Billy D. Todd

Nonequilibrium Molecular Dynamics (eBook, ePUB)

Theory, Algorithms and Applications

• Format: ePub

Produktbeschreibung

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.

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Produktdetails

• Verlag: Cambridge University Press
• Erscheinungstermin: 10. März 2017
• Englisch
• ISBN-13: 9781316981368
• Artikelnr.: 53007240

Autorenporträt

Billy D. Todd undertook his bachelor and doctoral studies in physics at the University of Western Australia and Murdoch University in Perth, Australia. He then completed postdoctoral appointments at the University of Cambridge and the Australian National University, before moving to the Commonwealth Scientific and Industrial Research Organisation (CSIRO) in Melbourne in 1996. In 1999 he took up an academic appointment at Swinburne University of Technology, Victoria where he is currently Professor and Chair of the Department of Mathematics. His research focus is on statistical mechanics, nonequilibrium molecular dynamics and computational nanofluidics. He is a Fellow of the Australian Institute of Physics and a former President of the Australian Society of Rheology.

Inhaltsangabe

1. Introduction
2. Nonequilibrium thermodynamics
3. Statistical mechanical foundations
4. Temperature and thermodynamic fluxes
5. Homogenous flows for atomic fluids - theory
6. Homogenous flows for atomic fluids - applications
7. Homogenous heat and mass transport
8. Homogenous flows for molecular fluids
9. Inhomogenous flows for atomic fluids
10. Confined molecular fluids
11. Generalised hydrodynamics and slip.