Title of article
A new Fe–He pair potential
Author/Authors
Gao، نويسنده , , N. and Samaras، نويسنده , , M. and Van Swygenhoven، نويسنده , , H.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
5
From page
240
To page
244
Abstract
A pair potential for the Fe–He system has been developed based on recent magnetic potentials of Fe and ab initio data. The new potentials can reproduce simple He defects, the migration energy of the tetrahedral He interstitial and various He cluster properties in single crystal system of bcc iron with He atoms. The potentials are used to study the He energetics of single and bi-interstitial clusters in a Σ3(1 1 2) boundary plane using a bi-crystal simulation geometry.
Journal title
Journal of Nuclear Materials
Serial Year
2010
Journal title
Journal of Nuclear Materials
Record number
1364385
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