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Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon

Oleynik, I. I. and Zybin, S. V. and Elert, M. L. and White, C. T. (2006) Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon. In: Shock compression of condensed matter--2005 : proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter held at Baltimore, MD 31 July-5 August, 2005. AIP Conference Proceedings. No.845. American Institute of Physics , Melville, NY, pp. 413-416. ISBN 0-7354-0341-4.

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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 1.25< vp < 2.75 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 amorphization of Si. However, the [110] shock wave exhibits an anomalous materials response at intermediate piston velocities around vp ~= 1.75 km/s which is characterized by the absence of plastic deformations.

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Additional Information:© 2006 American Institute of Physics. The work at USF is supported by NSF-NIRT (ECS-0404137) and ARO-MURI (W901 1NF-05-1-0266). Funding at Caltech was provided by ONR and ARO-MURI. CTW is supported by ONR directly and through Naval Research Laboratory.
Funding AgencyGrant Number
Army Research Office (ARO)W901 1NF-05-1-0266
Office of Naval Research (ONR)UNSPECIFIED
Naval Research LaboratoryUNSPECIFIED
Subject Keywords:shock waves; molecular dynamics method; silicon; wave propagation; crystal structure
Series Name:AIP Conference Proceedings
Issue or Number:845
Record Number:CaltechAUTHORS:OLEaipcp06c
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5141
Deposited By: Archive Administrator
Deposited On:03 Oct 2006
Last Modified:02 Oct 2019 23:19

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