Simulation of vacancy migration energy in Cu under high strain

K. Sato, T. Yoshiie, Y. Satoh, Q. Xu, M. Kiritani

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)

Abstract

The activation energy for the migration of vacancies in Cu under high strain was calculated by computer simulation using static methods. The migration energy of vacancies was 0.98 eV in the absence of deformation. It varied with the migration direction and stress direction because the distance between a vacancy and its neighboring atoms changes by deformation. For example, the migration energy for the shortest migration distance was reduced to 9.6 and 39.4% of its initial value by 10% compression and 20% elongation, respectively, while that for the longest migration distance was raised to 171.7 by 20% elongation. If many vacancies are created during high-speed deformation, the lowering of migration energy enables vacancies to escape to sinks such as surfaces, even during the shorter deformation period. The critical strain rate above which the strain rate dependence of vacancy accumulation ceases to exist increases with the lowering of vacancy migration energy.

Original languageEnglish
Pages (from-to)220-222
Number of pages3
JournalMaterials Science and Engineering A
Volume350
Issue number1-2
DOIs
Publication statusPublished - 2003 Jun 15

Keywords

  • Cu
  • Finnis-Sinclare potential
  • High strain state
  • Migration energy
  • Newton-Raphson method
  • Vacancy

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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