Nonequilibrium Molecular Dynamics
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Nonequilibrium Molecular Dynamics
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Author : Billy D. Todd
language : en
Publisher: Cambridge University Press
Release Date : 2017-03-10
Nonequilibrium Molecular Dynamics written by Billy D. Todd 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 2017-03-10 with Science categories.
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Statistical Mechanics Of Nonequilibrium Liquids
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Author : Denis J. Evans
language : en
Publisher: ANU E Press
Release Date : 2007-08-01
Statistical Mechanics Of Nonequilibrium Liquids written by Denis J. Evans and has been published by ANU E Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-01 with Science categories.
"There is a symbiotic relationship between theoretical nonequilibrium statistical mechanics on the one hand and the theory and practice of computer simulation on the other. Sometimes, the initiative for progress has been with the pragmatic requirements of computer simulation and at other times, the initiative has been with the fundamental theory of nonequilibrium processes. This book summarises progress in this field up to 1990"--Publisher's description.
Nonequilibrium Gas Dynamics And Molecular Simulation
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Author : Iain D. Boyd
language : en
Publisher: Cambridge University Press
Release Date : 2017-03-23
Nonequilibrium Gas Dynamics And Molecular Simulation written by Iain D. Boyd 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 2017-03-23 with Technology & Engineering categories.
7.1 Introduction -- 7.2 Rotational Energy Exchange Models -- 7.2.1 Constant Collision Number -- 7.2.2 The Parker Model -- 7.2.3 Variable Probability Exchange Model of Boyd -- 7.2.4 Nonequilibrium Direction Dependent Model -- 7.2.5 Model Results -- 7.3 Vibrational Energy Exchange Models -- 7.3.1 Constant Collision Number -- 7.3.2 The Millikan-White Model -- 7.3.3 Quantized Treatment for Vibration -- 7.3.4 Model Results -- 7.4 Dissociation Chemical Reactions -- 7.4.1 Total Collision Energy Model -- 7.4.2 Redistribution of Energy Following a Dissociation Reaction -- 7.4.3 Vibrationally Favored Dissociation Model -- 7.5 General Chemical Reactions -- 7.5.1 Reaction Rates and Equilibrium Constant -- 7.5.2 Backward Reaction Rates in DSMC -- 7.5.3 Three-Body Recombination Reactions -- 7.5.4 Post-Reaction Energy Redistribution and General Implementation -- 7.5.5 DSMC Solutions for Reacting Flows -- 7.6 Summary -- Appendix A: Generating Particle Properties -- Appendix B: Collisional Quantities -- Appendix C: Determining Post-Collision Velocities -- Appendix D: Macroscopic Properties -- Appendix E: Common Integrals -- References -- Index
Statistical Mechanics Of Nonequilibrium Liquids
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Author : Denis J. Evans
language : en
Publisher: Cambridge University Press
Release Date : 2008-05-08
Statistical Mechanics Of Nonequilibrium Liquids written by Denis J. Evans 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 2008-05-08 with Science categories.
In recent years the interaction between dynamical systems theory and non-equilibrium statistical mechanics has been enormous. The discovery of fluctuation theorems as a fundamental structure common to almost all non-equilibrium systems, and the connections with the free energy calculation methods of Jarzynski and Crooks, have excited both theorists and experimentalists. This graduate-level book charts the development and theoretical analysis of molecular dynamics as applied to equilibrium and non-equilibrium systems. Designed for both researchers in the field and graduate students of physics, it connects molecular dynamics simulation with the mathematical theory to understand non-equilibrium steady states. It also provides a link between the atomic, nano, and macro worlds. The book ends with an introduction to the use of non-equilibrium statistical mechanics to justify a thermodynamic treatment of non-equilibrium steady states, and gives a direction to further avenues of exploration.
Molecular Dynamics Simulation
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Author : Giovanni Ciccotti
language : en
Publisher: MDPI
Release Date : 2018-10-08
Molecular Dynamics Simulation written by Giovanni Ciccotti and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-08 with Electronic book categories.
Printed Edition of the Special Issue Published in Entropy
Dynamics Of First Order Phase Transitions In Equilibrium And Nonequilibrium Systems
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Author : S. W. Koch
language : en
Publisher: Springer
Release Date : 1984-08
Dynamics Of First Order Phase Transitions In Equilibrium And Nonequilibrium Systems written by S. W. Koch and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1984-08 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.
Computational Statistical Mechanics
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Author : W.G. Hoover
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Computational Statistical Mechanics written by W.G. Hoover and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Computational Statistical Mechanics describes the use of fast computers to simulate the equilibrium and nonequilibrium properties of gases, liquids, and solids at, and away from equilibrium. The underlying theory is developed from basic principles and illustrated by applying it to the simplest possible examples. Thermodynamics, based on the ideal gas thermometer, is related to Gibb's statistical mechanics through the use of Nosé-Hoover heat reservoirs. These reservoirs use integral feedback to control temperature. The same approach is carried through to the simulation and analysis of nonequilibrium mass, momentum, and energy flows. Such a unified approach makes possible consistent mechanical definitions of temperature, stress, and heat flux which lead to a microscopic demonstration of the Second Law of Thermodynamics directly from mechanics. The intimate connection linking Lyapunov-unstable microscopic motions to macroscopic dissipative flows through multifractal phase-space structures is illustrated with many examples from the recent literature. The book is well-suited for undergraduate courses in advanced thermodynamics, statistical mechanic and transport theory, and graduate courses in physics and chemistry.
Time Reversibility Computer Simulation Algorithms Chaos
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Author : William Graham Hoover
language : en
Publisher: World Scientific
Release Date : 2012
Time Reversibility Computer Simulation Algorithms Chaos written by William Graham Hoover 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 book begins with a discussion, contrasting the idealized reversibility of basic physics against the pragmatic irreversibility of real life. Computer models, and simulation, are next discussed and illustrated. Simulations provide the means to assimilate concepts through worked-out examples. State-of-the-art analyses, from the point of view of dynamical systems, are applied to many-body examples from nonequilibrium molecular dynamics and to chaotic irreversible flows from finite-difference, finite-element, and particle-based continuum simulations. Two necessary concepts from dynamical-systems theory - fractals and Lyapunov instability - are fundamental to the approach. Undergraduate-level physics, calculus, and ordinary differential equations are sufficient background for a full appreciation of this book, which is intended for advanced undergraduates, graduates, and research workers.
Non Equilibrium Particle Dynamics
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Author : Albert S. Kim
language : en
Publisher: BoD – Books on Demand
Release Date : 2019-12-04
Non Equilibrium Particle Dynamics written by Albert S. Kim and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-12-04 with Science categories.
All engineering processes are processes of non-equilibrium because one or all of heat, mass, and momentum transfer occur in an open system. The pure equilibrium state can be established in an isolated system, in which neither mass nor heat is transferred between the system and the environment. Most engineering transport analyses are based on the semi-, quasi-, or local equilibrium assumptions, which assume that any infinitesimal volume can be treated as a box of equilibrium. This book includes various aspects of non-equilibrium or irreversible statistical mechanics and their relationships with engineering applications. I hope that this book contributes to expanding the predictability of holistic engineering consisting of thermo-, fluid, and particle dynamics.