中国物理B ›› 2016, Vol. 25 ›› Issue (1): 18212-018212.doi: 10.1088/1674-1056/25/1/018212

所属专题: TOPICAL REVIEW — Fundamental physics research in lithium batteries

• TOPICAL REVIEW—Fundamental physics research in lithium batteries • 上一篇    下一篇

Multi-scale computation methods: Their applications in lithium-ion battery research and development

Siqi Shi(施思齐), Jian Gao(高健), Yue Liu(刘悦), Yan Zhao(赵彦), Qu Wu(武曲), Wangwei Ju(琚王伟), Chuying Ouyang(欧阳楚英), Ruijuan Xiao(肖睿娟)   

  1. 1. School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;
    2. Materials Genome Institute, Shanghai University, Shanghai 200444, China;
    3. School of Computer Engineering and Science, Shanghai University, Shanghai 200444, China;
    4. Department of Physics, Jiangxi Normal University, Nanchang 330022, China;
    5. Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 收稿日期:2015-11-05 出版日期:2016-01-05 发布日期:2016-01-05
  • 通讯作者: Siqi Shi, Yue Liu, Chuying Ouyang, Ruijuan Xiao E-mail:sqshi@shu.edu.cn;yliu@staff.shu.edu.cn;cyouyang@hotmail.com;rjxiao@aphy.iphy.ac.cn
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 51372228 and 11234013), the National High Technology Research and Development Program of China (Grant No. 2015AA034201), and Shanghai Pujiang Program, China (Grant No. 14PJ1403900).

Multi-scale computation methods: Their applications in lithium-ion battery research and development

Siqi Shi(施思齐)1,2, Jian Gao(高健)2, Yue Liu(刘悦)3, Yan Zhao(赵彦)1, Qu Wu(武曲)1, Wangwei Ju(琚王伟)3, Chuying Ouyang(欧阳楚英)4, Ruijuan Xiao(肖睿娟)5   

  1. 1. School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China;
    2. Materials Genome Institute, Shanghai University, Shanghai 200444, China;
    3. School of Computer Engineering and Science, Shanghai University, Shanghai 200444, China;
    4. Department of Physics, Jiangxi Normal University, Nanchang 330022, China;
    5. Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • Received:2015-11-05 Online:2016-01-05 Published:2016-01-05
  • Contact: Siqi Shi, Yue Liu, Chuying Ouyang, Ruijuan Xiao E-mail:sqshi@shu.edu.cn;yliu@staff.shu.edu.cn;cyouyang@hotmail.com;rjxiao@aphy.iphy.ac.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 51372228 and 11234013), the National High Technology Research and Development Program of China (Grant No. 2015AA034201), and Shanghai Pujiang Program, China (Grant No. 14PJ1403900).

摘要:

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales.

关键词: multiscale computation, lithium-ion battery, material design

Abstract:

Based upon advances in theoretical algorithms, modeling and simulations, and computer technologies, the rational design of materials, cells, devices, and packs in the field of lithium-ion batteries is being realized incrementally and will at some point trigger a paradigm revolution by combining calculations and experiments linked by a big shared database, enabling accelerated development of the whole industrial chain. Theory and multi-scale modeling and simulation, as supplements to experimental efforts, can help greatly to close some of the current experimental and technological gaps, as well as predict path-independent properties and help to fundamentally understand path-independent performance in multiple spatial and temporal scales.

Key words: multiscale computation, lithium-ion battery, material design

中图分类号:  (Lithium-ion batteries)

  • 82.47.Aa
47.11.St (Multi-scale methods) 46.25.Cc (Theoretical studies)