文献类型：期刊文献

英文题名：Accelerating the development of multi-component Cu-Al-based shape memory alloys with high elastocaloric property by machine learning

作者：Zhao, Xin-Peng[1,2];Huang, Hai-You[1,2];Wen, Cheng[1,2,3];Su, Yan-Jing[1,2,4];Qian, Ping[4,5]

机构：[1]Univ Sci & Technol Beijing, Inst Adv Mat & Technol, Beijing 100083, Peoples R China;[2]Univ Sci & Technol Beijing, Beijing Key Lab Mat Genome Engn, Beijing 100083, Peoples R China;[3]Guangdong Ocean Univ, Sch Mech & Power Engn, Zhanjiang 524000, Peoples R China;[4]Univ Sci & Technol Beijing, Beijing Adv Innovat Ctr Mat Genome Engn, Beijing 100083, Peoples R China;[5]Univ Sci & Technol Beijing, Dept Phys, Beijing 100083, Peoples R China

年份：2020

卷号：176

外文期刊名：COMPUTATIONAL MATERIALS SCIENCE

收录：SCI-EXPANDED(收录号：WOS:000519572500008)、、EI(收录号：20200308038564)、Scopus(收录号：2-s2.0-85077771088)、WOS

基金：This research was funded by the National Natural Science Foundation of China (Grant No. 51574027), the Scientific and Technological Innovation Foundation of Shunde Graduate School, USTB (Grant No. BK19BE030), the National Key Research and Development Program of China (Grant No. 2016YFB0700500, 2018YFB0704300) and Guangdong Province Key Area R&D Program (Grant No. 2019B010940001).

语种：英文

外文关键词：Shape memory alloy; Machine learning; Elastocaloric effect; Entropy; Material informatics

外文摘要：Exploring elastocaloric materials with high transformation entropy change (Delta S) is a key mission for the development of elastocaloric refrigeration technology. Here, we show an adaptive design strategy, tightly coupled a machine learning (ML) with theoretical calculations to accelerate the discovery process of multi-component CuAl-based shape memory alloys (SMAs) with high Delta S. Based on a linear regression model, Al, Co, Fe, Ni are the elements that are beneficial to the significant promotion of Delta S in the Cu-Al-based alloys. In our results, Cu72.2Al20.2Ni6.2Co0.7B0.7 is discovered with the highest Delta S of 1.88 J/mol K from a potential space of similar to 500,000 compositions, which is higher than the highest ones found in ternary Cu-Al-Mn and reported experimental value by 9.9% and 17.5%.