Molecular dynamics of shock fronts and their transitions in Lennard-Jonesium and Tin

2006/07/13 by J. M. D. Lane, Lane, J. M. D., M. P. Marder +1
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0607335

15 pages, 21 figures

arxiv created 2006/07/13 · arxiv updated 2009/12/01

Abstract

We develop a Continuous Hugoniot Method for the efficient simulation of shock wave fronts with molecular dynamics. This approach achieves a significantly improved efficiency in the generation of a dense sampling of steady-state shock front states, and allows for the study of shocks as a function of a continuous shock strength parameter, v_p. This is, to our knowledge, the first attempt to map out the Hugoniot in a continuous fashion. We first apply this method to shocks in single-crystal Lennard-Jonesium along the <100> direction. Excellent agreement is found with both the published Lennard-Jones Hugoniot and results of conventional simulation methods. We next present a continuous numerical Hugoniot for shocks in tin which agrees to within 6% with experimental data. We study the strong shock to elastic-plastic shock transition in tin and find that it is a continuous transition consistent with a transcritical bifurcation.

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