Statistical Mechanics Of Nonequilibrium Liquids

Autor: Denis J. Evans
Publisher: Elsevier
ISBN: 1483260453
File Size: 69,78 MB
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Statistical Mechanics of Nonequilibrium Liquids deals with theoretical rheology. The book discusses nonlinear response of systems and outlines the statistical mechanical theory. In discussing the framework of nonequilibrium statistical mechanics, the book explains the derivation of a nonequilibrium analogue of the Gibbsian basis for equilibrium statistical mechanics. The book reviews the linear irreversible thermodynamics, the Liouville equation, and the Irving-Kirkwood procedure. The text then explains the Green-Kubo relations used in linear transport coefficients, the linear response theory, the isothermal linear response theory, as well as the equivalence of thermostatted linear responses. The book also describes how thermostatted linear mechanical response of many-body systems can be related to equilibrium fluctuations. The text explains the procedure for calculating the linear Navier-Stokes transport coefficients through computer simulation algorithms. The book also discusses the van Kampen objection to linear response theory, the steady-state fluctuations, and the thermodynamics of steady states. The text will prove valuable for researchers in molecular chemistry, scientists, and academicians involved in advanced physics.

Statistical Mechanics Of Nonequilibrium Liquids

Autor: Denis J. Evans
Publisher: Cambridge University Press
ISBN: 1139471937
File Size: 44,48 MB
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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.

Statistical Mechanics Of Nonequilibrium Liquids

Autor: Denis J. Evans
Publisher: ANU E Press
ISBN: 1921313234
File Size: 74,56 MB
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"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.

Equilibrium And Non Equilibrium Statistical Mechanics

Autor: Carolyn M. Van Vliet
Publisher: World Scientific
ISBN: 9812704779
File Size: 44,98 MB
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This book encompasses our current understanding of the ensemble approach to many-body physics, phase transitions and other thermal phenomena, as well as the quantum foundations of linear response theory, kinetic equations and stochastic processes. It is destined to be a standard text for graduate students, but it will also serve the specialist-researcher in this fascinating field; some more elementary topics have been included in order to make the book self-contained.The historical methods of J Willard Gibbs and Ludwig Boltzmann, applied to the quantum description rather than phase space, are featured. The tools for computations in the microcanonical, canonical and grand-canonical ensembles are carefully developed and then applied to a variety of classical and standard quantum situations. After the language of second quantization has been introduced, strongly interacting systems, such as quantum liquids, superfluids and superconductivity, are treated in detail. For the connoisseur, there is a section on diagrammatic methods and applications.In the second part dealing with non-equilibrium processes, the emphasis is on the quantum foundations of Markovian behaviour and irreversibility via the Pauli-Van Hove master equation. Justifiable linear response expressions and the quantum-Boltzmann approach are discussed and applied to various condensed matter problems. From this basis the Onsager-Casimir relations are derived, together with the mesoscopic master equation, the Langevin equation and the Fokker-Planck truncation procedure. Brownian motion and modern stochastic problems such as fluctuations in optical signals and radiation fields briefly make the round.

Nonequilibrium Statistical Mechanics

Autor: Robert Zwanzig
Publisher: Oxford University Press
ISBN: 0195140184
File Size: 71,34 MB
Format: PDF
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This is a presentation of the main ideas and methods of modern nonequilibrium statistical mechanics. It is the perfect introduction for anyone in chemistry or physics who needs an update or background in this time-dependent field. Topics covered include fluctuation-dissipation theorem; linear response theory; time correlation functions, and projection operators. Theoretical models are illustrated by real-world examples and numerous applications such as chemical reaction rates and spectral line shapes are covered. The mathematical treatments are detailed and easily understandable and the appendices include useful mathematical methods like the Laplace transforms, Gaussian random variables and phenomenological transport equations.

Theory Of Simple Liquids

Autor: Jean-Pierre Hansen
Publisher: Elsevier
ISBN: 9780080455075
File Size: 80,25 MB
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The third edition of Theory of Simple Liquids is an updated, advanced, but self-contained introduction to the principles of liquid-state theory. It presents the modern, molecular theory of the structural, thermodynamic interfacial and dynamical properties of the liquid phase of materials constituted of atoms, small molecules or ions. This book leans on concepts and methods form classical Statistical Mechanics in which theoretical predictions are systematically compared with experimental data and results from numerical simulations. The overall layout of the book is similar to that of the previous two editions however, there are considerable changes in emphasis and several key additions including: •up-to-date presentation of modern theories of liquid-vapour coexistence and criticality •areas of considerable present and future interest such as super-cooled liquids and the glass transition •the area of liquid metals, which has grown into a mature subject area, now presented as part of the chapter ionic liquids •Provides cutting-edge research in the principles of liquid-state theory •Includes frequent comparisons of theoretical predictions with experimental and simulation data •Suitable for researchers and post-graduates in the field of condensed matter science (Physics, Chemistry, Material Science), biophysics as well as those in the oil industry

Statistical Mechanics Of Nonequilibrium Liquids

Autor: Gerain Coleman
Publisher:
ISBN: 9781680953138
File Size: 58,38 MB
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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 have excited both theorists and experimentalists. Mechanics provides a complete microscopic description of the state of a sytem. When the equations of motion are combined with initial conditions and boundary conditions, the subsequent time evolution of a classical system can be predicted. The book "Statistical Mechanics of Nonequilibrium Liquids" is divided into six chapters. The purpose of first chapter is to establish a time-reversal symmetry relation valid out of equilibrium for the fluctuating Boltzmann equation. The Hamiltonian dynamics, Nanosystems, and nonequilibrium statistical mechanics have described in second chapter. Third chapter reviews the advantages which stem from using methods of optional control theory and variational calculus in non-equilibrium thermodynamics rather on typical phenomenological descriptions. The theory of nanoequilibrium liquid-vapor interface has been described in fourth chapter. The equations of motion in nanoequilibrium statistical mechanics for nanoextensive systems have been presented in fifth chapter. In last chapter, we describe a method of constructing exact solutions of the equations of molecular dynamics in non-equilibrium settings.

Nonequilibrium Molecular Dynamics

Autor: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 1316982475
File Size: 35,25 MB
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Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.

Statistical Physics Of Crystals And Liquids

Autor: Duane C Wallace
Publisher: World Scientific
ISBN: 9814487805
File Size: 32,74 MB
Format: PDF
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This important book presents a unified formulation from first principles of the Hamiltonian and statistical mechanics of metallic and insulating crystals, amorphous solids, and liquids. Extensive comparison of theory and experiment provides an accurate understanding of the statistical properties of phonons, electrons, and phonon–phonon and electron–phonon interactions in elemental crystals and liquids. Questions are posed along the following lines: What is the “best” theory for a given property? How accurate is a good theory? What information is gained by a comparison of theory and experiment? How accurate is a good experiment? Contents:Condensed Matter HamiltonianStatistical MechanicsLattice DynamicsStatistical Mechanics of CrystalsLiquid Dynamics and Statistical MechanicsPhase Transitions and Nonequilibrium Processes Readership: Researchers, academics and graduate students in condensed matter physics. Keywords:Condensed Matter Hamiltonian;Statistical Mechanics;Lattice Dynamics;Crystals;Liquid Dynamics;Phase Transitions;Metastable StatesReviews:“This is a valuable and clearly written book in an important area of condensed matter theory. There is extensive contact between theoretical predictions and experiments. For both students and young research workers there are useful collections of problems which lead to further insight into the area covered. Quantitative equations of state are given prominence.”Norman H March Oxford University “This is an authoritative account of the physics and thermodynamics behind an understanding of the equation of state. It concentrates on elements and the use of pseudopotential perturbation theory for the simple metals provides insight and a basis for computer simulations. The account combines careful theoretical analyses, and Local-Density-Theory results, with interpretation of the best experimental data available and may be unique in incorporating the liquid, as well as the crystalline state. The very complete set of problems included would make it very appropriate as the text for a general course on the equation of state.”Walt Harrison Stanford University “Whatever the author does, he does it first class. His book is something we use to gauge excellence in the field, and I have no doubt that this one will be no exception. But this book is different from other books he wrote. It is more personal in that he has not hesitated to express his personal views strongly, but in a scholarly fashion.”Y Horie Los Alamos National Laboratory “This is a book of condensed matter physics that gives equal emphasis to solids and liquids. The author focuses on the equation of state of the simple elements and reviews the methods for passing from the Hamiltonian through statistical mechanics to the equation of state of the solid and liquid and the computation of the melting curve. For the reader who wants an introduction to the capability of modern statistical physics for accurate prediction of thermodynamic functions, this is the book.”David Young Lawrence Livermore National Laboratory “This book, in my mind, represents an extremely powerful resource to any researcher working in condensed matter physics and especially equation of state theory. It is clear from 'Statistical Physics of Crystals and Liquids' that Dr Wallace has a special gift of taking complex physics concepts and explaining them with the greatest of clarity. His ability clearly distinguishes this book from those written by more novice authors … In summary, I believe this book should be highly marketed as I expect that there is a large condensed matter community that would benefit from reading it.”Brad Clements Los Alamos National Laboratory “The three investigated subjects, only fragments of which are covered in other textbooks and research treatises, make this book a very useful one for specialists in statistical mechanics and structure of matter.”Zentralblatt MATH “… the book comprises a brisk overview of solids that reaches timely topics of nonequilibrium processes … its structure lends itself well to being used as an instructional text in either an advanced undergraduate course or a graduate treatment of the subject … The review of statistical mechanics is straightforward to anyone with prior exposure to the subject, and is nearly complete … Wallace has done an excellent job of achieving the goals set out in the introduction of the book in a format that is clean and easy to read with a notation that is not confusing.”MRS Bulletin “This book covers ‘equation of state’ but also atomic dynamics. In these fields it offers a useful summary of methods and results, which prove how successful modern computational methods have become.”Contemporary Physics