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The State Key Lab of
High Performance Ceramics and Superfine Microstructure Shanghai Institute of Ceramics, Chinese Academy of Sciences
中 国 科 学 院 上 海 硅 酸 盐 研 究 所 高 性 能 陶 瓷 和 超 微 结 构 国 家 重 点 实 验 室
Ternary Phase Diagram Construction
Sci. Sergij Lakiza
Institute for Problems in Materials Science, National Academy of Sciences of Ukraine
First-principle study of the influence of oxygen on lattice thermal conductivity of beta Si3N4. Part 1: Initial structures and baseline LTC
Oleksandr Vasiliev
Institute for Problems in Materials Science, National Academy of Sciences of Ukraine
时间：2019 年 5 月7日（星期二）上午 9:30
地点：嘉定园区G楼三楼第一会议室
欢迎广大科研人员和研究生参与讨论！
联系人：张景贤研究员，刘建军研究员
Lecture 1：
Abstract ：
1. Construction of preliminary model.
2. Selection of compositions for investigation.
3. Methods of sample preparation.
4. Samples thermal treatment.
5. Methods of sample analysis.
6. Phase diagram construction.
7. Dialog with THERMOCALC.
Lecture 2：
Abstract ：Significant increase in thermal conductivity of silicon nitride ceramics in recent decades poses a question of the rational limits of its improvement. One of the ways to address the issue is the calculation of lattice thermal conductivity and related properties and analysis of mechanisms of various influences on it. This presentation will concentrate on the problem of studying the influence of oxygen in the crystal lattice o beta silicon nitride, discuss possible ways of modeling the oxygen-containing structure and the results of first-principle calculation of baseline thermal conductivity of beta silicon nitride using phonon relaxation times and solution of Boltzmann transport equation approach, as realised in the Phono3py software package.
