[1]李波 杜勇 邱联昌 张伟彬 庞梦德 刘树红 李凯 彭英彪 周鹏 郑洲顺 宋旼 H. Seifert.浅谈集成计算材料工程和材料基因工程:思想及实践 [J].中国材料进展,2018,(07):011-15.
 LI Bo DU Yong QIU Lianchang ZHANG Weibin PANG Mengde LIU Shuhong LI Kai PENG Yingbiao ZHOU Peng ZHENG Zhoushun SONG Min H. Seifert.Shallow Talk about Integrated Computational Materials Engineering and Materials Genome Initiative:Ideas and Practice[J].MATERIALS CHINA,2018,(07):011-15.
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浅谈集成计算材料工程和材料基因工程:思想及实践
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中国材料进展[ISSN:1674-3962/CN:61-1473/TG]

卷:
期数:
2018年第07期
页码:
011-15
栏目:
前沿综述
出版日期:
2018-07-31

文章信息/Info

Title:
Shallow Talk about Integrated Computational Materials Engineering and Materials Genome Initiative:Ideas and Practice
作者:
李波12 杜勇1 邱联昌1 张伟彬1 庞梦德1 刘树红1 李凯1 彭英彪3 周鹏4 郑洲顺5 宋旼1 H. Seifert6
(1. 中南大学 粉末冶金国家重点实验室,湖南 长沙410083)
(2. 三峡大学机械与动力学院,湖北 宜昌443002)
(3. 湖南工业大学冶金与材料工程学院,湖南 株洲 412007)
(4. 湖南科技大学材料科学与工程学院,湖南 湘潭 411201)
(5. 中南大学数学与统计学院,湖南 长沙410083)
(6. 卡尔斯鲁厄理工学院 应用材料-应用材料物理研究所, 76344, 德国)
Author(s):
LI Bo12 DU Yong1 QIU Lianchang1 ZHANG Weibin1 PANG Mengde1 LIU Shuhong1 LI Kai1 PENG Yingbiao3 ZHOU Peng4 ZHENG Zhoushun5 SONG Min1 H. Seifert6
 (1 State Key Laboratory of Powder Metallurgy, Central South University)(2 College of Mechanical and Power Engineering, China Three Gorges University)(3 College of Metallurgy and Materials Engineering, Hunan University of Technology)(4 School of Materials Science and Engineering, Hunan University of Science and Technology)(5 School of Mathematics and Statistics, Central South University)(6 Institute for Applied Materials-Applied Materials Physics, Karlsruhe Institute of Technology)
关键词:
集成计算材料工程材料基因工程相图热力学计算高通量机器学习
Keywords:
integrated computational materials engineering materials genome initiativephase diagram thermodynamics high-throughput machine learning
文献标志码:
A
摘要:
革新材料研发模式、加速材料研发进程并降低材料研发成本是世界各国共同关注的热点。集成计算材料工程和材料基因工程是近年来材料科学与工程领域新颖的理念和方法,二者均为新材料研究与开发带来了全新的认识与机遇。集成计算材料工程是材料基因工程的基本组成元素。材料基因工程主要包括高通量实验、高通量计算和材料数据库三大要素。材料基因工程将集成计算材料工程的理念扩展到了整个材料科学、技术与工程链条,贯穿于从新材料发现到应用的全部过程。作为新材料研发的新理念新模式,集成计算材料工程和材料基因工程必将为新材料研发起到不可替代的作用。本文简要回顾了材料研究的发展历程及存在的主要问题,详细介绍了材料基因工程与集成计算材料工程之间内在联系与区别。通过4个应用实例(梯度硬质合金、CVD耐磨涂层、锂离子电池、铝合金),展示了集成计算材料工程和材料基因工程在材料研发中的强大功能,为材料设计和开发提供了新模式新方法。本文还展望了集成计算材料工程和材料基因工程未来发展的重点及趋势。
Abstract:
Innovating the R&D model of materials, accelerating the material R&D process, and reducing the R&D cost of materials are common concerns of countries around the world. Integrated computational materials engineering (ICME) and materials genetic initiative (MGI) are novel ideas and methods in the field of materials science and engineering in recent years, both of which bring new insights and opportunities for research and development of new materials. ICME is a fundamental component of MGI. Material genetic engineering includes three major elements: high-throughput experiments, high-throughput calculations, and material databases. Material genetic engineering extends the concept of ICME to the entire material science, technology, and engineering chain, and extends throughout the entire process from discovery of new materials to application. As a new concept and new model for the research and development of new materials, ICME and MGI will certainly play an irreplaceable role in the development of new materials. This article briefly reviews the development history and major problems of materials research, and details the intrinsic connections and differences between MGI and ICME. Through four application examples (gradient cemented carbide, CVD hard-coating, lithium-ion battery, aluminum alloy), the powerful functions of ICME and MGI in material development are demonstrated, providing materials design and development new modes and new methods. At the same time, the key points and trends in the future development of integrated computing materials engineering and material genetic engineering are also anticipated.
更新日期/Last Update: 2018-06-28