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Nonequilibrium molecular dynamics : theory, algorithms and applications

Author: Billy D Todd; Peter J Daivis
Publisher: Cambridge, United Kingdom ; New York, NY : Cambridge University Press, 2017. ©2017
Edition/Format:   Print book : EnglishView all editions and formats
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  Read more...
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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Billy D Todd; Peter J Daivis
ISBN: 9780521190091 0521190096
OCLC Number: 959262400
Description: x, 359 pages ; 27 cm
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.
Responsibility: Billy D. Todd (Swinburne University of Technology), Peter J. Daivis (RMIT University).
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Abstract:

Written by two specialists with over twenty-five years of experience, this book explains a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). This coherent  Read more...

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