Nonequilibrium Molecular Dynamics: Theory, Algorithms and - download pdf or read online

By Billy D. Todd,Peter J. Daivis

ISBN-10: 0521190096

ISBN-13: 9780521190091

Written by means of experts with over twenty-five years of expertise within the box, this important textual content offers a variety of subject matters in the transforming into box of nonequilibrium molecular dynamics (NEMD). It introduces theories that are primary to the sphere - specifically, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and gives state of the art algorithms and suggestion for designing trustworthy NEMD code, in addition to analyzing functions for either atomic and molecular fluids. It discusses homogenous and inhomogenous flows and will pay significant consciousness to hugely restrained fluids, reminiscent of nanofluidics. as well as statistical mechanics and thermodynamics, the e-book covers the subjects of temperature and thermodynamic fluxes and their computation, the idea and algorithms for homogenous shear and elongational flows, reaction idea and its purposes, warmth and mass delivery algorithms, functions in molecular rheology, hugely restrained fluids (nanofluidics), the phenomenon of slip and the way to compute it from easy microscopic rules, and generalized hydrodynamics.

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