Pair potential for Fe-He

被引：87

作者：

Juslin, N. ^{[1
]}

Nordlund, K. ^{[1
]}

机构：

[1] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland

来源：

JOURNAL OF NUCLEAR MATERIALS | 2008年 / 382卷 / 2-3期

基金：

欧盟地平线“2020”; 芬兰科学院;

关键词：

D O I：

10.1016/j.jnucmat.2008.08.029

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A new potential for helium in bulk iron was developed in order to study the effect of He in irradiated iron. As helium in iron degrades the material properties, a good description of He defects is of importance for studying radiation damage with He present in iron. We show that a purely repulsive pair potential is enough to reproduce electronic structure calculations results from the literature for He defect formation and migration. Ab initio data for short range Fe-He dimer interaction is used to describe the high energy part of the potential. (C) 2008 Elsevier B.V. All rights reserved.

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页码：143 / 146

页数：4

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