Statistical Mechanics of Nonequilibrium Liquids

Author: Denis J. Evans
Publisher: Elsevier
ISBN: 1483260453
Format: PDF, ePub, Mobi
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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

Author: Denis J. Evans
Publisher: Cambridge University Press
ISBN: 1139471937
Format: PDF, Kindle
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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

Author: Denis J. Evans
Publisher: ANU E Press
ISBN: 1921313234
Format: PDF
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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

Author: Carolyn M. Van Vliet
Publisher: World Scientific
ISBN: 9812704779
Format: PDF, Docs
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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

Author: Robert Zwanzig
Publisher: Oxford University Press
ISBN: 0195140184
Format: PDF, Docs
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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.

Computational Statistical Mechanics

Author: W.G. Hoover
Publisher: Elsevier
ISBN: 0444596593
Format: PDF, Kindle
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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.

Nonequilibrium Statistical Physics

Author: Roberto Livi
Publisher: Cambridge University Press
ISBN: 1108364047
Format: PDF, ePub
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Statistical mechanics has been proven to be successful at describing physical systems at thermodynamic equilibrium. Since most natural phenomena occur in nonequilibrium conditions, the present challenge is to find suitable physical approaches for such conditions: this book provides a pedagogical pathway that explores various perspectives. The use of clear language, and explanatory figures and diagrams to describe models, simulations and experimental findings makes the book a valuable resource for undergraduate and graduate students, and also for lecturers organizing teaching at varying levels of experience in the field. Written in three parts, it covers basic and traditional concepts of nonequilibrium physics, modern aspects concerning nonequilibrium phase transitions, and application-orientated topics from a modern perspective. A broad range of topics is covered, including Langevin equations, Levy processes, directed percolation, kinetic roughening and pattern formation.

Theory of Simple Liquids

Author: Jean-Pierre Hansen
Publisher: Elsevier
ISBN: 9780080455075
Format: PDF
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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

Nonequilibrium Molecular Dynamics

Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 1316982475
Format: PDF, ePub, Docs
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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.