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Nonequilibrium Molecular Dynamics : Theory, Algorithms and Applications

By: (Author) Billy D. Todd , (Author) Peter J. Daivis

Manufacture on Demand

Ksh 13,500.00

Format: Hardback or Cased Book

ISBN-10: 0521190096

ISBN-13: 9780521190091

Publisher: Cambridge University Press

Imprint: Cambridge University Press

Country of Manufacture: US

Country of Publication: GB

Publication Date: Mar 10th, 2017

Print length: 367 Pages

Weight: 852 grams

Dimensions (height x width x thickness): 26.30 x 18.50 x 2.40 cms

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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 collection of theory, algorithms, and illustrative results will appeal to graduate students, as well as specialist and non-specialist practitioners.
"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"--

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