Atomistic simulation of clustering and annihilation of point defects in molybdenum

Alexey Yanilkin, Zeke Insepov, Genri Norman, Jeff Rest, Vladimir Stegailov

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

Abstract

Evolution of a molybdenum system containing self-interstitials and vacancies was studied by molecular dynamics simulation using a new molybdenum interatomic potential. The potential was parameterized by using formation and migration energies of the defects. Clustering and annihilation of the defects were investigated in terms of the defect concentration changes during the calculation. The rate constants were evaluated and compared with the diffusion coefficients. Also investigated was the influence of one-dimensional diffusion on kinetics, as well as the effects of temperature and defect concentrations on the reaction rates.

Original languageEnglish
Title of host publicationDiffusion in Materials - DIMAT 2011
PublisherTrans Tech Publications
Pages95-100
Number of pages6
Volume323-325
ISBN (Print)9783037853979
DOIs
Publication statusPublished - Jan 1 2012
Event8th International Conference on Diffusion in Materials, DIMAT 2011 - Dijon, France
Duration: Jul 3 2011Jul 8 2011

Other

Other8th International Conference on Diffusion in Materials, DIMAT 2011
CountryFrance
CityDijon
Period7/3/117/8/11

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Keywords

  • 1D diffusion
  • Cluster
  • Interstitial
  • Recombination
  • Vacancy

ASJC Scopus subject areas

  • Radiation
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Yanilkin, A., Insepov, Z., Norman, G., Rest, J., & Stegailov, V. (2012). Atomistic simulation of clustering and annihilation of point defects in molybdenum. In Diffusion in Materials - DIMAT 2011 (Vol. 323-325, pp. 95-100). Trans Tech Publications. https://doi.org/10.4028/www.scientific.net/DDF.323-325.95