High-Throughput Experimentation and Holistic Integration with Computational Data for Accelerated Alloy Design

JiChengJC‘ Zhao 1

1 Department of Materials Science and Engineering, University of Maryland,
College Park, MD, USA

EXTENDED ABSTRACT: Experimental techniques for rapid collections of materials data and holistic approaches to integrate experimental and computational data will be described with examples. Localized property measurements on composition gradients created in diffusion multiples allow high-throughput collection of several materials properties as a function of composition, in addition to phase diagrams and diffusion coefficients. A novel approach was developed to establish reliable diffusion coefficient (atomic mobility) databases by holistically integrating both experimental and computational data. This approach together with much simplified models for diffusion coefficient will enable more reliable diffusion databases to be established rapidly for various simulations of materials processes. An approach that iteratively and holistically integrate experimental results with model predictions can be very effective in both establishing materials databases and accelerating alloy design.

Keywords: Diffusion coefficients; High throughput screening; Diffusion models; CALPHAD; Alloy design


[1]   Q. Zhang, W. Zhong, J.-C. Zhao, Acta Mater., 215 (2021) 117077

[2]   W. Zhong, J.-C. Zhao, Scripta Mater. 207 (2022) 114227

[3]   W. Zhong, J.-C. Zhao, Acta Mater., 201 (2020) 191.

[4]   J.-C. Zhao, Metall. Mater. Trans. A., 51 (2020) 5006

[5]   J.-C. Zhao, Prog. Mater. Sci., 51 (2006) 557

Brief Introduction of Speaker
JC Zhao

Dr. JC Zhao has been a Minta Martin Professor and Chair of the MSE Department at the University of Maryland since July 2019. 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 Themo-Calc to GE 25 years ago and initiated the diffusion multiple approach fbr accelerated materials development. Dr. Zhao holds 49 issued U.S. patents and was the 2001 winner of the prestigious Hull Award from GE. Dr. Zhao recently received the Humboldt Research Award in 2022 and is slated to receive the 2023 J. Willard Gibbs Phase Equilibria Award, He is a Fellow of ASM, MRS and TMS (2023 Class); 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,