Shear Viscosity via Periodic Nonequilibrium Molecular Dynamics
نویسنده
چکیده
Naitoh and Ono, by Simulating Couette flow, re cently measured the hardsphere viscosity coefficient for 108 hard spheres at the freezing density [1]. A pe riodic system undergoing homogeneous shear was studied with molecular dynamics. Similar calculations have also been carried out using the Lennard-Jones REE-EYRING potential [2-4]. At the freezing density Naitoh and Ono use a square "N ALDER, GASS EX WAINWRIGHT root dependence of viscosity on strain rate to extra f-
منابع مشابه
Approach to the nonequilibrium time-periodic state in a steady shear flow model
The standard nonequilibrium molecular dynamics algorithm for steady shear flow (SLLOD ) employs Lees–Edwards periodic boundary conditions. It is not widely known that these boundary conditions make the system non–autonomous. The "steady state" shear stress is in fact time periodic. The standard response theory derivations for steady shear do not take proper account of these non–autonomous terms...
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0021-9991/$ see front matter 2012 Elsevier Inc http://dx.doi.org/10.1016/j.jcp.2012.04.017 ⇑ Corresponding author. Tel./fax: +86 10 6278 16 E-mail address: [email protected] (B.-Y. Ca A uniform momentum source-and-sink scheme of nonequilibrium molecular dynamics (NEMD) is developed to calculate the shear viscosity of fluids in this paper. The uniform momentum source and sink are realized by...
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