Molecular dynamics simulations of the initial stages of spall in nanocrystalline copper

Vladimir Dremov, Alexander Petrovtsev, Philipp Sapozhnikov, Maria Smirnova, Dean L. Preston, and Marvin A. Zocher
Phys. Rev. B 74, 144110 – Published 30 October 2006

Abstract

Molecular dynamics simulations of the initial stages of the spall process in single nanocrystals and polynanocrystals of copper are performed. The simulations show that void nucleation in copper polynanocrystals occurs predominantly along the grain boundaries, whereas voids are formed at stacking fault intersections in copper monocrystals. The calculated spall strengths of single-crystal copper at strain rates of 24×109s1 are consistent with existing experimental data, and the polynanocrystal spall strength is found to increase rapidly at rates around 109s1 up to the theoretical ultimate spall strength of 22.5GPa at about 3×109s1.

    • Received 23 January 2006

    DOI:https://doi.org/10.1103/PhysRevB.74.144110

    ©2006 American Physical Society

    Authors & Affiliations

    Vladimir Dremov, Alexander Petrovtsev, Philipp Sapozhnikov, and Maria Smirnova

    • Russian Federal Nuclear Center, Institute of Technical Physics, Snezhinsk, 456770 Chelyabinsk reg., Russia

    Dean L. Preston* and Marvin A. Zocher

    • Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

    • *Electronic address: dean@lanl.gov

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    Issue

    Vol. 74, Iss. 14 — 1 October 2006

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