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Chinese Physics B
Chin. Phys. B, 2016, Vol. 25(1): 018212    DOI: 10.1088/1674-1056/25/1/018212
Special Issue: TOPICAL REVIEW — Fundamental physics research in lithium batteries
TOPICAL REVIEW—Fundamental physics research in lithium batteries Prev   Next  

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. 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
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.
Keywords:  multiscale computation      lithium-ion battery      material design  
Received:  05 November 2015      Accepted manuscript online: 
PACS:  82.47.Aa (Lithium-ion batteries)  
  47.11.St (Multi-scale methods)  
  46.25.Cc (Theoretical studies)  
Fund: 

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).
Corresponding Authors:  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

Cite this article: 

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) Multi-scale computation methods: Their applications in lithium-ion battery research and development 2016 Chin. Phys. B 25 018212

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[12] Electrochemical properties of SnO2 nanorods as anode materials in lithium-ion battery
Shi Song-Lin(施松林), Liu Yong-Gang(刘永刚), Zhang Jing-Yuan(张敬源), and Wang Tai-Hong(王太宏). Chin. Phys. B, 2009, 18(10): 4564-4570.
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