Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31

Abstract To develop and design mg-based nanoalloys with excellent properties, it is necessary to explore the forming process. In this paper, to explore the effect of different loading directions on the phase transformation of magnesium alloy, the model of AZ31 magnesium alloy was established, the pr...

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Autores principales:	Qianhua Yang, Chun Xue, Zhibing Chu, Yugui Li, Lifeng Ma, Hong Gao
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/4fcd80527a624df091d19254c228af9e
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spelling	oai:doaj.org-article:4fcd80527a624df091d19254c228af9e2021-12-02T15:09:06ZMolecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ3110.1038/s41598-021-96469-32045-2322https://doaj.org/article/4fcd80527a624df091d19254c228af9e2021-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-96469-3https://doaj.org/toc/2045-2322Abstract To develop and design mg-based nanoalloys with excellent properties, it is necessary to explore the forming process. In this paper, to explore the effect of different loading directions on the phase transformation of magnesium alloy, the model of AZ31 magnesium alloy was established, the process of Uniaxial Compression (UC) of magnesium alloy in different directions was simulated, the changes of atomic position and phase structure were observed, and the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions was summarized. The conclusions are as follows: the stress and strain, potential energy and volume change, void evolution, phase structure change and dislocation evolution of magnesium alloy are consistent, and there is no significant difference. In the process of uniaxial compression, the phase transformation of hexagonal closely packed (HCP) → face-centered cubic (FCC) is the main, and its structure evolves into HCP → Other → FCC. Shockley partial dislocations always precede FCC stacking faults by about 4.5%, and Shockley partial dislocations surround FCC stacking faults. In this paper, the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions is summarized, which provides a theoretical basis for the processing and development of magnesium-based nanoalloys.Qianhua YangChun XueZhibing ChuYugui LiLifeng MaHong GaoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Qianhua Yang Chun Xue Zhibing Chu Yugui Li Lifeng Ma Hong Gao Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
description	Abstract To develop and design mg-based nanoalloys with excellent properties, it is necessary to explore the forming process. In this paper, to explore the effect of different loading directions on the phase transformation of magnesium alloy, the model of AZ31 magnesium alloy was established, the process of Uniaxial Compression (UC) of magnesium alloy in different directions was simulated, the changes of atomic position and phase structure were observed, and the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions was summarized. The conclusions are as follows: the stress and strain, potential energy and volume change, void evolution, phase structure change and dislocation evolution of magnesium alloy are consistent, and there is no significant difference. In the process of uniaxial compression, the phase transformation of hexagonal closely packed (HCP) → face-centered cubic (FCC) is the main, and its structure evolves into HCP → Other → FCC. Shockley partial dislocations always precede FCC stacking faults by about 4.5%, and Shockley partial dislocations surround FCC stacking faults. In this paper, the phase transformation mechanism of AZ31 magnesium alloy under uniaxial compression under different loading directions is summarized, which provides a theoretical basis for the processing and development of magnesium-based nanoalloys.
format	article
author	Qianhua Yang Chun Xue Zhibing Chu Yugui Li Lifeng Ma Hong Gao
author_facet	Qianhua Yang Chun Xue Zhibing Chu Yugui Li Lifeng Ma Hong Gao
author_sort	Qianhua Yang
title	Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
title_short	Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
title_full	Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
title_fullStr	Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
title_full_unstemmed	Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31
title_sort	molecular dynamics study on the relationship between phase transition mechanism and loading direction of az31
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/4fcd80527a624df091d19254c228af9e
work_keys_str_mv	AT qianhuayang moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31 AT chunxue moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31 AT zhibingchu moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31 AT yuguili moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31 AT lifengma moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31 AT honggao moleculardynamicsstudyontherelationshipbetweenphasetransitionmechanismandloadingdirectionofaz31
_version_	1718387936136790016

Molecular dynamics study on the relationship between phase transition mechanism and loading direction of AZ31

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