Nonequilibrium molecular dynamics: theory, algorithms and applications
"This book describes the growing field of nonequilibrium molecular dynamics (NEMD), written in the form that will appeal to the general practitioner in molecular simulation. It introduces the theory fundamental to the field, namely nonequilibrium statistical mechanics and nonequilibrium thermodynamics, provides state-of-the-art algorithms and advice for designing reliable NEMD code, and examines applications for both atomic and molecular fluids. It discusses homogenous and inhomogeneous flows a…
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- Full title :Nonequilibrium molecular dynamics : theory, algorithms and applications / Billy D. Todd, Swinburne University of Technology, Peter J. Daivis, Royal Melbourne Institute of Technology.
Summary
"This book describes the growing field of nonequilibrium molecular dynamics (NEMD), written in the form that will appeal to the general practitioner in molecular simulation. It introduces the theory fundamental to the field, namely nonequilibrium statistical mechanics and nonequilibrium thermodynamics, provides state-of-the-art algorithms and advice for designing reliable NEMD code, and examines applications for both atomic and molecular fluids. It discusses homogenous and inhomogeneous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers such themes as temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogeneous 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"--
Read More ↓Edition Statements
- Publication Date:©2017
Publication Statements
- Publisher(s):Cambridge University Press
- Place of Publication:Cambridge, United Kingdom
- Language:eng
- Publication Date:©2017
The Physical Object
- Description:1 online resource (x, 359 pages)
Edition Identifiers
- ISBN:9781139017848, 1139017845
- oclc:ocn978598583
- LC Classification:QC174.86.N65
- Dewey Decimal:541/.394
Table of Contents
Nonequilibrium thermodynamics -- Statistical mechanical foundations -- Temperature and thermodynamic fluxes -- Homogeneous flows for atomic fluids: theory -- Homogeneous flows for atomic fluids: applications -- Homogeneous heat and mass transport -- Homogeneous flows for molecular fluids -- Inhomogeneous flows for atomic fluids -- Confined molecular fluids -- Generalised hydrodynamics and slip.
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