从多元组件谷物边界透设计中开发高性能陶
Meiqi Han1,2, Pei Ren1, Mu Zhang1,2
1Key Laboratory for Anisotropy and Texture of Materials, School of Material Science and Engineering, Northeastern University, Shenyang, 110819, China.
Small (Weinheim an der Bergstrasse, Germany)
|October 18, 2024
概括
一个新的多元件谷物边界 (MGBE) 描述符预测陶性能. 高MGBE添加剂通过最小化玻璃化阶段和缺陷来创建高性能陶.
科学领域:
- 材料科学 材料科学 材料科学
- 陶工程 陶工程 陶工程
- 计算材料科学科学 计算材料科学
背景情况:
- 颗粒边界 (GB) 玻璃化阶段对陶性能产生负面影响.
- 控制GB相组合对于高性能陶至关重要.
研究的目的:
- 引入一个多元粒边界 (MGBE) 描述符,用于评估高的 GB 阶段.
- 为了将MGBE与微观结构特征和陶性能相关联.
- 为了能够快速选烧结添加剂以实现合理的陶设计.
主要方法:
- 高通量第一原则计算来提取MGBE描述符.
- 用各种多元件烧结添加剂对Si3N4陶系统进行建模.
- 分析GB相结晶性,元素分离和孔隙形成.
主要成果:
- MGBE与GB相结晶性,元素分离和孔隙形成直接相关.
- 最高的MGBE添加剂组合 (MgO-Y2O3-Er2O3-Yb2O3) 产生了同质的微观结构和纯 GB 阶段.
- 低MGBE添加剂导致显著的玻璃化阶段,分离和孔隙集群.
结论:
- MGBE描述符有效地捕捉了高的GB相的性质.
- MGBE可以快速选多组件烧结添加剂.
- 这种方法为设计具有量身定制的微观结构的高性能陶提供了一条新的途径.
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