Revealing essence of magnetostructural coupling of Ni-Co-Mn-Ti alloys by first-principles calculations and experimental verification

作     者：Zi-Qi Guan Jing Bai Yu Zhang Jiang-Long Gu Xin-Jun Jiang Xin-Zeng Liang Run-Kai Huang Yu-Dong Zhang Claude Esling Xiang Zhao Liang Zuo Zi-Qi Guan;Jing Bai;Yu Zhang;Jiang-Long Gu;Xin-Jun Jiang;Xin-Zeng Liang;Run-Kai Huang;Yu-Dong Zhang;Claude Esling;Xiang Zhao;Liang Zuo

作者机构：Key Laboratory for Anisotropy and Texture of MaterialsSchool of Material Science and EngineeringNortheastern University.Shenyang 110819China School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004China State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066004.China Hebei Provincial Laboratory for Dielectric and Electrolyte Functional Materials.Qinhuangdao 066004China Laboratoire d'Etude des Microstructures et de Mécanique des Matériaux.University of LorraineMetz 57045France 

出 版 物：《Rare Metals》 (稀有金属（英文版）)

年 卷 期：2022年第41卷第6期

页      面：1933-1947页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：financially supported by the National Natural Science Foundation of China (No.51771044) the Natural Science Foundation of Hebei Province (No.E2019501061) the Fundamental Research Funds for the Central Universities (No. N2023027) Program of Introducing Talents of Discipline Innovation to Universities 2.0 (No.BP0719037) LiaoNing Revitalization Talents Program (No.XLYC1802023) 

主　　题：Ni-Co-Mn-Ti First-principles calculations Martensitic transformation Magnetostructural coupling Mechanical properties 

摘      要：In this work,the effects of Co doping on the magnetostructural coupling transformation of Ni_(50-x)Co_(x)Mn_(50-y)Ti_(y)(x=0-15,y=12.5-15)Heusler alloys were systematically investigated through the first-princi-ples calculations and experimental *** cal-culation result indicates that the doped Co atoms prefer to occupy the Ni *** Co atoms tend to flock together in terms of the lowest energy *** the formation energy of the austenite is higher than that of the martensite,the alloys will undergo martensitic transfor-mation for the Ni_(50-x)Co_(x)Mn_(37.5)Ti_(12.5)alloys(x=0-12.5).The magnetostructural coupling point of Ni_(50-x)Co_(x)Mn_(37.5)Ti_(12.5)alloys is predicted in the vicinity of x=*** on the computational composition Ni_(37.5)Co_(12.5)Mn_(37.5)Ti_(12.5),the Ni_(36)Co_(14)Mn_(36)Ti_(14)alloy with magnetostructural coupling near room temperature was experimentally developed by simultaneously increasing the Ti and Co *** largest magnetization change(ΔM)and magnetic entropy changes(ΔS_(m))obtained under magnetic field of 5 T for the martensitic transformation in the Ni_(36)Co_(14)Mn_(36)Ti_(14) alloy are about 87.6 A·m^(2)·kg^(-1)and 21 J·kg^(-1)·K^(-1),*** fracture strength and strain for non-textured polycrystalline Ni_(36)Co_(14)Mn_(36)Ti_(14)alloy reach 953 MPa and 12.3%,*** results show that the alloy not only possesses a large magne-tocaloric effect but also has excellent mechanical *** addition,the 6 M modulated martensite is evidenced in the Ni-Co-Mn-Ti alloys via transmission electron microscopy technique.