Molecular dynamics study of the threshold displacement energy in vanadium

L. A. Zepeda-Ruiz; S. Han; D. J. Srolovitz; R. Car; B. D. Wirth

doi:10.1103/PhysRevB.67.134114

Molecular dynamics study of the threshold displacement energy in vanadium

L. A. Zepeda-Ruiz
, S. Han
, D. J. Srolovitz
, R. Car
, B. D. Wirth

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

35 Citations (Scopus)

Abstract

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.

Original language	English
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	67
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevB.67.134114
Publication status	Published - 1 Apr 2003
Externally published	Yes

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title = "Molecular dynamics study of the threshold displacement energy in vanadium",

abstract = "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. ",

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AU - Zepeda-Ruiz, L. A.

AU - Han, S.

AU - Srolovitz, D. J.

AU - Car, R.

AU - Wirth, B. D.

PY - 2003/4/1

Y1 - 2003/4/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0038101566

UR - https://www.scopus.com/pages/publications/0038101566#tab=impact

U2 - 10.1103/PhysRevB.67.134114

DO - 10.1103/PhysRevB.67.134114

M3 - RGC 21 - Publication in refereed journal

SN - 1098-0121

VL - 67

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 13

ER -

Molecular dynamics study of the threshold displacement energy in vanadium

Abstract

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Erratum: Molecular dynamics study of the threshold displacement energy in vanadium (Physical Review B - Condensed Matter and Materials Physics (2003) 67 (134114))

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