CALCULATION OF HELIUM DISSOCIATION ENERGIES FOR VANADIUM, NIOBIUM AND MOLYBDENUM BY A COMPUTER SIMULATION METHOD.

Naoto Kobayashi

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Atomistic calculations of activation energies of helium dissociation from helium-vacancy clusters in vanadium, niobium and molybdenum have been performed by a computer simulation method. In the process, formation energies of vacancy clusters, interstitial helium and helium-vacancy clusters have been also calculated as well as migration energies of vacancy and helium. Potentials of metal-metal and helium-metal for vanadium and molybdenum were after R. H. Johnson and W. D. Wilson, whereas other potentials were constructed in a similar manner. Calculated dissociation energies in vanadium and niobium are around 3. 0 ev and smaller than those in molybdenum (4. 0 ev to 5. 0 ev). Large helium dissociation energies from small clusters suggest stable agglomeration states of helium in these bcc metals.

Original languageEnglish
Pages (from-to)3018-3026
Number of pages9
JournalJournal of the Physical Society of Japan
Volume53
Issue number9
Publication statusPublished - 1984 Sep
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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