Computer Simulation Of Liquids
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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 Simulation Using Particles
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Author : R.W Hockney
language : en
Publisher: CRC Press
Release Date : 2021-03-24
Computer Simulation Using Particles written by R.W Hockney and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-24 with Science categories.
Computer simulation of systems has become an important tool in scientific research and engineering design, including the simulation of systems through the motion of their constituent particles. Important examples of this are the motion of stars in galaxies, ions in hot gas plasmas, electrons in semiconductor devices, and atoms in solids and liquids. The behavior of the system is studied by programming into the computer a model of the system and then performing experiments with this model. New scientific insight is obtained by observing such computer experiments, often for controlled conditions that are not accessible in the laboratory. Computer Simulation using Particles deals with the simulation of systems by following the motion of their constituent particles. This book provides an introduction to simulation using particles based on the NGP, CIC, and P3M algorithms and the programming principles that assist with the preparations of large simulation programs based on the OLYMPUS methodology. It also includes case study examples in the fields of astrophysics, plasmas, semiconductors, and ionic solids as well as more detailed mathematical treatment of the models, such as their errors, dispersion, and optimization. This resource will help you understand how engineering design can be assisted by the ability to predict performance using the computer model before embarking on costly and time-consuming manufacture.
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 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.
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.
Fluid Simulation For Computer Graphics
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Author : Robert Bridson
language : en
Publisher: CRC Press
Release Date : 2015-09-18
Fluid Simulation For Computer Graphics written by Robert Bridson and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-09-18 with Computers categories.
A practical introduction, the second edition of Fluid Simulation for Computer Graphics shows you how to animate fully three-dimensional incompressible flow. It covers all the aspects of fluid simulation, from the mathematics and algorithms to implementation, while making revisions and updates to reflect changes in the field since the first edition. Highlights of the Second Edition New chapters on level sets and vortex methods Emphasizes hybrid particle–voxel methods, now the industry standard approach Covers the latest algorithms and techniques, including: fluid surface reconstruction from particles; accurate, viscous free surfaces for buckling, coiling, and rotating liquids; and enhanced turbulence for smoke animation Adds new discussions on meshing, particles, and vortex methods The book changes the order of topics as they appeared in the first edition to make more sense when reading the first time through. It also contains several updates by distilling author Robert Bridson’s experience in the visual effects industry to highlight the most important points in fluid simulation. It gives you an understanding of how the components of fluid simulation work as well as the tools for creating your own animations.
Stochastic Processes In Polymeric Fluids
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Author : Hans C. Öttinger
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Stochastic Processes In Polymeric Fluids written by Hans C. Öttinger 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 Technology & Engineering categories.
A SPECTER is haunting the scientific world-the specter of com puters. All the powers of traditional science have entered into a holy alliance to exorcise this specter: puristic theoreticians and tradition alistic experimentalists, editors and referees of prestigious journals, philosophers of science and mathematicians. Where is a pioneering computer simulation that has not been decried as unreliable by its opponents in power? The Computer Manifesto As a result of the enormous progress in computer technology made during the last few decades, computer simulations have become a very powerful and widely applicable tool in science and engineering. The main purpose of this . book is a comprehensive description of the background and possibilities for the application of computer simulation techniques in polymer fluid dynamics. Mod eling and understanding the flow behavior of polymeric liquids on the kinetic theory level is not merely a great intellectual challenge but rather a matter of immense practical importance, for example, in connection with plastics manu facture, processing of foods, and movement of biological fluids. The classical computer simulation technique for static problems in statis tical mechanics is the Monte Carlo method developed in the early 1950s. The name of this method underlines how unusual and strange the idea of using ran dom numbers in the exact sciences is at first glance. However, the Monte Carlo method is a rigorous and efficient means for evaluating moments and static spa tial correlation functions for given probability distributions.
Theory Of Simple Liquids
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Author : Jean-Pierre Hansen
language : en
Publisher: Elsevier
Release Date : 1990-09-24
Theory Of Simple Liquids written by Jean-Pierre Hansen and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990-09-24 with Science categories.
This book gives a comprehensive and up-to-date treatment of the theory of "simple" liquids. The new second edition has been rearranged and considerably expanded to give a balanced account both of basic theory and of the advances of the past decade. It presents the main ideas of modern liquid state theory in a way that is both pedagogical and self-contained. The book should be accessible to graduate students and research workers, both experimentalists and theorists, who have a good background in elementary mechanics. - Compares theoretical deductions with experimental results - Molecular dynamics - Monte Carlo computations - Covers ionic, metallic, and molecular liquids
Molecular Dynamics Simulation
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Author : J. M. Haile
language : en
Publisher: Wiley-Interscience
Release Date : 1992-06-05
Molecular Dynamics Simulation written by J. M. Haile and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-06-05 with Technology & Engineering categories.
"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes