峨眉校区 财政科研政策 快速链接

全部活动
近7天活动
本周活动
本月活动
往期活动
搜索活动
按活动类别
全部
讲座
展览
社团活动
文艺演出
体育比赛
学术会议
其他
按活动地点
全部
犀浦校区
九里校区
峨眉校区
活动标题: Simulation of the Thin Passivation Layers
活动时间: 2017年11月27日 09:30
主讲: Prof. Dr. Yue Qi
地点: 机械馆2331(材料学院会议室)

讲座题目:Simulation of the Thin Passivation Layers— for Aluminum Forming and Lithium-Ion Battery Durability

 

讲座时间:2017年11月27日(星期一)上午9:30-11:30               

讲座地点:机械馆2331(材料学院会议室)

 

主讲人简介:Prof.Dr. Yue Qi

Dr. Yue Qi is an associate professor in the Chemical Engineering and Materials Science Department at Michigan State University (MSU). She received her Ph.D. in Materials Science from California Institute of Technology in 2001. She was a co-recipient of 1999 Feynman Prize in Nanotechnology for Theoretical Work during her Ph.D. study. After her Ph.D., she spent 12 years working at the Chemical Sciences and Materials Systems Lab, General Motors R&D Center. At GM, she developed multi-scale models starting from atomistic level to solve problems related to forming and machining of lightweight alloys, and developing energy materials for batteries and fuel cells. She won three GM Campbell awards for fundamental research on various topics and TMS Young Leader Professional Development Award. She transitioned from industry to academia in 2013 and quickly built the “Materials Simulation for Clean Energy” Lab at MSU. Recently, she received the 2017 TMS Brimacombe Medalist Award.

摘要:

Spontaneously formed passivation layers, such as oxides on the aluminum surface, can enable many important applications by blocking the diffusion of the reacting species. Lithiated graphite, lithiated silicon, and lithium metal, as current and future anode materials, are covered by a passivation layer in battery cells due to spontaneous electrolyte reduction reactions. This passivation layer must have“selective”transport properties: blocking electrons from attacking the electrolytes, while allowing Li+ion to pass through so the electrochemical reactions can continue, therefore it is often called “solid electrolyte interphase (SEI)”. Despite the importance, their structure-property relationship is largely unknown due to their nanometer thickness.

Using reactive molecular dynamics and density functional theory calculations, the transport and mechanical properties can be predicted and the chemical and structural evolution of these passivation layers can be tracked. Several important examples will be discussed in this talk.

For the oxides formed on solid and liquid aluminum, it is more ductile and stretchable than the crystalline Al2O3. When it is embedded inside casting aluminum, the breaking point is at the Al/oxide interface, serving as fatigue cracking nucleation sites.

For the SEI in Li-ion batteries, the fracture and delamination of the SEI on Si electrode are simulated, leading todesign criteria for mechanically stable coated Si nanostructures andbattery operating guidelines to mitigate capacity loss due to trapped Li and coating delamination.

—————————————————————————————————————————————————————————————————————备注:齐教授同时也会对有兴趣去MSU读博的本科生和研究生做招生宣讲

主办:西南交通大学研究生院,西南交通大学材料科学与工程学院

承办:西南交通大学交通运输装备轻量化研究所

邀请人:尹冬弟 博士 ahnydd@swjtu.edu.cn 材料科学与工程学院,材料加工系

学校概况
组织机构
人才培养
科学研究
招生就业
交流合作
诚聘英才