the use of simulation programs to predict material behavior.

Computer Simulation in Materials Science

Author : R. J. Arsenault
Publisher :
ISBN 13 :
Total Pages : 392 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Computer Simulation in Materials Science by : R. J. Arsenault

Download or read book Computer Simulation in Materials Science written by R. J. Arsenault and published by . This book was released on 1988 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt:

An Introduction to Computer Simulation in Applied Science

Author : F. Abraham
Publisher : Springer Science & Business Media
ISBN 13 : 1468419749
Total Pages : 258 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis An Introduction to Computer Simulation in Applied Science by : F. Abraham

Download or read book An Introduction to Computer Simulation in Applied Science written by F. Abraham and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: This set of lectures is the outgrowth of a new course in the Department of Materials Science at Stanford University. It was taught collectively by the authors of the various sections and represents an attempt to increase the awareness of students in the materials area of computer simulation techniques and potentialities. The topics often ranged far afield from the materials area; however, the total package served the intended purpose of being an initiation into the world of computer simulation and, as such, made a useful first iteration to the intended purpose. The second iteration, which is in process, deals exclusively with the materials area. The course was designed to teach students a new way to wrestle with "systems" problems in the materials science work area that require the synthesis and interactions of several disciplines of knowledge. This course was a response to the realization that effective handling of real problems, which are essentially systems problems, is one of the most important at tributes of a graduate materials scientist. About a third of the course was devoted to the student's selected problem, in the materials area, which he simulated using the digital computer.

Computational Materials Science

Author : June Gunn Lee
Publisher : CRC Press
ISBN 13 : 1000005232
Total Pages : 376 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Computational Materials Science by : June Gunn Lee

Download or read book Computational Materials Science written by June Gunn Lee and published by CRC Press. This book was released on 2016-11-25 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.