Dislocation dynamics in hexagonal close-packed crystals

Aubry, S.; Rhee, M.; Hommes, G.; Bulatov, V. V.; Arsenlis, A.

doi:10.1016/j.jmps.2016.04.019

Title: Dislocation dynamics in hexagonal close-packed crystals

Journal Article · Thu Apr 14 00:00:00 EDT 2016 · Journal of the Mechanics and Physics of Solids

DOI:https://doi.org/10.1016/j.jmps.2016.04.019· OSTI ID:1260494

Aubry, S. ^[1]; Rhee, M. ^[1]; Hommes, G. ^[1]; Bulatov, V. V. ^[1]; Arsenlis, A. ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Extensions of the dislocation dynamics methodology necessary to enable accurate simulations of crystal plasticity in hexagonal close-packed (HCP) metals are presented. They concern the introduction of dislocation motion in HCP crystals through linear and non-linear mobility laws, as well as the treatment of composite dislocation physics. Formation, stability and dissociation of and other dislocations with large Burgers vectors defined as composite dislocations are examined and a new topological operation is proposed to enable their dissociation. Furthermore, the results of our simulations suggest that composite dislocations are omnipresent and may play important roles both in specific dislocation mechanisms and in bulk crystal plasticity in HCP materials. While fully microscopic, our bulk DD simulations provide wealth of data that can be used to develop and parameterize constitutive models of crystal plasticity at the mesoscale.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1260494

Alternate ID(s):: OSTI ID: 1432111

Report Number(s):: LLNL-JRNL-677191

Journal Information:: Journal of the Mechanics and Physics of Solids, Vol. 94, Issue C; ISSN 0022-5096

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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