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Nonequilibrium molecular dynamics : theory, algorithms and applications / Billy D. Todd, Swinburne University of Technology, Peter J. Daivis, Royal Melbourne Institute of Technology

Publisher	(Cambridge : Cambridge University Press)
Year	2017
Authors	*Todd, Billy D. author Daivis, Peter J. author

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Links to the text	Location	Volume	Call No.	Barcode No.	Status	Comments	ISBN	Printed	Restriction	Reserve
Links to the text	Library Off-campus access			OB00194676		Cambridge Core (電子ブック)	9781139017848

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Material Type	E-Book
Media type	機械可読データファイル
Size	1 online resource (x, 359 pages) : digital, PDF file(s)
Notes	Title from publisher's bibliographic system (viewed on 18 Apr 2017) 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 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 HTTP:URL=https://doi.org/10.1017/9781139017848
Subjects	LCSH:Nonequilibrium statistical mechanics LCSH:Nonequilibrium thermodynamics LCSH:Molecular dynamics
Classification	LCC:QC174.86.N65 DC23:541/.394
ID	8000093824
ISBN	9781139017848