Computer simulation of atomic properties and dynamic behavior of interstitial clusters in Ni

E. Kuramoto, Kazuhito Ohsawa, T. Tsutsumi

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

The atomic structure and dynamic behavior of interstitial clusters, i.e., a bundle of 〈110〉 crowdions, have been investigated in a model Ni lattice. An extended dislocation loop was obtained after full relaxation of a loop of hexagonal shape, consisting of four dislocation segments lying on {111} slip planes and two dislocation segments on {100} slip planes. The dislocation segments on {111} slip planes are extended, but the segments on {100} slip planes are not extended. By observing the motion of a dislocation loop under axially symmetrical shear stress, the Peierls stress for the dislocation loop was obtained. Also, a diamond-shaped dislocation loop was constructed in the model lattice, consisting of four dislocation segments on {111} slip planes and no segments on {100} slip planes. The Peierls stress for this diamond-shaped dislocation loop was found to be less than that for the hexagonal-shaped dislocation loop.

Original languageEnglish
Pages (from-to)89-95
Number of pages7
JournalJournal of Computer-Aided Materials Design
Volume7
Issue number2
DOIs
Publication statusPublished - Dec 1 2000

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Computer Science Applications
  • Computational Theory and Mathematics

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