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Nonequilibrium Molecular Dynamics - Theory, Algorithms and Applications (Hardcover)
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Nonequilibrium Molecular Dynamics - Theory, Algorithms and Applications (Hardcover)
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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.
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