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 language | English |
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Title of host publication | Diffusion in Materials - DIMAT 2011 |
Publisher | Trans Tech Publications |
Pages | 95-100 |
Number of pages | 6 |
Volume | 323-325 |
ISBN (Print) | 9783037853979 |
DOIs | |
Publication status | Published - Jan 1 2012 |
Externally published | Yes |
Event | 8th International Conference on Diffusion in Materials, DIMAT 2011 - Dijon, France Duration: Jul 3 2011 → Jul 8 2011 |
Other
Other | 8th International Conference on Diffusion in Materials, DIMAT 2011 |
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Country | France |
City | Dijon |
Period | 7/3/11 → 7/8/11 |
Keywords
- 1D diffusion
- Cluster
- Interstitial
- Recombination
- Vacancy
ASJC Scopus subject areas
- Radiation
- Materials Science(all)
- Condensed Matter Physics