Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Author : Kurt Binder
language : en
Publisher: Oxford University Press
Release Date : 1995-08-03
Monte Carlo And Molecular Dynamics Simulations In Polymer Science written by Kurt Binder 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 1995-08-03 with Science categories.
Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.
Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Author : Kurt Binder
language : en
Publisher:
Release Date : 2023
Monte Carlo And Molecular Dynamics Simulations In Polymer Science written by Kurt Binder and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with Molecular dynamics categories.
Talks about various computer simulation techniques used for macromolecular materials. This book describes how to use simulation to explain experimental data and gain insight into structure and dynamic properties of polymeric structures. Explanations are given on how to overcome challenges posed by large size and slow relaxation polymer coils.
Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Author : Kurt Binder
language : en
Publisher:
Release Date : 1995
Monte Carlo And Molecular Dynamics Simulations In Polymer Science written by Kurt Binder and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Molecular dynamics categories.
Talks about various computer simulation techniques used for macromolecular materials. This book describes how to use simulation to explain experimental data and gain insight into structure and dynamic properties of polymeric structures. Explanations are given on how to overcome challenges posed by large size and slow relaxation polymer coils.
Computer Simulation Of Polymers
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Author : Elizabeth A. Colbourn
language : en
Publisher: Longman Publishing Group
Release Date : 1994
Computer Simulation Of Polymers written by Elizabeth A. Colbourn and has been published by Longman Publishing Group this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Science categories.
For chemists, physicists, and students of computer simulation, provides a detailed examination of the complex problems of time and size scaling in molecular modeling and simulation. It includes not only atomistic modeling but also coarse-grained models, which allow longer time scales and therefore larger systems to be studied. Monte Carlo methods are also discussed, and have proven to be particularly powerful tools for examining a range of polymer problems. Assumes a background knowledge of synthetic polymer properties and simulation. Annotation copyright by Book News, Inc., Portland, OR
Monte Carlo Applications In Polymer Science
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Author : W. Bruns
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Monte Carlo Applications In Polymer Science written by W. Bruns 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.
Modeling And Simulation In Polymers
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Author : Purushottam D. Gujrati
language : en
Publisher: John Wiley & Sons
Release Date : 2010-03-30
Modeling And Simulation In Polymers written by Purushottam D. Gujrati 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 2010-03-30 with Technology & Engineering categories.
Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.
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.
Simulation Methods For Polymers
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Author : Michael Kotelyanskii
language : en
Publisher: CRC Press
Release Date : 2004-03-01
Simulation Methods For Polymers written by Michael Kotelyanskii and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-01 with Technology & Engineering categories.
Computer Simulation Of Polymers
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Author : Elizabeth A. Colbourn
language : en
Publisher: Longman
Release Date : 1994-01-01
Computer Simulation Of Polymers written by Elizabeth A. Colbourn and has been published by Longman this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-01 with Science categories.
The Polymer Science and Technology Series systematically covers a wide range of key areas in polymer technology. Each volume in the series focuses on an individual area of importance in the polymer industry and is edited by acknowledged experts in the field.
Computational Materials Science
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Author : Kaoru Ohno
language : en
Publisher: Springer
Release Date : 2018-04-14
Computational Materials Science written by Kaoru Ohno and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-14 with Technology & Engineering categories.
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.