Multi-scale modeling of interstitial dislocation loop growth in irradiated materials

Bei Ye, Di Yun, Zeke Insepov, Jeffrey Rest

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

1 Citation (Scopus)


In order to reduce the inherent uncertainty in kinetic theory models and promote their transition to become predictive methodologies, a multi-scale modeling approach is proposed and demonstrated in this work. KiValues of key materials properties such as point defect (vacancy and interstitial) migration enthalpies, as well as kinetic factors, such as dimer formation and defect recombination coefficients and self-interstitial atom - interstitial loop reaction rates, were obtained by ab initio/molecular dynamics calculations. A rate theory model was used to interpret the evolution of dislocation loops in irradiated molybdenum. Calculations of the dose dependence of average loop diameter were performed and compared to experimental measurements obtained from irradiations with high-energy electrons. The comparison demonstrates reasonable agreement between model-predicted and experiment-measured data.

Original languageEnglish
Title of host publicationActinides and Nuclear Energy Materials
Number of pages6
Publication statusPublished - Dec 1 2012
Externally publishedYes
Event2012 MRS Spring Meeting - San Francisco, CA, United States
Duration: Apr 9 2012Apr 13 2012

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2012 MRS Spring Meeting
Country/TerritoryUnited States
CitySan Francisco, CA

ASJC Scopus subject areas

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


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