Verfasst von:	Todd, Billy D. [VerfasserIn]
	Daivis, Peter J. [VerfasserIn]
Titel:	Nonequilibrium molecular dynamics
Titelzusatz:	theory, algorithms and applications
Verf.angabe:	Billy D. Todd (Swinburne University of Technology), Peter J. Daivis (Royal Melbourne Institute of Technology)
Verlagsort:	Cambridge, United Kingdom ; New York, NY, USA ; Port Melbourne, Australia ; Delhi, India ; Singapore
Verlag:	Cambridge University Press
Jahr:	2017
Umfang:	x, 359 Seiten
Illustrationen:	Illustrationen, Diagramme
Fussnoten:	Includes bibliographical references and index
ISBN:	0-521-19009-6
	978-0-521-19009-1
Abstract:	"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"--
	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
URL:	Autorenbiografie ; Verlag: https://www.loc.gov/catdir/enhancements/fy1702/2016044167-b.html
	Verlagsangaben ; Verlag: https://www.loc.gov/catdir/enhancements/fy1702/2016044167-d.html
	Inhaltsverzeichnis ; Verlag: https://www.loc.gov/catdir/enhancements/fy1702/2016044167-t.html
	Inhaltstext: https://zbmath.org/?q=an:1366.81006
Schlagwörter:	(s)Nichtgleichgewichtsthermodynamik    / (s)Nichtgleichgewichtsstatistik    / (s)Molekularbewegung
Sprache:	eng
RVK-Notation:	UG 2000
K10plus-PPN:	870397893