报告题目：Combining experiment, theory and modelling to better understand and design functional materials
报告内容简介：Many advanced materials, e.g. insertion electrodes and solid electrolytes for batteries, are difficult objects for stand-alone crystal structural analysis based on diffraction techniques due to intrinsic high disorder of one of the sublattices. Traditional diffraction data analysis based on atomic models is often unstable or unable to fully capture all the details due to correlations between variables. Additional difficulties arise from the limitations of X-ray diffraction in locating light elements and distinguishing elements with close atomic numbers (e.g. Mn/Ni/Co). Combining diffraction data analysis with other approaches, such as Maximum Entropy Method, and atomistic modelling and theoretical symmetry analysis allows to reveal a more complete picture. I will illustrate the point using recent studies of several such structurally complex materials for battery applications. All of them have been studies for decades and yet complementing experiment with theory and modelling revealed new features which help understand and design or improve properties.
报告人姓名：Maxim Avdeev
报告人简介：Max Avdeev is responsible for the high-resolution neutron powder diffractometer at the OPAL research reactor operated by the Australian Nuclear Science and Technology Organisation (ANSTO). He received PhD in 1999 for the work in synthesis and crystal structural studies of Na-superionic conductors. After postdoctoral position at the Argonne National Laboratory (USA), in 2005 he joined ANSTO as a full-time researcher. He also holds Adjunct Professor position at the University of Sydney. His main research interests are studies of crystal and magnetic structure of inorganic materials using X-ray and neutron diffraction and atomistic modelling. The results were published in over 350 papers in condensed matter physics, solid state chemistry, and materials science journals.
报告人单位：Australian Nuclear Science and Technology Organisation (ANSTO)
报告时间：2018-12-11 09:00
报告地点：上大东区MGI大楼510会议室
主办单位：上海大学材料学院
联系人：施思齐