LIZHI OUYANG教授学术报告 报告题目: Computational Modeling of High-Entropy Alloys: Structures, Thermodynamics and Elasticity 报告时间: 2018年6月8日下午3:30-4:30, 星期五 报告地点: 数理楼一楼145报告厅 摘要: Presented here is a short review on computational modeling of the formation, thermodynamics and elasticity of single-phase high-entropy alloys (HEAs). Hundreds of predicted single-phase HEAs are re-examined using various empirical thermo-physical parameters. Potential BCC HEAs are suggested based on CALPHAD modeling. First-principles calculations reveal that the vibrational contributions are responsible for the observed trend in excessive mixing entropy of HEAs. Calculated lattice parameters agree extremely well with averaged values estimated from the rule of mixtures (ROM) if the same crystal structure is used for the elements and the alloy. The deviation from ROM in bulk modulus and Poisson’s ratio are significantly less than that in shear modulus. 报告人简介: LIZHI OUYANG, Department of Physics and Mathematics, Tennessee State University, 3500 John A. Merritt Blvd., Nashville, TN, 37209. 2017–Present Professor of Physics, Tennessee State University. 2011–2017 Associate Professor of Physics, Tennessee State University. 2005–2011 Assistant Professor of Physics, Tennessee State University. 2004–2005 Assistant Research Professor of Physics, University of Missouri, Kansas City. 2000–2004 Research Associate, University of Missouri, Kansas City.