Interatomic potential for vanadium suitable for radiation damage simulations

Seungwu Han, Luis A. Zepeda-Ruiz, Graeme J. Ackland, Roberto Car, David J. Srolovitz

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

A procedure adopted to fit an interatomic potential for vanadium, which is suitable for radiation damage simulations was presented. The results of the systematic first-principles calculations of point defects in vanadium were reported. It was found through the simulations that it reproduces both perfect crystal properties and point defect formation energies.

Original languageEnglish (US)
Pages (from-to)3328-3335
Number of pages8
JournalJournal of Applied Physics
Volume93
Issue number6
DOIs
StatePublished - Mar 15 2003

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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