[PDF] Nonequilibrium Molecular Dynamics eBook

Nonequilibrium Molecular Dynamics Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Nonequilibrium Molecular Dynamics book. This book definitely worth reading, it is an incredibly well-written.

Nonequilibrium Molecular Dynamics

Author : Billy D. Todd
Publisher : Cambridge University Press
Page : 371 pages
File Size : 17,35 MB
Release : 2017-03-10
Category : Science
ISBN : 0521190096

GET BOOK

This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.

Nonequilibrium Gas Dynamics and Molecular Simulation

Author : Iain D. Boyd
Publisher : Cambridge University Press
Page : 383 pages
File Size : 17,39 MB
Release : 2017-03-23
Category : Science
ISBN : 1107073448

GET BOOK

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

Molecular Dynamics Simulation

Author : Giovanni Ciccotti
Publisher : MDPI
Page : 627 pages
File Size : 39,67 MB
Release : 2018-10-08
Category : Science
ISBN : 3906980650

GET BOOK

Printed Edition of the Special Issue Published in Entropy

Computational Statistical Mechanics

Author : W.G. Hoover
Publisher : Elsevier
Page : 330 pages
File Size : 16,98 MB
Release : 2012-12-02
Category : Science
ISBN : 0444596593

GET BOOK

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.

The Art of Molecular Dynamics Simulation

Author : D. C. Rapaport
Publisher : Cambridge University Press
Page : 568 pages
File Size : 29,35 MB
Release : 2004-04
Category : Science
ISBN : 9780521825689

GET BOOK

First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.

Statistical Mechanics of Nonequilibrium Liquids

Author : Denis J. Evans
Publisher : ANU E Press
Page : 318 pages
File Size : 13,60 MB
Release : 2007-08-01
Category : Science
ISBN : 1921313234

GET BOOK

"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.

Time Reversibility, Computer Simulation, Algorithms, Chaos

Author : William Graham Hoover
Publisher : World Scientific
Page : 426 pages
File Size : 29,10 MB
Release : 2012
Category : Mathematics
ISBN : 9814383163

GET BOOK

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.

Statistical Physics of Biomolecules

Author : Daniel M. Zuckerman
Publisher : CRC Press
Page : 356 pages
File Size : 19,88 MB
Release : 2010-06-02
Category : Mathematics
ISBN : 1420073796

GET BOOK

From the hydrophobic effect to protein-ligand binding, statistical physics is relevant in almost all areas of molecular biophysics and biochemistry, making it essential for modern students of molecular behavior. But traditional presentations of this material are often difficult to penetrate. Statistical Physics of Biomolecules: An Introduction brin

Plasma Catalysis

Author : Annemie Bogaerts
Publisher : MDPI
Page : 248 pages
File Size : 48,86 MB
Release : 2019-04-02
Category : Technology & Engineering
ISBN : 3038977500

GET BOOK

Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC remediation). Plasma catalysis allows thermodynamically difficult reactions to proceed at ambient pressure and temperature, due to activation of the gas molecules by energetic electrons created in the plasma. However, plasma is very reactive but not selective, and thus a catalyst is needed to improve the selectivity. In spite of the growing interest in plasma catalysis, the underlying mechanisms of the (possible) synergy between plasma and catalyst are not yet fully understood. Indeed, plasma catalysis is quite complicated, as the plasma will affect the catalyst and vice versa. Moreover, due to the reactive plasma environment, the most suitable catalysts will probably be different from thermal catalysts. More research is needed to better understand the plasma–catalyst interactions, in order to further improve the applications.

Non-equilibrium Dynamics of One-Dimensional Bose Gases

Author : Tim Langen
Publisher : Springer
Page : 154 pages
File Size : 39,2 MB
Release : 2015-05-22
Category : Science
ISBN : 3319185640

GET BOOK

This work presents a series of experiments with ultracold one-dimensional Bose gases, which establish said gases as an ideal model system for exploring a wide range of non-equilibrium phenomena. With the help of newly developed tools, like full distributions functions and phase correlation functions, the book reveals the emergence of thermal-like transient states, the light-cone-like emergence of thermal correlations and the observation of generalized thermodynamic ensembles. This points to a natural emergence of classical statistical properties from the microscopic unitary quantum evolution, and lays the groundwork for a universal framework of non-equilibrium physics. The thesis investigates a central question that is highly contested in quantum physics: how and to which extent does an isolated quantum many-body system relax? This question arises in many diverse areas of physics, and many of the open problems appear at vastly different energy, time and length scales, ranging from high-energy physics and cosmology to condensed matter and quantum information. A key challenge in attempting to answer this question is the scarcity of quantum many-body systems that are both well isolated from the environment and accessible for experimental study.