Nonequilibrium Gas Dynamics and Molecular Simulation

Nonequilibrium Gas Dynamics and Molecular Simulation PDF Author: Iain D. Boyd
Publisher: Cambridge University Press
ISBN: 1316871371
Category : Technology & Engineering
Languages : en
Pages : 383

Get Book Here

Book Description
This current and comprehensive book provides an updated treatment of molecular gas dynamics topics for aerospace engineers, or anyone researching high-temperature gas flows for hypersonic vehicles and propulsion systems. It demonstrates how the areas of quantum mechanics, kinetic theory, and statistical mechanics can combine in order to facilitate the study of nonequilibrium processes of internal energy relaxation and chemistry. All of these theoretical ideas are used to explain the direct simulation Monte Carlo (DSMC) method, a numerical technique based on molecular simulation. Because this text provides comprehensive coverage of the physical models available for use in the DSMC method, in addition to the equations and algorithms required to implement the DSMC numerical method, readers will learn to solve nonequilibrium flow problems and perform computer simulations, and obtain a more complete understanding of various physical modeling options for DSMC than is available in other texts.

Nonequilibrium Gas Dynamics and Molecular Simulation

Nonequilibrium Gas Dynamics and Molecular Simulation PDF Author: Iain D. Boyd
Publisher: Cambridge University Press
ISBN: 1316871371
Category : Technology & Engineering
Languages : en
Pages : 383

Get Book Here

Book Description
This current and comprehensive book provides an updated treatment of molecular gas dynamics topics for aerospace engineers, or anyone researching high-temperature gas flows for hypersonic vehicles and propulsion systems. It demonstrates how the areas of quantum mechanics, kinetic theory, and statistical mechanics can combine in order to facilitate the study of nonequilibrium processes of internal energy relaxation and chemistry. All of these theoretical ideas are used to explain the direct simulation Monte Carlo (DSMC) method, a numerical technique based on molecular simulation. Because this text provides comprehensive coverage of the physical models available for use in the DSMC method, in addition to the equations and algorithms required to implement the DSMC numerical method, readers will learn to solve nonequilibrium flow problems and perform computer simulations, and obtain a more complete understanding of various physical modeling options for DSMC than is available in other texts.

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 0521190096
Category : Science
Languages : en
Pages : 371

Get Book Here

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

Rarefied Gas Dynamics

Rarefied Gas Dynamics PDF Author: Ching Shen
Publisher: Springer Science & Business Media
ISBN: 3540272305
Category : Science
Languages : en
Pages : 406

Get Book Here

Book Description
Aerodynamics is a science engaged in the investigation of the motion of air and other gases and their interaction with bodies, and is one of the most important bases of the aeronautic and astronautic techniques. The continuous improvement of the configurations of the airplanes and the space vehicles aid the constant enhancement of their performances are closely related with the development of the aerodynamics. In the design of new flying vehicles the aerodynamics will play more and more important role. The undertakings of aeronautics and astronautics in our country have gained achievements of world interest, the aerodynamics community has made outstanding contributions for the development of these undertakings and the science of aerodynamics. To promote further the development of the aerodynamics, meet the challenge in the new century, summary the experience, cultivate the professional personnel and to serve better the cause of aeronautics and astronautics and the national economy, the present Series of Modern Aerodynamics is organized and published.

Rarefied Gas Dynamics

Rarefied Gas Dynamics PDF Author: Carlo Cercignani
Publisher: Cambridge University Press
ISBN: 9780521659925
Category : Mathematics
Languages : en
Pages : 348

Get Book Here

Book Description
The aim of this book is to present the concepts, methods and applications of kinetic theory to rarefied gas dynamics. After introducing the basic tools, problems in plane geometry are treated using approximation techniques (perturbation and numerical methods). These same techniques are later used to deal with two- and three-dimensional problems. The models include not only monatomic but also polyatomic gases, mixtures, chemical reactions. A special chapter is devoted to evaporation and condensation phenomena. Each section is accompanied by problems which are mainly intended to demonstrate the use of the material in the text and to outline additional subjects, results and equations. This will help ensure that the book can be used for a range of graduate courses in aerospace engineering or applied mathematics.

Molecular Dynamics Simulation

Molecular Dynamics Simulation PDF Author: Giovanni Ciccotti
Publisher: MDPI
ISBN: 3906980650
Category : Science
Languages : en
Pages : 627

Get Book Here

Book Description
Printed Edition of the Special Issue Published in Entropy

The Art of Molecular Dynamics Simulation

The Art of Molecular Dynamics Simulation PDF Author: D. C. Rapaport
Publisher: Cambridge University Press
ISBN: 9780521825689
Category : Science
Languages : en
Pages : 568

Get Book Here

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

Quantum Gases

Quantum Gases PDF Author: Nick Proukakis
Publisher: World Scientific
ISBN: 1848168128
Category : Science
Languages : en
Pages : 579

Get Book Here

Book Description
This volume provides a broad overview of the principal theoretical techniques applied to non-equilibrium and finite temperature quantum gases. Covering Bose-Einstein condensates, degenerate Fermi gases, and the more recently realised exciton-polariton condensates, it fills a gap by linking between different methods with origins in condensed matter physics, quantum field theory, quantum optics, atomic physics, and statistical mechanics.

Understanding Molecular Simulation

Understanding Molecular Simulation PDF Author: Daan Frenkel
Publisher: Elsevier
ISBN: 0080519989
Category : Science
Languages : en
Pages : 661

Get Book Here

Book Description
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.

Statistical Mechanics of Nonequilibrium Liquids

Statistical Mechanics of Nonequilibrium Liquids PDF Author: Denis J. Evans
Publisher: ANU E Press
ISBN: 1921313234
Category : Science
Languages : en
Pages : 318

Get Book Here

Book Description
"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.

The DSMC Method

The DSMC Method PDF Author: G. A. Bird
Publisher:
ISBN: 9781492112907
Category : Monte Carlo method
Languages : en
Pages : 300

Get Book Here

Book Description
Direct Simulation Monte Carlo is a well-established method for the computer simulation of a gas flow at the molecular level. While there is a limit to the size of the flow-field with respect to the molecular mean free path, personal computers now allow solutions well into the continuum flow regime. The method can be applied to basic problems in gas dynamics and practical applications range from microelectromechanics systems (MEMS) to astrophysical flows. DSMC calculations have assisted in the design of vacuum systems, including those for semiconductor manufacture, and of many space vehicles and missions. The method was introduced by the author fifty years ago and it has been the subject of two monographs that have been published by Oxford University Press. It is now twenty years since the second of these was written and, since that time, most DSMC procedures have been superseded or significantly modified. In addition, visual interactive DSMC application programs have been developed that have proved to be readily applicable by non-specialists to a wide variety of practical problems. The computational variables are set automatically within the code and the programs report whether or not the criteria for a good calculation have been met. This book is concerned with the theory behind the current DSMC molecular models and procedures, with their integration into general purpose programs, and with the validation and demonstration of these programs. The DSMC and associated programs, including all source codes, can be freely downloaded through links that are provided in the book. The main accompanying program is simply called the "DSMC program" and, in future versions of the book, it will be applicable to homogeneous (or zero-dimensional) flows through to three-dimensional flow. All DSMC simulations are time-accurate unsteady calculations, but the flow may become steady at large times. The current version of the DSMC code is applicable only to zero and one-dimensional flows and the older DS2V code is employed for the two-dimensional validation and demonstration cases. It is because of this temporary use of the older and well-proven program that the DS2V source code is made freely available for the first time. Most of the homogeneous flow cases are validation studies, but include internal mode relaxation studies and spontaneous and forced ignition leading to combustion in an oxygen-hydrogen mixture. The one-dimensional cases include the structure of a re-entry shock wave that takes into account electronic excitation as well as dissociation, recombination and exchange reactions. They also include a spherically imploding shock wave and a spherical blast wave. The two-dimensional and axially-symmetric demonstration cases range from a typical MEMS flow to aspects of the flow around rotating planets. Intermediate cases include the formation and structure of a combustion wave, a vacuum pump driven by thermal creep, a typical vacuum processing chamber, and the flow around a typical re-entry vehicle