Binary-collision contributions to atomic motions in fluids

Pathak, K. N. ; Ranganathan, S. ; Johnson, R. E. (1994) Binary-collision contributions to atomic motions in fluids Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 50 (2). pp. 1135-1143. ISSN 1539-3755

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Official URL: http://pre.aps.org/abstract/PRE/v50/i2/p1135_1

Related URL: http://dx.doi.org/10.1103/PhysRevE.50.1135

Abstract

Binary-collision contributions to the first order space-time memory function in the Mori-Zwanzig representation of a self-current autocorrelation function have been obtained. The expression for the memory function involves the static pair correlation function and the time dependence of the position and the momentum of a particle moving in a central potential. In the limit of long wavelength, the memory function reduces to that for the velocity autocorrelation function (VACF). The self-diffusion coefficient has been found to reduce to the Enskog value in the limit of a hard sphere interaction. Numerical results for the VACF, its memory function, and the self-diffusion coefficient for a Lennard-Jones fluid have been obtained for several thermodynamic states. These results are compared with available molecular dynamics data to identify the extent to which the binary-collision approximation is valid.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:55950
Deposited On:22 Aug 2011 13:05
Last Modified:22 Aug 2011 13:05

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