Viscosity calculations at molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Transient molecular dynamics simulations of viscosity for simple fluids.
A transient molecular dynamics (TMD) method has been developed for simulation of fluid viscosity. In this method a sinusoidal velocity profile is instantaneously overlaid onto equilibrated molecular velocities, and the subsequent decay of that velocity profile is observed. The viscosity is obtained by matching in a least-squares sense the analytical solution of the corresponding momentum transp...
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Two methods for predicting phonon frequencies and relaxation times are presented. The first is based on quasiharmonic and anharmonic lattice dynamics calculations, and the second is based on a combination of quasiharmonic lattice dynamics calculations and molecular dynamics simulations. These phonon properties are then used with the Boltzmann transport equation under the relaxation-time approxi...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2015
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/653/1/012106