Room-temperature superelasticity in Mg-Sc shape memory alloys revealed by first-principles calculations

doi:10.1016/j.jmrt.2024.06.051

IMR OpenIR

	Room-temperature superelasticity in Mg-Sc shape memory alloys revealed by first-principles calculations
	Yuan, Haosen 1; Zhao, Wenbin 1,2; Zhang, Hangyuan 1; Fan, Zhihang 1; Tian, Xiaohua 3; Zhang, Kun 4,5; Tan, Changlong 1
通讯作者	Zhao, Wenbin(wenbin_zhao@hrbust.edu.cn) ; Zhang, Kun(kzhang@imr.ac.cn) ; Tan, Changlong(changlongtan@hrbust.edu.cn)
	2024-05-01
发表期刊	JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
ISSN	2238-7854
卷号	30 页码:9592-9600
摘要	The discovery of the Mg-Sc shape memory alloy system has become a milestone in the development of lightweight shape memory alloys. However, for the application scenarios with the highest demand at room temperature, the Mg-Sc alloy faces problems such as excessively low phase transition temperatures and poor roomtemperature superelasticity, directly hindering the practical application of this new type of lightweight memory alloy. In this work, Mg-Sc based shape memory alloys with exceptional room temperature superelasticity have been screened for the first time utilizing Tm, phase transformation strain, and stress-strain curves. Co and Ge are selected as the most promising elements for improving Mg-Sc based alloys at room temperature. Furthermore, the mechanism behind the superelasticity of Mg-Sc alloy has been systematically unveiled and the average rate of energy change per unit time of the alloys was calculated for the first time. Co doped Mg-Sc based alloys exhibited the lowest variations in the average rate of energy change per unit time, Helmholtz free energy, and M1, along with a higher charge density between Co and Sc atoms. Additionally, a coupling effect between the d orbital of Co and Sc electrons and a lowered Fermi level was observed. These findings demonstrate that Co doping in Mg-Sc based alloys significantly reduces the superelastic hysteresis area and transformation driving force, and increases Tm and strain, thereby enhancing superelasticity. This research guides further studies and the design of new Mg-Sc based lightweight SMAs with outstanding superelasticity at room temperature.
关键词	Mg-Sc based SMAs Superelasticity Transformation temperature Elastic properties First-principles calculations
资助者	Heilongjiang Postdoctoral Founda- tion ; Fundamental Research Foundation for Universities of Heilongjiang Province ; National Natural Science Foundation of China ; Heilongjiang Provincial Natural Science Foundation of China
DOI	10.1016/j.jmrt.2024.06.051
收录类别	SCI
语种	英语
资助项目	Heilongjiang Postdoctoral Founda- tion[LBH-Z22192] ; Fundamental Research Foundation for Universities of Heilongjiang Province[2022-KYYWF-0132] ; National Natural Science Foundation of China[52271172] ; National Natural Science Foundation of China[52001101] ; National Natural Science Foundation of China[51971085] ; Heilongjiang Provincial Natural Science Foundation of China[YQ2022112]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001253450300001
出版者	ELSEVIER
引用统计	被引频次：2[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/321006/187591
专题	中国科学院金属研究所
通讯作者	Zhao, Wenbin; Zhang, Kun; Tan, Changlong
作者单位	1.Harbin Univ Sci & Technol, Sch Mat Sci & Chem Engn, Harbin 150080, Peoples R China 2.Harbin Univ Sci & Technol, Sch Mech Power Engn, Harbin 150080, Peoples R China 3.Harbin Univ Sci & Technol, Sch Elect & Elect Engn, Harbin 150080, Peoples R China 4.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 5.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Haosen,Zhao, Wenbin,Zhang, Hangyuan,et al. Room-temperature superelasticity in Mg-Sc shape memory alloys revealed by first-principles calculations[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,30:9592-9600.
APA	Yuan, Haosen.,Zhao, Wenbin.,Zhang, Hangyuan.,Fan, Zhihang.,Tian, Xiaohua.,...&Tan, Changlong.(2024).Room-temperature superelasticity in Mg-Sc shape memory alloys revealed by first-principles calculations.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,30,9592-9600.
MLA	Yuan, Haosen,et al."Room-temperature superelasticity in Mg-Sc shape memory alloys revealed by first-principles calculations".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 30(2024):9592-9600.