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Published on: September 28, 2016
Large-scale molecular dynamics simulations of dislocation intersection in copper
1S. J. Zhou and D. L. Preston, Applied Theoretical and Computational Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. P. S. Lomdahl and D. M. Beazley, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM.
Abstract:
The results of massively parallel three-dimensional molecular dynamics simulations of the perpendicular intersection of extended dislocations in copper are reported. The intersection process, which involves three of the four possible 111 glide planes in the face-centered cubic lattice, begins with junction formation, followed by unzipping, partial dislocation bowing, cutting, and, finally, unit jog formation. The investigation provides insights into this complex atomistic process, which is currently not accessible to experimental investigation.
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