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- Pressure and energy behavior of the Gaussian core model fluid under shear
- Ahmed, Alauddin; Mausbach, Peter; Sadus, Richard J.
- 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
- Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, Vol. 82, no. 1 (Jul 2010), paper no. 011201
- Publication year
- FOR Code(s)
- 01 Mathematical Sciences; 02 Physical Sciences; 09 Engineering
- Energy behaviour; Gaussian core model fluid; Pressure behaviour; Strain rate
- American Physical Society
- Publisher URL
- Copyright © 2010 American Physical Society. Published version of the paper reproduced here for noncommercial use only with the kind permission of the publisher.
- Full text
- Peer reviewed