4-20. Data standards and database construction in the eco-system of materials data

Haiqing Yin¹, Lina Cui², Leijiang Yao³, Yong Zhou⁴, Xiaoyan Song⁵, Hongmei Zhang⁶, Ning Chen¹, Xue Jiang¹

1. University of Science and Technology Beijing; 2. Institute of Metal Research, Chinese Academy of Sciences;

3. Northwestern Polytechnical University; 4. Institute of Chemistry, Chinese Academy of Sciences; 5. Beijing University of Technology; 6. Beijing Institute of Technology

Abstract: The development of computers, software, and information technology has promoted the progress of development in the data age. Data is the foundation for the development of the data age and has received widespread attention as a new type of wealth in the data age. Due to the long materials life cycle, the research scale across quantum to macro, and the evolution of time and time, the collection and accumulation of diverse material data is a complex system engineering, whether international or domestic. Under the support of the “13th Five-Year” National Key R&D Program project, the construction of the materials database standards and specifications that meets the requirements of material genome engineering provides methodological guidance for the construction of experimental and computational data curation templates for typical material types. At present, the data curation templates of nickel-based superalloys, battery materials, rare earth materials, catalytic materials, light alloys, composite materials, etc. have been established for data collection and description under the General Rules for MGE Data. The expert evaluation and demonstration has been launched, ensuring the storage of high-quality data and the protection of intellectual property rights. At the same time, the lexical standards for material data retrieval for several types of materials are also under construction. Based on the above-mentioned standardized specifications, the database construction of high-temperature alloys, battery materials, rare earth materials, catalytic materials, light alloys, composite materials and other materials based on MGE ideas is on-going. The material composition and raw materials (preparation method and performance), detailed parameters of the preparation process, microstructure, performance data and its characterization methods and parameters, data sources, data DOI are collected as significant features of integral MGE data sets.

Keywords: Material data ecosystem; Material genome engineering; Data standardized specifications; Data curation; Database

材料数据生态系统中的数据标准与材料数据库建设

尹海清¹，崔丽娜²，姚磊江³，周勇⁴，宋晓艳⁵，张洪梅⁶，陈宁¹，姜雪¹

1. 北京科技大学；2. 中国科学院金属研究所；3. 西北工业大学；4. 中国科学院化学研究所；5. 北京工业大学；6. 北京理工大学

摘要：计算机及其软件、信息技术的发展推动了时代的进步和数据时代的发展步伐，而数据是数据时代发展的基础，并作为数据时代的一种新型财富而受到普遍重视。材料科学与工程领域数据，由于材料的全生命周期发展过程长、知识尺度涉及从量子到宏观尺度，以及随时间发展不断演化等类型多样、高维、复杂的特点，并随着对材料数据需求不断提升，无论在国际还是国内，材料数据采集、积累以其材料数据库的构建都是一项复杂的系统工程。在“十三五”国家重点研发计划项目课题支持下，满足材料基因工程需求的普适性数据库标准规范的建设，为典型材料类型的实验与计算数据汇交模板的建设提供了方法论的指导，目前已经形成了镍基高温合金、电池材料、稀土材料、催化材料、轻合金、复合材料等几类材料的满足《材料基因工程数据结构通则》的数据采集与描述的标准数据汇交模板，经专家评估论证并已上线，保证了高质量数据的入库和知识产权的保护。同时，几类材料专属的材料基因工程的材料数据检索词汇标准也在建设中。基于上述的标准规范的数据汇交工作同时开展，基于材料基因工程思想的高温合金、电池材料、稀土材料、催化材料、轻合金、复合材料等材料的数据库建设也初具规模，材料成分、原料（制备方法及性能）、制备工艺的详尽参数数据、微观组织、性能数据及其表征方法与参数、数据来源、数据DOI标识等数据的采集与汇交，构成了材料基因工程数据集的显著特点。

关键词：材料数据生态系统；材料基因工程；数据标准规范；数据汇交；数据库