Atomistic study of grain boundary sink strength under prolonged electron irradiation

Yongfeng Zhang, Hanchen Huang, Paul C. Millett, Michael Tonks, Dieter Wolf, Simon R. Phillpot

Research output: Contribution to journalArticlepeer-review

38 Scopus citations


Grain boundaries (GBs) can act as either sinks or sources of the point defects that are produced in large numbers under irradiation damage. In polycrystalline materials, as the grain size decreases, more of the point defects resulting from irradiation damage annihilate at GBs. It is unknown, however, whether the GB sink efficiency will saturate after prolonged defect annihilation, particularly when the grain size is of nanoscale dimensions. Using a combination of molecular dynamics (MD) simulation and rate theory, the authors show that high-energy GBs in body-centered-cubic (BCC) Mo do not saturate as sinks of point defects. The MD simulations serve to provide direct measurement of defect evolution, and the rate theory serves both to test whether grain boundary sink strength is constant during prolonged defect annihilation, and to extend the MD results to realistic defect production rates.

Original languageEnglish (US)
Pages (from-to)69-76
Number of pages8
JournalJournal of Nuclear Materials
Issue number1-3
StatePublished - Mar 2012

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering


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