报告题目： Nanoscale Modeling of Materials
报 告 人： Prof. Ali Zaoui
University of Lille 1, France
报告时间： 2014年6月18日 (星期三 ) 上午10:00-11:30
报告地点： 芝纶馆308
主办单位：力学与材料学院
报告内容：
In this talk I will present some recent theoretical results based on ab initio, Molecular dynamics and Monte Carlo simulations related to various systems. I will show some studies related to surface, interface, defects and impurities, and how to analyze the electronic, magnetic, mechanical and thermodynamics properties of materials at atomic level. Several systems will be considered such as clays, rocks, metals, ceramics, cementitious materials. I will also explain the prediction of new systems from the effect of hydrostatic pressure. Moreover, a special focus will be on environment by considering the interactions of pollutants and radio-nucleides with the surface of materials.报告内容：