Atomistic Computer Simulations
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Atomistic Computer Simulations
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Author : Veronika Brázdová
language : en
Publisher: John Wiley & Sons
Release Date : 2013-04-16
Atomistic Computer Simulations written by Veronika Brázdová and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-16 with Science categories.
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Atomistic Computer Simulations Of The Molecular Structure Thermodynamics And Dynamics Of Glassy Polymers At Interfaces
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Author : Kevin Francis Mansfield
language : en
Publisher:
Release Date : 1991
Atomistic Computer Simulations Of The Molecular Structure Thermodynamics And Dynamics Of Glassy Polymers At Interfaces written by Kevin Francis Mansfield and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with categories.
Computer Modeling In Corrosion
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Author : Raymond S. Munn
language : en
Publisher: ASTM International
Release Date : 1992
Computer Modeling In Corrosion written by Raymond S. Munn and has been published by ASTM International this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Science categories.
The Art Of Molecular Dynamics Simulation
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Author : D. C. Rapaport
language : en
Publisher: Cambridge University Press
Release Date : 2004-04
The Art Of Molecular Dynamics Simulation written by D. C. Rapaport and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04 with Science categories.
First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Modeling Materials
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Author : Ellad B. Tadmor
language : en
Publisher: Cambridge University Press
Release Date : 2011-11-24
Modeling Materials written by Ellad B. Tadmor and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-11-24 with Science categories.
Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Computer Simulations Of Dislocations
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Author : Vasily Bulatov
language : en
Publisher: OUP Oxford
Release Date : 2006-11-02
Computer Simulations Of Dislocations written by Vasily Bulatov and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-02 with Technology & Engineering categories.
This book presents a broad collection of models and computational methods - from atomistic to continuum - applied to crystal dislocations. Its purpose is to help students and researchers in computational materials sciences to acquire practical knowledge of relevant simulation methods. Because their behavior spans multiple length and time scales, crystal dislocations present a common ground for an in-depth discussion of a variety of computational approaches, including their relative strengths, weaknesses and inter-connections. The details of the covered methods are presented in the form of "numerical recipes" and illustrated by case studies. A suite of simulation codes and data files is made available on the book's website to help the reader "to learn-by-doing" through solving the exercise problems offered in the book.
Molecular Modeling
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Author : Hans-Dieter Höltje
language : de
Publisher: John Wiley & Sons
Release Date : 2008-07-11
Molecular Modeling written by Hans-Dieter Höltje and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-11 with Science categories.
Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
Computer Simulation Of Liquids
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Author : Michael P. Allen
language : en
Publisher: Oxford University Press
Release Date : 2017-08-15
Computer Simulation Of Liquids written by Michael P. Allen and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-08-15 with Science categories.
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Computer Simulation Of Liquids
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Author : M. P. Allen
language : en
Publisher: Oxford University Press
Release Date : 1989
Computer Simulation Of Liquids written by M. P. Allen and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989 with Computers categories.
Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.
Computer Simulations Of Dislocations
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Author : Vasily Bulatov
language : en
Publisher: Oxford University Press
Release Date : 2006-11-02
Computer Simulations Of Dislocations written by Vasily Bulatov and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-02 with Computers categories.
The book presents a variety of methods for computer simulations of crystal defects in the form of "numerical recipes", complete with computer codes and analysis tools. By working through numerous case studies and problems, this book provides a useful starter kit for further method development in the computational materials sciences.