A deep insight of re-entrant martensitic transformation mechanism in Co<sub>2</sub>Cr(Ga,Si) shape memory alloys

doi:10.1016/j.jallcom.2024.176531

IMR OpenIR

	A deep insight of re-entrant martensitic transformation mechanism in Co₂Cr(Ga,Si) shape memory alloys
	Zhao, Wenbin 1,2; Zhao, Yi 1; Li, Jian 1,3; Tan, Changlong 1; Zhang, Kun 4,5
通讯作者	Li, Jian(jian_li@hrbust.edu.cn) ; Tan, Changlong(changlongtan@hrbust.edu.cn) ; Zhang, Kun(kzhang@imr.ac.cn)
	2024-12-15
发表期刊	JOURNAL OF ALLOYS AND COMPOUNDS
ISSN	0925-8388
卷号	1008 页码:7
摘要	Co2Cr(Ga,Si) shape memory alloys have a wide application temperature range due to the unique re-entrant martensite phase transformation (RMT) behavior. Nevertheless, the microscopic mechanism of RMT remains elusive and unsystematic. The heart of this investigation lies the comprehensive exploration of phase stability, phase transformation path, and martensite slip direction during RMT from martensite (D022 22-PM) to austenite (L21 1-FM). In this work, we systematically investigate the re-entrant martensitic transformation of Co2Cr(Ga,Si) 2 Cr(Ga,Si) SMAs using first-principles methods for the first time. Firstly, the density of states (DOS) calculation indicates that the stability of L21 1-FM is higher than D022 22-PM. The charge density calculation further indicates that the bonding strength between Co atoms and Cr (Si) atoms in the L21 1-FM phase is the highest. In addition, Fermi surface calculation further reveals that phase instability is due to the Fermi surface nesting caused by electron- phonon coupling. Moreover, the minimum energy path was calculated by the G-SSNEB method for the first time, which indicates the RMT can occur. Finally, the calculation of the elastic constants indicates that RMT is caused by the crystal plane slip of the D022 22-PM phase along the <110> direction. Our calculations provide the electronic-level and thermodynamic mechanism for RMT of Co2Cr(Ga,Si) 2 Cr(Ga,Si) alloy and shed some light on the revelation of the phase transformation mechanism.
关键词	Re-entry martensitic transformation SMAs First-principle calculation Fermi Surface The minimum energy path
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.jallcom.2024.176531
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	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001322729100001
出版者	ELSEVIER SCIENCE SA
引用统计	被引频次：1[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/321006/190201
专题	中国科学院金属研究所
通讯作者	Li, Jian; Tan, Changlong; Zhang, Kun
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.Weihai Polycrystalline Tungsten Molybdenum Technol, Weihai 264200, 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	Zhao, Wenbin,Zhao, Yi,Li, Jian,et al. A deep insight of re-entrant martensitic transformation mechanism in Co₂Cr(Ga,Si) shape memory alloys[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2024,1008:7.
APA	Zhao, Wenbin,Zhao, Yi,Li, Jian,Tan, Changlong,&Zhang, Kun.(2024).A deep insight of re-entrant martensitic transformation mechanism in Co₂Cr(Ga,Si) shape memory alloys.JOURNAL OF ALLOYS AND COMPOUNDS,1008,7.
MLA	Zhao, Wenbin,et al."A deep insight of re-entrant martensitic transformation mechanism in Co₂Cr(Ga,Si) shape memory alloys".JOURNAL OF ALLOYS AND COMPOUNDS 1008(2024):7.