Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory

Since the commercial applications of rare earth magnesium alloys are increasing gradually, there are considerable advantages to developing lower cost and higher performance magnesium alloys with high abundance rare earth (RE) elements. However, the alloying order of a matrix magnesium alloy is compl...

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Autores principales:	Yanfei Chen, Zhengqiang Zhu, Jixue Zhou, Huasheng Lai
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	rare earth magnesium alloy cerium strengthening mechanism first principles Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Acceso en línea:	https://doaj.org/article/3938f1aa788049a3a7015f16d802ba25
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spelling	oai:doaj.org-article:3938f1aa788049a3a7015f16d802ba252021-11-11T18:11:29ZStudy on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory10.3390/ma142166811996-1944https://doaj.org/article/3938f1aa788049a3a7015f16d802ba252021-11-01T00:00:00Zhttps://www.mdpi.com/1996-1944/14/21/6681https://doaj.org/toc/1996-1944Since the commercial applications of rare earth magnesium alloys are increasing gradually, there are considerable advantages to developing lower cost and higher performance magnesium alloys with high abundance rare earth (RE) elements. However, the alloying order of a matrix magnesium alloy is completely changed with the addition of RE elements. Therefore, further study of the strengthening mechanism of Ce element in magnesium alloys is required. In this work, the thermodynamic stability of the possible second phases in a Mg-Al-Mn-Ce multicomponent magnesium alloy were analyzed, based on first-principle calculations, and the precipitation sequence of the key RE phases was deduced as a consequence. Combined with Scanning Electron Microscope (SEM), X-ray Diffractometer (XRD), Energy Dispersive Spectrometer (EDS), and other experimental methods, it was investigated whether the preferentially precipitated second phases were the nucleation core of primary α-Mg. The complex alloying problem and strengthening mechanism in a multi-elemental magnesium alloy system were simplified with the aid of electronegativity theory. The results showed that the preferentially precipitated Al<sub>11</sub>Ce<sub>3</sub> and Al<sub>10</sub>Ce<sub>2</sub>Mn<sub>7</sub> phases could not be the nucleation core of primary α-Mg, and the grain refinement mechanism was such that the second phases at the grain boundary prevented the growth of magnesium grains. Moreover, the tensile test results showed that the reinforced structure, in which the Al-Ce phase was mixed with Mg-Al phase, was beneficial for improving the mechanical properties of magnesium alloys, at both ambient temperature and high temperature.Yanfei ChenZhengqiang ZhuJixue ZhouHuasheng LaiMDPI AGarticlerare earthmagnesium alloyceriumstrengthening mechanismfirst principlesTechnologyTElectrical engineering. Electronics. Nuclear engineeringTK1-9971Engineering (General). Civil engineering (General)TA1-2040MicroscopyQH201-278.5Descriptive and experimental mechanicsQC120-168.85ENMaterials, Vol 14, Iss 6681, p 6681 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	rare earth magnesium alloy cerium strengthening mechanism first principles Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
spellingShingle	rare earth magnesium alloy cerium strengthening mechanism first principles Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85 Yanfei Chen Zhengqiang Zhu Jixue Zhou Huasheng Lai Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
description	Since the commercial applications of rare earth magnesium alloys are increasing gradually, there are considerable advantages to developing lower cost and higher performance magnesium alloys with high abundance rare earth (RE) elements. However, the alloying order of a matrix magnesium alloy is completely changed with the addition of RE elements. Therefore, further study of the strengthening mechanism of Ce element in magnesium alloys is required. In this work, the thermodynamic stability of the possible second phases in a Mg-Al-Mn-Ce multicomponent magnesium alloy were analyzed, based on first-principle calculations, and the precipitation sequence of the key RE phases was deduced as a consequence. Combined with Scanning Electron Microscope (SEM), X-ray Diffractometer (XRD), Energy Dispersive Spectrometer (EDS), and other experimental methods, it was investigated whether the preferentially precipitated second phases were the nucleation core of primary α-Mg. The complex alloying problem and strengthening mechanism in a multi-elemental magnesium alloy system were simplified with the aid of electronegativity theory. The results showed that the preferentially precipitated Al<sub>11</sub>Ce<sub>3</sub> and Al<sub>10</sub>Ce<sub>2</sub>Mn<sub>7</sub> phases could not be the nucleation core of primary α-Mg, and the grain refinement mechanism was such that the second phases at the grain boundary prevented the growth of magnesium grains. Moreover, the tensile test results showed that the reinforced structure, in which the Al-Ce phase was mixed with Mg-Al phase, was beneficial for improving the mechanical properties of magnesium alloys, at both ambient temperature and high temperature.
format	article
author	Yanfei Chen Zhengqiang Zhu Jixue Zhou Huasheng Lai
author_facet	Yanfei Chen Zhengqiang Zhu Jixue Zhou Huasheng Lai
author_sort	Yanfei Chen
title	Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
title_short	Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
title_full	Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
title_fullStr	Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
title_full_unstemmed	Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
title_sort	study on the strengthening mechanism of rare earth ce in magnesium alloys, based on first-principle calculations and electronegativity theory
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/3938f1aa788049a3a7015f16d802ba25
work_keys_str_mv	AT yanfeichen studyonthestrengtheningmechanismofrareearthceinmagnesiumalloysbasedonfirstprinciplecalculationsandelectronegativitytheory AT zhengqiangzhu studyonthestrengtheningmechanismofrareearthceinmagnesiumalloysbasedonfirstprinciplecalculationsandelectronegativitytheory AT jixuezhou studyonthestrengtheningmechanismofrareearthceinmagnesiumalloysbasedonfirstprinciplecalculationsandelectronegativitytheory AT huashenglai studyonthestrengtheningmechanismofrareearthceinmagnesiumalloysbasedonfirstprinciplecalculationsandelectronegativitytheory
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Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory

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