材料基因工程数据库和数据技术
宿彦京
北京科技大学新材料技术研究院
摘要
数据库和数据技术是材料基因工程的重要组成部分，它支撑高通量计算和高通量实验的数据需求，另一方面通过高通量实验和高通量计算可以极大地丰富数据库，与数据挖掘和机器学习技术相融合，发现新知识、新规律，服务于新材料的设计。
本文综述了材料数据库的相关发展和特点，以及数据挖掘技术在材料科学研究和新材料探索中的应用，以数据挖掘技术在高熵合金中的应用为例，分析了不同数据技术的应用范围和特点。
DOI: 10.12110/firstfmge.20171121.412
Dr. Su is a professor in Corrosion and Protection Center, University of Science and Technology Beijing (USTB). He got his Ph. D in USTB associated with HongKong University of Science and Technology in 2000. After that, he worked in National Institute of Materials Japan as JSPA fellowship. Dr. Su has published ~150 journal papers, journal including Nano Lett., Sci Rep, Appl Phys Lett, and Acta Mater.. His research interests are material physics and chemistry include (1) computer simulations, including DFT, MD and EF; (2) nanomechanical characterization in nanomaterials; (3) deformation and fracture under mechanical load/chemical environment; (4) materials informatics, including material database, and materials dada science.