Threshold Displacement and Interstitial-Atom Formation Energies in Ni3Al

A. Caro, M. Victoria, R. S. Averback

Research output: Contribution to journalArticlepeer-review


Threshold displacement energies for atomic displacements along 〈110〉, 〈100〉, and〈111〉 directions, and formation enthalpies of several symmetric interstitial atom configurations were calculated for Ni3Al by computer simulation using 'embedded atom method' potentials. The Ni-Ni (100) dumbbell in the plane containing only Ni atoms has the lowest interstitial-atom enthalpy although the enthalpies of other configurations are similar. Interstitial configurations involving Al atoms all have much higher enthalpies. The anisotropy of the threshold energies in Ni3Al is similar to pure metals and no significant difference in threshold energy was observed for 〈110〉 replacement chains in rows containing all Ni atoms or alternating Ni-Al atoms. Various metastable interstitial atom configurations were observed, including crowd-ions. In addition, the spontaneous recombination volume for some configurations can be much smaller than in pure metals. The consequences of these results for radiation induced segregation and amorphization are discussed.

Original languageEnglish (US)
Pages (from-to)1409-1413
Number of pages5
JournalJournal of Materials Research
Issue number7
StatePublished - Jul 1990

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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