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Shear Stresses in Shock-Compressed Covalent Solids

Oleynik, I. I. and Zybin, S. V. and Elert, M. L. and White, C. T. (2006) Shear Stresses in Shock-Compressed Covalent Solids. 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. 417-420. ISBN 0-7354-0341-4.

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Shear stresses are the driving forces for the creation of both point and extended defects in crystals subjected to high pressures and temperatures. Recently, we observed anomalous elastic materials response in shock-compressed silicon and diamond in the course of our MD simulations and were able to relate this phenomenon to non-monotonic dependence of shear stress on uniaxial compression of the material. Here we report results of combined density functional theory (DFT) and classical interatomic potentials studies of shear stresses in shock compressed covalent solids such as diamond and silicon for three low-index crystallographic directions, <100>, <110>, <111>. We observed a non-monotonic dependence of DFT shear stresses for all three crystallographic directions which indicates that anomalous elastic response of shock compressed material is a real phenomenon and not an artifact of interatomic potentials used in MD simulations.

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Additional Information:© 2006 American Institute of Physics. IIO 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 wave effects; stress effects; high-pressure effects; silicon; diamond; crystal defects; molecular dynamics method; density functional theory
Series Name:AIP Conference Proceedings
Issue or Number:845
Record Number:CaltechAUTHORS:OLEaipcp06b
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5140
Deposited By: Archive Administrator
Deposited On:03 Oct 2006
Last Modified:02 Oct 2019 23:19

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