Kinetic theory of transport in a hard sphere crystal

Kirkpatrick, T. R. ; Das, Shankar P. ; Ernst, M. H. ; Piasecki, J. (1990) Kinetic theory of transport in a hard sphere crystal Journal of Chemical Physics, 92 (6). pp. 3768-3780. ISSN 0021-9606

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The revised Enskog kinetic theory (RET) is used to describe transport in a hard sphere crystal. The connection between the RET and the exact density functional theory (DFT) description of the solid state is established. The RET is used to derive the dissipative linear equations of elasticity. The elastic moduli in these equations are identical to those obtained from equilibrium like DFT. The expressions for the solid state transport coefficients (determining sound absorption and heat conduction in the hard sphere crystal) are new. As for the analogous calculation in the liquid state, the transport coefficients are determined by the (solid state) equilibrium two-particle distribution function at contact.

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