Dislocation Emission from Grain Boundaries in High-Entropy Alloys: Influence of Atomic Composition at Grain Boundaries

被引：11
作者：
Shiotani, Kohei [1 ,2 ]
Niiyama, Tomoaki [2 ]
Shimokawa, Tomotsugu [2 ]
机构：
[1] Kanazawa Univ, Div Mech Sci & Engn, Grad Sch Nat Sci & Technol, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan
[2] Kanazawa Univ, Fac Mech Engn, Inst Sci & Engn, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan
来源：
MATERIALS TRANSACTIONS | 2020年 / 61卷 / 07期
关键词：
high-entropy alloys; grain boundary; dislocation; molecular dynamics; Monte Carlo method; grain boundary segregation; POTENTIALS;
D O I：
10.2320/matertrans.Z-M2020819
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
High-entropy alloys (HEAs) are solid solutions with five or more elements in near equiatomic fractions and exhibit excellent mechanical properties. However, the mechanism has not been fully understood yet. Because general grain boundaries (GBs) contain various sizes of atomic free volumes, a deviation of atomic composition at GBs may appear in HEAs by replacing atoms with ones having different atomic sizes to reduce atomic free volumes at GBs. Various equiatomic HEAs with five elements are modeled by a modified Morse (two-body interatomic) potential. Thermal equilibrium GBs at finite temperatures are obtained by hybrid Monte Carlo-molecular dynamics simulations. As results, GBs in HEAs mainly consist of two elements with the minimum and maximum atomic size and the critical stress to emit dislocations from the GBs increases as the deviation of atomic composition becomes large.
引用
收藏
页码：1272 / 1279
页数：8
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