Yong Du
1 State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 41008
ABSTRACT: This report presents our research results in phase diagram and phase transition software and intelligent design of engineering materials, and shows several examples of cross-scale calculations in the R&D of cemented carbides, hard coatings and Al alloys. We have developed (1) ICALPHAD based on mathematical theories and thermodynamics, a software which realizes the efficient and stable calculation of multi-component multi-phase phase diagrams, (2) CALTPP, a high-efficiency and stable software for the calculation of thermophysical properties of multi-component multi-phase systems, (3) PreCalc, a software for calculating the precipitation kinetics of multi-component multi-phase alloys, (4) a multi-scale phase field model to quantitatively simulate microstructure evolution at various scales, (5) RMDML, a machine learning software that integrates the functions of feature engineering, machine learning, hyperparameter optimization, and performance prediction, which can efficiently establish the mapping relationship between composition-process-microstructure-properties and provide guidance for forward and reverse design of materials. (6) We have established scientific databases of cemented carbides, hard coatings, and Al alloys with independent intellectual property rights based on key experiments, phase diagram and first-principles calculations. (7) Based on the phase diagram and phase transition software and scientific database, intelligent design of cemented carbide, wearresistant coatings and aluminum alloys has been realized, and the relevant products have been exported to 72 countries, including Europe, America, and Japan.
Keywords: Phase diagram, Phase transition, Engineering materials design, Software development, Scientific databases
Prof. Yong Du, vice director of the State Key Laboratory of Powder Metallurgy of Central South University, director of the Sino-German Joint Laboratory of Computational Materials Engineering for Electrochemical Storage System Integration and Sino-German Joint Laboratory of Microstructures. He is a Humboldt Scholar, Chief Scientist of 973 Program, Head of Innovative Research Team of National Foundation of China, Recipient of National Science Fund for Distinguished Young Scholars, and Distinguished Professor of Cheung Kong Scholars Program. He is an associate managing editor of the international journals CALPHAD and J. Phase Equili. Diff., and member of the editorial boards of the international journals Int. J. Mater. Res., Vacuum and J. Mining & Metall., as well as of the editorial boards of five domestic journals, including Acta Metallurgica Sinica. He has been awarded one first prize of Provincial Natural Science, one third prize of National Natural Science, one best paper award of International Committee for Phase Diagrams, and 10 invention patents. He has published 823 papers, including 703 SCI papers with nearly 15,000 citations in SCI. A monograph "Computational Design of Engineering Materials: Fundamentals and Case studies" has been published by Cambridge University Press and promoted by ASM in the worldwide.