Investigation on the crystal structure and mechanical properties of the ternary compound Mg11-xZnxSr combined with experimental measurements and first-principles calculations

doi:10.1016/j.jma.2021.07.011

IMR OpenIR

	Investigation on the crystal structure and mechanical properties of the ternary compound Mg11-xZnxSr combined with experimental measurements and first-principles calculations
	Wang, Jian 1; Meng, Lingzhong 1; Zhang, Zhang 1; Sa, Baisheng 2; Fu, Xiaoxiao 3; Sheng, Liyuan 4,5; Xu, Daokui 6; Zheng, Yufeng 4
通讯作者	Fu, Xiaoxiao(xiaoxiao.fu@outlook.com) ; Sheng, Liyuan(lysheng@yeah.net)
	2023-03-01
发表期刊	JOURNAL OF MAGNESIUM AND ALLOYS
ISSN	2213-9567
卷号	11 期号:3 页码:1074-1082
摘要	A new ternary compound, Mg11-xZnxSr in the Mg-Zn-Sr system was observed and studied using Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscope (EDS), X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized Mg11-xZnxSr phase belonged to tetragonal I41/amd space group and had the Cd11Ba prototype. The Mg atoms were successfully doped into Zn11 Sr crystal lattice by occupying Zn atomic sites. Moreover, the Rietveld refinement and computational results demonstrated a gradual decrease in the a -axis and c-axis lattice parameters with decreasing concentration levels of Mg coordination substitution in the lattice of Mg11-xZnxSr compound. The elastic constants and modulus of the Mg11-xZnxSr compounds calculated by first-principles calculations (FPC) indicated they were increased with the increasing of Zn content. The variation of hardness, D-band widths and the total density of states for Mg11-xZnxSr compounds with Zn content was discussed.(c) 2021 Chongqing University. Publishing services provided by Elsevier B.V. on behalf of KeAi Communications Co. Ltd. This is an open access article under the CC BY-NC-ND license ( http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer review under responsibility of Chongqing University
关键词	Mg-Zn-Sr system Crystal structure Hardness Elastic constants Modulus
资助者	National Key Re-search and Development Program of China ; Natural Science Foundation of Guangdong Province , China ; Shenzhen Basic Research Project ; IER Foundation
DOI	10.1016/j.jma.2021.07.011
收录类别	SCI
语种	英语
资助项目	National Key Re-search and Development Program of China[2018YFC1106702] ; Natural Science Foundation of Guangdong Province , China[2020A1515011301] ; Natural Science Foundation of Guangdong Province , China[2018A0303100018] ; Natural Science Foundation of Guangdong Province , China[2018A030313950] ; Shenzhen Basic Research Project[JCYJ20170815153143221] ; Shenzhen Basic Research Project[JCYJ20200109144608205] ; Shenzhen Basic Research Project[JCYJ20170815153210359] ; IER Foundation[HT-JD-CXY-201902] ; IER Foundation[HT-JD-CXY-201907]
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000991724700001
出版者	KEAI PUBLISHING LTD
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/178028
专题	中国科学院金属研究所
通讯作者	Fu, Xiaoxiao; Sheng, Liyuan
作者单位	1.Yangzhou Univ, Sch Mech Engn, Yangzhou 225127, Peoples R China 2.Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Ecomat Adv Technol, Fuzhou 350108, Peoples R China 3.Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400044, Peoples R China 4.Peking Univ, Shenzhen Inst, Shenzhen 518057, Peoples R China 5.PKU HKUST ShenZhen HongKong Inst, Shenzhen 518057, Peoples R China 6.Chinese Acad Sci, Inst Met Res, Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Wang, Jian,Meng, Lingzhong,Zhang, Zhang,et al. Investigation on the crystal structure and mechanical properties of the ternary compound Mg11-xZnxSr combined with experimental measurements and first-principles calculations[J]. JOURNAL OF MAGNESIUM AND ALLOYS,2023,11(3):1074-1082.
APA	Wang, Jian.,Meng, Lingzhong.,Zhang, Zhang.,Sa, Baisheng.,Fu, Xiaoxiao.,...&Zheng, Yufeng.(2023).Investigation on the crystal structure and mechanical properties of the ternary compound Mg11-xZnxSr combined with experimental measurements and first-principles calculations.JOURNAL OF MAGNESIUM AND ALLOYS,11(3),1074-1082.
MLA	Wang, Jian,et al."Investigation on the crystal structure and mechanical properties of the ternary compound Mg11-xZnxSr combined with experimental measurements and first-principles calculations".JOURNAL OF MAGNESIUM AND ALLOYS 11.3(2023):1074-1082.