Computer Simulation and Interpretation of the Transport Coefficients of the Lennard-Jones Model Fluid PDF Download
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Author: Karsten Meier
Publisher:
ISBN: 9783832209681
Category :
Languages : en
Pages : 263
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Book Description
Author: Karsten Meier
Publisher:
ISBN: 9783832209681
Category :
Languages : en
Pages : 263
Get Book Here
Book Description
Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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Book Description
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.
Author: W.G. Hoover
Publisher: Elsevier
ISBN: 0444596593
Category : Science
Languages : en
Pages : 330
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Book Description
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.
Author: Jean-Pierre Hansen
Publisher: Elsevier
ISBN: 0080571018
Category : Science
Languages : en
Pages : 569
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Book Description
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
Author: Ali Eftekhari
Publisher: Royal Society of Chemistry
ISBN: 1782629602
Category : Science
Languages : en
Pages : 564
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Book Description
The series covers the fundamentals and applications of different smart material systems from renowned international experts.
Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 0521190096
Category : Science
Languages : en
Pages : 371
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Book Description
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Author: Angel Mulero
Publisher: Springer
ISBN: 3540787674
Category : Science
Languages : en
Pages : 568
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Book Description
Hard spheres and related objects (hard disks and mixtures of hard systems) are paradigmatic systems: indeed, they have served as a basis for the theoretical and numerical development of a number of fields, such as general liquids and fluids, amorphous solids, liquid crystals, colloids and granular matter, to name but a few. The present volume introduces and reviews some important basics and progress in the study of such systems. Their structure, thermodynamic properties, equations of state, as well as kinetic and transport properties are considered from different and complementary points of view. This book addresses graduate students, lecturers as well as researchers in statistical mechanics, physics of liquids, physical chemistry and chemical engineering.
Author: Jürgen Millat
Publisher: Cambridge University Press
ISBN: 0521461782
Category : Science
Languages : en
Pages : 501
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Book Description
The most reliable methods available for evaluating the transport properties of pure gases and fluid mixtures.
Author: Jean Pierre Boon
Publisher: Courier Corporation
ISBN: 9780486669496
Category : Science
Languages : en
Pages : 452
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Book Description
A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. "Quite well organized . . . the literature coverage is impressive." — Physics Today. 110 illustrations.
Author: J. M. Haile
Publisher: Wiley-Interscience
ISBN: 9780471184393
Category : Technology & Engineering
Languages : en
Pages : 0
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Book Description
"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
