Interatomic potential for vanadium suitable for radiation damage simulations

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

doi:10.1063/1.1555275

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 journal › Article › peer-review

81 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 language	English (US)
Pages (from-to)	3328-3335
Number of pages	8
Journal	Journal of Applied Physics
Volume	93
Issue number	6
DOIs	https://doi.org/10.1063/1.1555275
State	Published - Mar 15 2003

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1063/1.1555275

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title = "Interatomic potential for vanadium suitable for radiation damage simulations",

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.",

author = "Seungwu Han and Zepeda-Ruiz, \{Luis A.\} and Ackland, \{Graeme J.\} and Roberto Car and Srolovitz, \{David J.\}",

year = "2003",

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doi = "10.1063/1.1555275",

language = "English (US)",

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journal = "Journal of Applied Physics",

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T1 - Interatomic potential for vanadium suitable for radiation damage simulations

AU - Han, Seungwu

AU - Zepeda-Ruiz, Luis A.

AU - Ackland, Graeme J.

AU - Car, Roberto

AU - Srolovitz, David J.

PY - 2003/3/15

Y1 - 2003/3/15

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0037444983

UR - https://www.scopus.com/pages/publications/0037444983#tab=citedBy

U2 - 10.1063/1.1555275

DO - 10.1063/1.1555275

M3 - Article

AN - SCOPUS:0037444983

SN - 0021-8979

VL - 93

SP - 3328

EP - 3335

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 6

ER -

Interatomic potential for vanadium suitable for radiation damage simulations

Abstract

All Science Journal Classification (ASJC) codes

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