Influence of strain on transport in dense Lennard-Jones systems

Janka Petravic

doi:10.1063/1.1683073

Influence of strain on transport in dense Lennard-Jones systems

Janka Petravic^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.

Original language	English
Pages (from-to)	7041-7049
Number of pages	9
Journal	Journal of Chemical Physics
Volume	120
Issue number	15
DOIs	https://doi.org/10.1063/1.1683073
Publication status	Published - 15 Apr 2004

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AB - The shear stress relaxation and temperature dependence of the diffusion coefficient, viscosity and thermal conductivity in dense Lennard-Jones (LJ) systems were studied. The structural, thermodynamic and transport properties of the liquid and solid branches of the system of N=500 LJ along a high-density isochore in a systematic manner were calculated. It was shown that in the equilibrium system the diffusion coefficient decreases linearly with a decrease in temperature. It was found that at the melting temperature there is a sudden drop in diffusion due to crystallization caused by periodic boundary conditions and small system size.

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Influence of strain on transport in dense Lennard-Jones systems

Abstract

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