Point defect properties of ternary fcc Fe-Cr-Ni alloys

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• 作者：J.S. Wró ; bel^a ; ^{jan.wrobel@inmat.pw.edu.pl} ; D. Nguyen-Manh^b ; S.L. Dudarev^b ; K.J. Kurzydłowski^a
• 关键词：Density functional theory ; Fe-Cr-Ni alloys ; Point defects ; Short-range order
• 刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：393
• 期：Complete
• 页码：126-129
• 全文大小：959 K
• 卷排序：393

文摘

Properties of point defects depend on the local atomic environment. As the degree of chemical order increases, the formation energies increase, too. Relaxation volumes are larger for the more ordered structures.