电子论坛:Computational Materials Design from First Principles based Atomistic Simulations

文:倪祖旭 图:倪祖旭 / 来源:电子学院 / 2018-07-12 / 点击量:229

  由电子科学与工程学院主办的“电子论坛”第26期邀请到美国内华达大学的Qi An博士,与我校师生共同探讨基于原子模拟的材料设计与计算方面的研究成果。具体安排如下,欢迎感兴趣的师生参加。

  主 题:Computational Materials Design from First Principles based Atomistic Simulations  

  主讲人:Qi An (Assistant Professor, University of Nevada,Reno (UNR))

  时 间:2018年7月13日(周五)10:00-11:00

  地 点:清水河校区五号科研楼307会议室

  内容简介:

  Modern engineering applications desire materials with significantly improved properties including superior mechanical, chemical and physical properties, enhanced adhesion and surface properties, and superior electronic properties. For example, body armor for soldiers requires lightweight, high strength and high ductility for the materials. First principles based atomistic modeling approaches offer unique opportunities to elucidate the fundamental mechanisms of materials and processes at relevant service conditions, which are essential to designing lighter, stronger, more ductile and more environmental friendly materials. In this talk, we will use following examples to illustrate how to design materials with improved properties by applying first principles based atomistic simulations: (1) Design ductile superhard ceramics; (2) Design mechanical stable thermoelectric materials using nano-scale twins; (3) Improve the catalytic efficiency of Fe in Haber–Bosch process.

  主讲人简介:

电子论坛第26期-Qi An.jpg

  Qi An is an assistant professor in Chemical & Materials Engineering Department at University of Nevada, Reno (UNR). He joined UNR in July 2016. Before then, he was a research scientist in the Division of Chemistry and Chemical Engineering at California Institute of Technology (Caltech). Qi An received his B.S. from University of Science and Technology of China, and his Ph.D. in Materials Science from Caltech in 2012. His research area is computational materials science. His research specifically focuses on material properties under extreme conditions; deformation and failure mechanism of superhard ceramics, metallic glasses, metals, and thermoelectric materials; detonation and sensitivity of energetic materials; and surface chemistry. He has authored or co-authored over 90 publications in the peer-review scientific journals including Science, Physical Review Letters, Nature Communications, Proceedings of the National Academy of Science, Nano Letters, etc.

 

                      电子科学与工程学院

                       2018年7月12日


编辑:罗莎  / 审核:林坤  / 发布者:陈伟