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A deep insight of re-entrant martensitic transformation mechanism in Co2Cr(Ga,Si) shape memory alloys

文献类型：期刊论文

作者Zhao, Wenbin1,2; Zhao, Yi1; Li, Jian1,3; Tan, Changlong1; Zhang, Kun4,5
刊名JOURNAL OF ALLOYS AND COMPOUNDS
出版日期2024-12-15
卷号1008页码:7
关键词Re-entry martensitic transformation SMAs First-principle calculation Fermi Surface The minimum energy path
ISSN号0925-8388
DOI10.1016/j.jallcom.2024.176531
通讯作者Li, Jian(jian_li@hrbust.edu.cn) ; Tan, Changlong(changlongtan@hrbust.edu.cn) ; Zhang, Kun(kzhang@imr.ac.cn)
英文摘要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.
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
语种英语
WOS记录号WOS:001322729100001
出版者ELSEVIER SCIENCE SA
资助机构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
源URL  
专题金属研究所_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.

入库方式： OAI收割

来源：金属研究所

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