Orientation dependent mechanical responses and plastic deformation mechanisms of znse nano films under nanoindentation

Xu，Chao1,2,3; Liu，Futi1,2; Liu，Chunmei3; Wang，Pei4; Liu，Huaping5

2021-11-01

10.3390/nano11113014

Nanomaterials   影响因子和分区

2079-4991

Although ZnSe has been widely studied due to its attractive electronic and optoelectronic properties, limited data on its plastic deformations are available. Through molecular dynamics simulations, we have investigated the indentations on the (001), (110), and (111) planes of ZnSe nano films. Our results indicate that the elastic modulus, incipient plasticity, elastic recovery ra-tio, and the structural evolutions during the indenting process of ZnSe nano films show obvious anisotropy. To analyze the correlation of structural evolution and mechanical responses, the atomic displacement vectors, atomic arrangements, and the dislocations of the indented samples are ana-lyzed. Our simulations revealed that the plastic deformations of the indented ZnSe nano films are dominated by the nucleation and propagation of 1/2<110> type dislocations, and the symmetri-cally distributed prismatic loops emitted during the indenting process are closely related with the mechanical properties. By studying the evolutions of microstructures, the formation process of the dislocations, as well as the formation mechanisms of the emitted prismatic loops under the indented crystalline planes are discussed. The results presented in this work not only provide an answer for the questions about indentation responses of ZnSe nano films, but also offer insight into its plastic deformation mechanisms.

Indentation Molecular dynamics Plastic deformation ZnSe nano film

SCI

英语

其他

Open Research Fund of Computational Physics Key Laboratory of Sichuan province, Yibin University[ybxyjswl-zd-2020-004] ; National Natural Science Foundation of China[51502217,11504280]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied

WOS:000724832300001

MDPI

2-s2.0-85118741063

Scopus

1.Faculty of Science,Yibin University,Yibin,644007,China
2.Key Laboratory of Computational Physics,Yibin University,Yibin,644007,China
3.College of Science,Wuhan University of Science and Technology,Wuhan,430081,China
4.Academy for Advanced Interdisciplinary Studies,Department of Physics,Southern University of Science and Technology (SUSTech),Shenzhen,518055,China
5.School of Aerospace Engineering,Huazhong University of Science and Technology,Wuhan,430074,China

Xu，Chao,Liu，Futi,Liu，Chunmei,et al. Orientation dependent mechanical responses and plastic deformation mechanisms of znse nano films under nanoindentation[J]. Nanomaterials,2021,11(11).

Xu，Chao,Liu，Futi,Liu，Chunmei,Wang，Pei,&Liu，Huaping.(2021).Orientation dependent mechanical responses and plastic deformation mechanisms of znse nano films under nanoindentation.Nanomaterials,11(11).

Xu，Chao,et al."Orientation dependent mechanical responses and plastic deformation mechanisms of znse nano films under nanoindentation".Nanomaterials 11.11(2021).