Phys. Rev. B 67, 134114 (2003) [5 pages]Molecular dynamics study of the threshold displacement energy in vanadiumSee Also: Erratum Received 27 September 2002; revised 27 January 2003; published 28 April 2003 The threshold displacement energy (TDE) is calculated for vanadium as a function of temperature and orientation by molecular dynamics simulations. The TDE varies from 13 to 51 eV, depending on orientation and is nearly temperature independent between 100 and 900 K. The lowest TDE is in the 〈100〉 direction. We characterize the defects associated with the displacement simulations and found that they consist of vacancies and 〈111〉-split dumbbells. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.67.134114
DOI:
10.1103/PhysRevB.67.134114
PACS:
61.80.Az, 61.72.Ji, 61.82.Bg
See AlsoErratum: L. A. Zepeda-Ruiz, S. Han, D. J. Srolovitz, R. Car, and B. D. Wirth, Erratum: Molecular dynamics study of the threshold displacement energy in vanadium [Phys. Rev. B 67, 134114 (2003)], Phys. Rev. B 70, 109901 (2004). |
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