Strain-induced transformation between vacancy voids and stacking fault tetrahedra in Cu

Xv, Hongbo1; Zhao, Jie1; Ye, Fei1,2; Tong, Ke1

2019-02-15

10.1016/j.commatsci.2018.11.026

COMPUTATIONAL MATERIALS SCIENCE   影响因子和分区

0927-0256

1879-0801

The transformation between voids and stacking fault tetrahedra (SFTs) under volumetric strain has been systematically investigated by atomistic computer simulation. It has been found out that equiaxial voids or SFTs have high stability under tensile or compressive strain. Molecular dynamic simulations show that the SFTs can transform to voids even at extremely low temperature under constant tensile strain. On the contrary, the equiaxial voids can transform to SFTs under constant compressive strain. The voids and SFTs can also transform to each other under cycling strain. During the transformation from SFTs to voids, four atoms at the vertex of SFT move outward first. Then, the {1 1 1} plane atoms move by layers toward one of the vertices. Finally, the opposing {1 1 1} plane atoms move toward the opposite direction, thereby forming planar voids. The planar voids transform to SFT through the opposite process. This strain-induced transformation is remarkably affected by temperature and strain rate. High temperature can advance the strain of the transformation, while the strain rate exerts opposite effects.

Molecular dynamics Atomistic simulation Vacancy cluster Stacking fault tetrahedra Volumetric strain

SCI ; EI

英语

通讯

National Natural Science Foundation of China[51771042] ; National Natural Science Foundation of China[U1610256]

Materials Science

Materials Science, Multidisciplinary

WOS:000456022400043

ELSEVIER SCIENCE BV

20184906206541

Atoms ; Geometry ; Molecular dynamics ; Stacking faults ; Temperature ; Tensile strain

Thermodynamics:641.1 ; Physical Chemistry:801.4 ; Mathematics:921 ; Mechanics:931.1 ; Atomic and Molecular Physics:931.3 ; Crystal Lattice:933.1.1

MATERIALS SCIENCE

Web of Science

1.Dalian Univ Technol, Sch Mat Sci & Engn, 2 Linggong Rd, Dalian 116024, Liaoning, Peoples R China
2.Southern Univ Sci & Technol, Dept Mat Sci & Engn, 1088 Xueyuan Rd, Shenzhen 518055, Guangdong, Peoples R China

Xv, Hongbo,Zhao, Jie,Ye, Fei,et al. Strain-induced transformation between vacancy voids and stacking fault tetrahedra in Cu[J]. COMPUTATIONAL MATERIALS SCIENCE,2019,158:359-368.

Xv, Hongbo,Zhao, Jie,Ye, Fei,&Tong, Ke.(2019).Strain-induced transformation between vacancy voids and stacking fault tetrahedra in Cu.COMPUTATIONAL MATERIALS SCIENCE,158,359-368.

Xv, Hongbo,et al."Strain-induced transformation between vacancy voids and stacking fault tetrahedra in Cu".COMPUTATIONAL MATERIALS SCIENCE 158(2019):359-368.