稀土硬质合金刀具材料的强化机理研究

IF 1.5 4区 材料科学 Q3 ENGINEERING, MECHANICAL
Zhaopeng Hao, Yuan-gen Qiu, Yihang Fan
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引用次数: 1

摘要

本文采用基于密度泛函理论的第一性原理方法,通过Materials Studio(MS)软件建立了WC/WC-Co的界面模型。在此界面结构的基础上,对稀土元素Y进行掺杂,分别计算了掺杂前后WC/WC-Co的能量。对电子结构进行了分析,并对两种结构的计算结果进行了比较。最后,用MATLAB的元胞自动机模拟了晶粒的生长,验证了我们的计算和分析结果。结果表明,掺杂Y元素后,界面粘附功增加,界面结构更加稳定。界面能降低,在晶粒细化中起作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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.
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来源期刊
CiteScore
3.00
自引率
0.00%
发文量
30
审稿时长
4.5 months
期刊介绍: Multiscale characterization, modeling, and experiments; High-temperature creep, fatigue, and fracture; Elastic-plastic behavior; Environmental effects on material response, constitutive relations, materials processing, and microstructure mechanical property relationships
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