High-throughput simulation combined machine learning search for optimum elemental composition in medium entropy alloy

Jia Li ¹Baobin Xie ¹Qihong Fang ¹Bin Liu ²Yong Liu ²Peter K.Liaw³

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作者信息

1. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha, 410082, China
2. State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083, China
3. Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN, 37996, USA
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Abstract

In medium/high entropy alloys,their mechanical properties are strongly dependent on the chemical-elemental composition.Thus,searching for optimum elemental composition remains a critical issue to maximize the mechanical performance.However,this issue solved by traditional optimization process via "trial and error" or experiences of domain experts is extremely difficult.Here we propose an approach based on high-throughput simulation combined machine learning to obtain medium entropy alloys with high strength and low cost.This method not only obtains a large amount of data quickly and accurately,but also helps us to determine the relationship between the composition and mechanical properties.The results reveal a vital importance of high-throughput simulation combined machine learning to find best mechanical properties in a wide range of elemental compositions for development of alloys with expected performance.

Key words

Medium entropy alloy/Optimum elemental composition/High-throughput simulation/Machine learning

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基金项目

This work was supported financially by the Foundation for Innovative Research Groups of the National Natural Science Foundation (51621004)

National Natural Science Foundation of China(51871092)

National Natural Science Foundation of China(11772122)

National Natural Science Foundation of China(51625404)

National Natural Science Foundation of China(51771232)

National Natural Science Foundation of China()

National Natural Science Foundation of China(51671217)

State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body(71865015)

State Key Laboratory of Powder Metallurgy,and the National Key Research and Development Program of China(2016YFB0700300)

2016YFB1100103).P.K.Liaw very much appreciates the support of the U.S.Army Research Office Project(W911NF-13-1-0438)

2016YFB1100103).P.K.Liaw very much appreciates the support of the U.S.Army Research Office Project(W911NF-19-2-0049)

with the program managers,Drs.M.P.Bakas,S.N.Mathaudhu,and D.M.Stepp.P.K.Liaw thanks the support from the National Science Founda(DMR-1611180)

with the program managers,Drs.M.P.Bakas,S.N.Mathaudhu,and D.M.Stepp.P.K.Liaw thanks the support from the National Science Founda(1809640)

出版年

2021

材料科学技术(英文版)

中国金属学会中国材料研究学会中国科学院金属研究所

材料科学技术(英文版)

CSTPCDCSCDSCI

影响因子：0.657

ISSN：1005-0302

参考文献量39

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