Atomistic Determination of Cross-Slip Pathway and Energetics

Publication: Research - peer-reviewJournal article – Annual report year: 1997

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The mechanism for cross slip of a screw dislocation in Cu is determined by atomistic simulations that only presume the initial and final states of the process. The dissociated dislocation constricts in the primary plane and redissociates into the cross-slip plane while still partly in the primary plane. The transition state and activation energy for cross slip as well as the energies of the involved dislocation constrictions are determined. One constriction has a negative energy compared to parallel partials. The energy vs splitting width for recombination of parallel partials into a perfect dislocation is determined. The breakdown of linear elasticity theory for small splitting widths is studied. [S0031-9007(97)04444-X].
Original languageEnglish
JournalPhysical Review Letters
Publication date1997
Volume79
Issue19
Pages3676-2679
ISSN0031-9007
DOIs
StatePublished

Bibliographical note

Copyright (1997) by the American Physical Society.

CitationsWeb of Science® Times Cited: 67

Keywords

  • FCC CRYSTALS
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