MSE Seminar: Holistic Integration of both Experimental and Computational Data - JC Zhao, UMD
Speaker: JC Zhao, Minta Martin Professor & Chair, Dept of Materials Science & Engineering
University of Maryland
Title: Holistic Integration of both Experimental and Computational Data for Rapid and Reliable Establishment of Diffusion Databases
Substantial progresses have been made in recent years on both experimental measurements and computational predictions of diffusion coefficients. On the experimental front, diffusion multiples and liquid-solid diffusion couples together with forward-simulation analysis provide efficient and reliable determination of both impurity (dilute) diffusion and interdiffusion coefficients. Calculated diffusion coefficients based on density functional theory have also demonstrated impressive reliability, especially for the activation energy values. A novel approach was developed to establish reliable diffusion coefficient (atomic mobility) databases by holistically integrating both experimental and computed data. This approach together with much simplified models for diffusion coefficient will enable more reliable diffusion databases to be established rapidly for various simulations. Diffusion coefficients of lightweight magnesium alloys and titanium alloys will be shown together with a large number of binary and ternary systems covering a wide variety of alloy systems.
Dr. JC Zhao is a Minta Martin Professor of Engineering and Chair of the MSE Department at the University of Maryland. He was a Program Director at DOE ARPA-E from 2014 to 2017 and was a professor at Ohio State from 2008 to 2014 and also from 2017-2019. Before academia, Dr. Zhao was a materials scientist at GE Research Center for 12 years (1995-2007) where he introduced Thermo-Calc to GE 25 years ago and initiated the diffusion multiple approach for accelerated materials development. Zhao holds 49 issued U.S. patents and was the 2001 winner of the prestigious Hull Award from GE. He is a Fellow of both ASM and MRS, and received the 2021 TMS William Hume-Rothery Award that “is presented annually to recognize a scientific leader for exceptional scholarly contributions to the science of alloys."