[1]李波,等.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.[doi:10.7502/j.issn.1674-3962.2018.07.03]
　LI Bo,DU Yong,QIU Lianchang,et al.Shallow Talk about Integrated Computational Materials Engineering and Materials Genome Initiative：Ideas and Practice[J].MATERIALS CHINA,2018,(07):011-15.[doi:10.7502/j.issn.1674-3962.2018.07.03]
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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1;  2; 杜勇1; 邱联昌1; 庞梦德1; 张伟彬3; 刘树红1; 李凯1; 彭英彪4; 周鹏5 ; 郑洲顺6 ; 宋旼1 ; Seifert H3
（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.卡尔斯鲁厄理工学院应用材料研究所, 德国 埃根斯泰因列奥波德港 76344）（4.湖南工业大学冶金与材料工程学院，湖南 株洲 412007）（5.湖南科技大学材料科学与工程学院，湖南 湘潭 411201）（6.中南大学数学与统计学院，湖南 长沙 410083）
Author(s):
LI Bo1; 2;  DU Yong1;  QIU Lianchang1;  PANG Mengde1;  ZHANG Weibin3;  LIU Shuhong1;  LI Kai1;  PENG Yingbiao4;  ZHOU Peng5 ;  ZHENG Zhoushun6;  SONG Min1;  Seifert H3
1.State Key Laboratory of Powder Metallurgy, Central South University；2.College of Mechanical and Power Engineering, China Three Gorges University；3.Institute for Applied MaterialsApplied Materials Physics(IAMAWP), Karlsruhe Institute of Technology(KIT), ；4.College of Metallurgy and Materials Engineering, Hunan University of Technology；5.School of Materials Science and Engineering, Hunan University of Science and Technology；6.School of Mathematics and Statistics, Central South University
关键词:
集成计算材料工程; 材料基因工程; 材料设计; 相图热力学计算; 高通量
Keywords:
integrated computational materials engineering;  materials genome initiative;  materials design;  phase diagram thermodynamics;  highthroughput
DOI:
10.7502/j.issn.1674-3962.2018.07.03
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。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思路。最后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 model of materials R&D, accelerating the process of materials R&D, and reducing the cost of materials R&D are the common concern of all countries in the world. Integrated computational materials engineering (ICME) and materials genome 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. Materials genome initiative includes three major elements: highthroughput experiments, highthroughput calculations, and material databases. Materials genome initiative 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 R&D are demonstrated, which provide new methods for materials design and development. Meanwhile, the key points and trends in the future development of ICME and materials genome initiative are also anticipated.
更新日期/Last Update: 2018-06-28