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英国帝国理工学院Thomas Mellan学术报告--学科论坛(6)

来源:本站 作者: 发布时间:2018-04-24


特邀报告专家:


Dr. Thomas. A. Mellan(英国帝国理工学院)


报告时间: 201852日,星期三上午0900 – 11:00


报告地点: 四川大学物理科学与技术学院,物理馆323学术报告厅


题目: Understanding Ceramics at High Temperature Using State-of-the-Art Computational Methods

Abstract: Density functional theory (DFT) has long been ubiquitous in the computational prediction of solid state properties at zero temperature. In past decade advances in computing power and code development have paved the way for more realistic high-temperature DFT predictions. In this talk we illustrate some insights state-of-the-art methods can now bring to our understanding of materials at high temperature. This presentation will discuss the results of high-temperature calculations for two materials, one of which is a structural material and the other is a functional material. In particular, we consider:

1)   the thermodynamics of an ultra-high temperature ceramic (UHTC) near the melting-point,

2)   pin-pointing the origin of a famous transition metal oxide phase transition.

 

欢迎各位老师和同学们光临!

四川大学物理科学与技术学院

2018424