Atomistic simulations of dislocation pileup: Grain boundaries interaction

Wang, Jian

doi:10.1007/s11837-015-1454-0

Title: Atomistic simulations of dislocation pileup: Grain boundaries interaction

Journal Article · Wed May 27 00:00:00 EDT 2015 · JOM. Journal of the Minerals, Metals & Materials Society

DOI:https://doi.org/10.1007/s11837-015-1454-0· OSTI ID:1246365

Wang, Jian ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation of these kinetic processes with the available slip systems across the GB and atomic structures of the GB.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: LANLE8C4; ER20140450; AC52-06NA25396

OSTI ID:: 1246365

Report Number(s):: LA-UR-15-25413; PII: 1454

Journal Information:: JOM. Journal of the Minerals, Metals & Materials Society, Vol. 67, Issue 7; ISSN 1047-4838

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 43 works

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