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Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon

I. I. Oleynik·S. V. Zybin·M. L. Elert·C. T. White
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Abstract

We report results of molecular dynamics simulation of shock wave propagation in silicon in [100], [110], and [111] directions obtained using a classical environment-dependent interatomic potential (EDIP). Several regimes of materials response are classified as a function of shock wave intensity using the calculated shock Hugoniot. Shock wave structure in [100] and [111] directions exhibit usual evolution as a function of piston velocity. At piston velocities km/s the shock wave consists of a fast elastic precursor followed by a slower plastic front. At larger piston velocities the single overdriven plastic wave propagates through the crystal causing amorphitization of Si. However, the [110] shock wave exhibits an anomalous materials response at intermediate piston velocities around km/s which is characterized by the absence of plastic deformations.

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I. I. Oleynik, S. V. Zybin, M. L. Elert, C. T. White. 2005-11-02. Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon. https://doi.org/10.1063/1.2263349

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