材料数据对于国家安全、工程服役安全、科技创新、智能制造等方面的重要性在数据时代越来越彰显出来,在2011 年美国提出的具有变革意义的材料基因组计划中,材料数据与材料计算模拟、材料实验表征一起,为材料发展全流程研究的三大基本工具,使材料研究者与生产管理者进一步充分认识材料数据对加速材料研发进程的推动作用。材料数据具有多样、获取过程复杂、数据间关联关系复杂、知识产权性强等特点,使数据的收集、存储、共享和应用更加复杂。本文就大数据时代下的材料数据的特点、分类、材料数据库的国内外现状对比、中国发展材料数据库与材料数据科学的意义、今后主要发展方向以及存在的问题等方面进行系统分析,提出建设国家材料数据研发与服务公共平台,加大材料数据的收集整合力度,构建国家民用材料数据库与军用材料数据库,开展材料数据及材料数据库相关标准规范建设、定制性专题数据库服务、数据推送服务,同时开展材料信息学、材料数据学等方面的研究,开创并构建材料数据科学这一材料领域新学科。
Materials data play an increasingly vital role in national security, performance safety, scientific and technological innovation and smart manufacturing in the age of information technology. In 2011, the Materials Genome Initiative (MGI) was launched in the US, of which materials data together with materials computation and materials experimentation and characterization consist of the three tools for accelerating the materials development continuum and reducing the cost. Both the researchers and production managers come to realize the significant role materials data play. The attributes of materials data, such as variety, complex interrelationship, acquiring process as well as the intellectual property issues, drive the process of collection, storage and application ever more complicated. In this paper, the characteristics, classification and status quo of materials data are described. The strategies and obstacles are systematically analyzed for materials data development and database construction. A national platform of materials data for research and public service, a materials data hub in China, is essential and urgently required for MGI implementation. Four aspects are emphasized, that is, materials data repository, infrastructure and cloud service, data mining and international collaboration. The materials data repositories for civil and military uses will be constructed. On the platform, the standards are crucial for materials data and database and big data application, which need to be set up first. The customized database and data push will bring great benefit for materials database users. Materials data science will definitely become a brand new subject in materials science, including materials informatics and materials dataology.
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