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Nonequilibrium molecular dynamics : ...

Daivis, Peter J.

Nonequilibrium molecular dynamics : = theory, algorithms and applications /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Nonequilibrium molecular dynamics :/ Billy D. Todd, Peter J. Daivis.
其他題名:	theory, algorithms and applications /
作者:	Todd, Billy D.
其他作者:	Daivis, Peter J.
出版者:	Cambridge, United Kingdom ;Cambridge University Press, : c2017.,
面頁冊數:	x, 359 p. :ill. ; : 26 cm.;
標題:	Molecular dynamics. -
電子資源:	https://www.loc.gov/catdir/enhancements/fy1702/2016044167-b.html
電子資源:	https://www.loc.gov/catdir/enhancements/fy1702/2016044167-d.html
電子資源:	https://www.loc.gov/catdir/enhancements/fy1702/2016044167-t.html
ISBN:	9780521190091 :

Nonequilibrium molecular dynamics : = theory, algorithms and applications /
Todd, Billy D.

Nonequilibrium molecular dynamics :theory, algorithms and applications /Billy D. Todd, Peter J. Daivis. - Cambridge, United Kingdom ;Cambridge University Press,c2017. - x, 359 p. :ill. ;26 cm.

Includes bibliographical references (p. [335]-353) and index.

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.

"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"--

ISBN: 9780521190091 :NT2854

LCCN: 2016044167Subjects--Topical Terms:

580431
Molecular dynamics.

LC Class. No.: QC174.86.N65 / T63 2017

Dewey Class. No.: 541/.394

Nonequilibrium molecular dynamics : = theory, algorithms and applications /
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504 $a Includes bibliographical references (p. [335]-353) and index.
505 0 $a 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.
520 $a "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"-- $c Provided by publisher.
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