Nonequilibrium Molecular Dynamics - Todd, Billy D. (Swinburne University of Technology, Victoria); Daivis, Peter J. (Royal Melbourne Institute of Technology)
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"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…mehr

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Produktbeschreibung
"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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Autorenporträt
Billy D. Todd undertook his bachelor and doctoral studies in physics at the University of Western Australia and Murdoch University in Perth, Australia. He then completed postdoctoral appointments at the University of Cambridge and the Australian National University, before moving to the Commonwealth Scientific and Industrial Research Organisation (CSIRO) in Melbourne in 1996. In 1999 he took up an academic appointment at Swinburne University of Technology, Victoria where he is currently Professor and Chair of the Department of Mathematics. His research focus is on statistical mechanics, nonequilibrium molecular dynamics and computational nanofluidics. He is a Fellow of the Australian Institute of Physics and a former President of the Australian Society of Rheology.