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FeAl合金Finnis-Sinclair多体势的构建及应用 被引量：1

Construction and Application of Finnis-Sinclair Many-body Potential for FeAl Alloy
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摘要 构建了平衡态下的B2型二元合金FeAl的多体势函数,采用的是Finnis-Sinclair多体势模型,计算了FeAl合金的结合能,空位形成能及弹性常数C11、C12、C44,计算结果与实验结果符合得很好.在此基础上又研究了B2型FeAl合金的单空位及反位置点缺陷的性质. The Finnis-Sinclair many-body potential model was adopted to construct the interatomic potential function for B2 structure binary alloy FeAl in equilibrium. The cohesive energy, the vacancy formation energy, the elastic constants C11, C12 and C44 were calculated, and the results agree with the experiments well. The properties of point defects, such as monovacancies and anti-site of the B2 Type FeAl alloy were also studied.
作者 王月华 刘艳侠 郑君刚 马振宁
机构地区 沈阳建筑大学理学院 辽宁大学物理系
出处 《沈阳师范大学学报（自然科学版）》 CAS 2008年第3期290-293,共4页 Journal of Shenyang Normal University:Natural Science Edition
基金 辽宁省高等学校科学研究项目(2004F003)
关键词 F-S多体势 FEAL合金 点缺陷 F-S many-body potential FeAl alloy point defect
分类号 TG111.2 [金属学及工艺—物理冶金] TG146.21 [金属学及工艺—金属材料]
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参考文献10

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二级参考文献9

共引文献5

同被引文献24

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引证文献1

二级引证文献8

沈阳师范大学学报（自然科学版）
2008年 第3期

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