Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

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 re...

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Autores principales:	Chao Xu, Futi Liu, Chunmei Liu, Pei Wang, Huaping Liu
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	indentation plastic deformation ZnSe nano film molecular dynamics Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/2d3aa42899ad4e7dac4f384b350dc09f
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spelling	oai:doaj.org-article:2d3aa42899ad4e7dac4f384b350dc09f2021-11-25T18:31:43ZOrientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation10.3390/nano111130142079-4991https://doaj.org/article/2d3aa42899ad4e7dac4f384b350dc09f2021-11-01T00:00:00Zhttps://www.mdpi.com/2079-4991/11/11/3014https://doaj.org/toc/2079-4991Although 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 ratio, 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 analyzed. 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 symmetrically 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.Chao XuFuti LiuChunmei LiuPei WangHuaping LiuMDPI AGarticleindentationplastic deformationZnSe nano filmmolecular dynamicsChemistryQD1-999ENNanomaterials, Vol 11, Iss 3014, p 3014 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	indentation plastic deformation ZnSe nano film molecular dynamics Chemistry QD1-999
spellingShingle	indentation plastic deformation ZnSe nano film molecular dynamics Chemistry QD1-999 Chao Xu Futi Liu Chunmei Liu Pei Wang Huaping Liu Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
description	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 ratio, 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 analyzed. 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 symmetrically 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.
format	article
author	Chao Xu Futi Liu Chunmei Liu Pei Wang Huaping Liu
author_facet	Chao Xu Futi Liu Chunmei Liu Pei Wang Huaping Liu
author_sort	Chao Xu
title	Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
title_short	Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
title_full	Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
title_fullStr	Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
title_full_unstemmed	Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation
title_sort	orientation dependent mechanical responses and plastic deformation mechanisms of znse nano films under nanoindentation
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/2d3aa42899ad4e7dac4f384b350dc09f
work_keys_str_mv	AT chaoxu orientationdependentmechanicalresponsesandplasticdeformationmechanismsofznsenanofilmsundernanoindentation AT futiliu orientationdependentmechanicalresponsesandplasticdeformationmechanismsofznsenanofilmsundernanoindentation AT chunmeiliu orientationdependentmechanicalresponsesandplasticdeformationmechanismsofznsenanofilmsundernanoindentation AT peiwang orientationdependentmechanicalresponsesandplasticdeformationmechanismsofznsenanofilmsundernanoindentation AT huapingliu orientationdependentmechanicalresponsesandplasticdeformationmechanismsofznsenanofilmsundernanoindentation
_version_	1718411005187325952

Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

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