Pressure and energy behavior of the Gaussian core model fluid under shear

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Title: Pressure and energy behavior of the Gaussian core model fluid under shear
Author(s): Ahmed, Alauddin; Mausbach, Peter; Sadus, Richard J.
Abstract: The pressure and energy behavior of the Gaussian core model (GCM) fluid as a function of strain-rate are obtained from nonequilibrium molecular dynamics simulations for a wide range of thermodynamic state points. An analytical dependence of pressure on strain-rate is observed which is in agreement with a Taylor series expansion of pressure in terms of the strain-rate tensor. In contrast, the energy as a function of strain rate is found to be dependent on temperature and density. The different behavior of pressure and energy contradicts mode-coupling theory, which requires the same variation of pressure and energy with respect to the strain-rate. The results for the GCM fluid do not support the hypothesis that the strain-rate exponent for both pressure and energy can be universally represented by a simple linear function of temperature and density.
Publication type: Journal article
Research centre: Swinburne University of Technology. Faculty of Information and Communication Technologies. Centre for Molecular Simulation
Source: Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, Vol. 82, no. 1 (Jul 2010), paper no. 011201
Publication year: 2010
FOR Code(s): 01 Mathematical Sciences; 02 Physical Sciences; 09 Engineering
Keyword(s): Energy behaviour; Gaussian core model fluid; Pressure behaviour; Strain rate
Publisher: American Physical Society
ISSN: 1539-3755
Publisher URL: http://dx.doi.org/10.1103/PhysRevE.82.011201
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