Non-linear responses of the hard-spheroid fluid under shear flow

Xue-Feng Yuan, and Michael P. Allen

Physica A: Statistical Mechanics and its Applications, 1997, vol. 240, issue 1, 145-159

Abstract: We examine a simple non-equilibrium molecular dynamics (NEMD) technique for studying hard-spheroid fluids under shear flow. The method involves applying a thermostat which uses an analytical formula for the streaming angular velocity as a function of molecular orientation. Preliminary results indicate that this method is a significant improvement over the usual assumption of constant streaming angular velocity. We compare with the more sophisticated, and complicated, rotationally unbiased thermostat proposed by Travis et al.

Keywords: Non-equilibrium molecular dynamics; Molecular dynamics; Jeffery orbit; Hard spheroids; Hard ellipsoids; Lees-Edwards boundary condition; Rheology (search for similar items in EconPapers)
Date: 1997
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:240:y:1997:i:1:p:145-159

DOI: 10.1016/S0378-4371(97)00137-4

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