{"title":"稀土硬质合金刀具材料的强化机理研究","authors":"Zhaopeng Hao, Yuan-gen Qiu, Yihang Fan","doi":"10.1115/1.4056278","DOIUrl":null,"url":null,"abstract":"\n In this paper, the first principle method based on density functional theory is adopted to establish the interface model of WC/WC-Co through the software Materials Studio (MS). On the basis of this interface structure, rare earth element Y is doped, and then the energy of WC/WC-Co before and after doping is calculated respectively. The electronic structure is analyzed, and the calculation results of the two structures are compared. Finally, the grain growth is simulated by cellular automata of MATLAB to verify our calculation and analysis results. The results show that the interfacial adhesion work increases and the interface structure is more stable after doping Y element. The interface energy decreases and plays a role in grain refinement.","PeriodicalId":15700,"journal":{"name":"Journal of Engineering Materials and Technology-transactions of The Asme","volume":null,"pages":null},"PeriodicalIF":1.5000,"publicationDate":"2022-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Research on Strengthening Mechanism of Rare Earth Cemented Carbide Tool Material\",\"authors\":\"Zhaopeng Hao, Yuan-gen Qiu, Yihang Fan\",\"doi\":\"10.1115/1.4056278\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n In this paper, the first principle method based on density functional theory is adopted to establish the interface model of WC/WC-Co through the software Materials Studio (MS). On the basis of this interface structure, rare earth element Y is doped, and then the energy of WC/WC-Co before and after doping is calculated respectively. The electronic structure is analyzed, and the calculation results of the two structures are compared. Finally, the grain growth is simulated by cellular automata of MATLAB to verify our calculation and analysis results. The results show that the interfacial adhesion work increases and the interface structure is more stable after doping Y element. The interface energy decreases and plays a role in grain refinement.\",\"PeriodicalId\":15700,\"journal\":{\"name\":\"Journal of Engineering Materials and Technology-transactions of The Asme\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.5000,\"publicationDate\":\"2022-11-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Engineering Materials and Technology-transactions of The Asme\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1115/1.4056278\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Engineering Materials and Technology-transactions of The Asme","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1115/1.4056278","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
Research on Strengthening Mechanism of Rare Earth Cemented Carbide Tool Material
In this paper, the first principle method based on density functional theory is adopted to establish the interface model of WC/WC-Co through the software Materials Studio (MS). On the basis of this interface structure, rare earth element Y is doped, and then the energy of WC/WC-Co before and after doping is calculated respectively. The electronic structure is analyzed, and the calculation results of the two structures are compared. Finally, the grain growth is simulated by cellular automata of MATLAB to verify our calculation and analysis results. The results show that the interfacial adhesion work increases and the interface structure is more stable after doping Y element. The interface energy decreases and plays a role in grain refinement.