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

被引:19
作者
施思齐 [1 ,2 ]
高健 [2 ]
刘悦 [3 ]
赵彦 [1 ]
武曲 [1 ]
琚王伟 [3 ]
欧阳楚英 [4 ]
肖睿娟 [5 ]
机构
[1] School of Materials Science and Engineering Shanghai University
[2] Materials Genome Institute Shanghai University
[3] School of Computer Engineering and Science Shanghai University
[4] Department of Physics Jiangxi Normal University
[5] Institute of Physics Chinese Academy of Sciences
关键词
multiscale computation; lithium-ion battery; material design;
D O I
暂无
中图分类号
TM912 [蓄电池];
学科分类号
0808 ;
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.
引用
收藏
页码:178 / 201
页数:24
相关论文
共 50 条
[1]   Physics towards next generation Li secondary batteries materials:A short review from computational materials design perspective [J].
OUYANG ChuYing ;
CHEN LiQuan .
Science China(Physics,Mechanics & Astronomy), 2013, (12) :2278-2292
[2]  
Understanding electrode materials of rechargeable lithium batteries via DFT calculations[J]. Tianran Zhang,Daixin Li,Zhanliang Tao,Jun Chen.Progress in Natural Science:Materials International. 2013(03)
[3]   Atomic-Scale Structure Evolution in a Quasi-Equilibrated Electrochemical Process of Electrode Materials for Rechargeable Batteries [J].
Gu, Lin ;
Xiao, Dongdong ;
Hu, Yong-Sheng ;
Li, Hong ;
Ikuhara, Yuichi .
ADVANCED MATERIALS, 2015, 27 (13) :2134-2149
[4]  
A Cahn–Hilliard-type phase-field theory for species diffusion coupled with large elastic deformations: Application to phase-separating Li-ion electrode materials[J] . Claudio V. Di Leo,Elisha Rejovitzky,Lallit Anand.Journal of the Mechanics and Physics of Solids . 2014
[5]  
Critical review of the methods for monitoring of lithium-ion batteries in electric and hybrid vehicles[J] . Wladislaw Waag,Christian Fleischer,Dirk Uwe Sauer.Journal of Power Sources . 2014
[6]  
Phase field modeling of stress-induced tetragonal-to-monoclinic transformation in zirconia and its effect on transformation toughening[J] . Mahmood Mamivand,Mohsen Asle Zaeem,Haitham El Kadiri.Acta Materialia . 2014
[7]  
Size‐Dependent Staging and Phase Transition in LiFePO<sub>4</sub>/FePO<sub>4</sub>[J] . Changbao Zhu,Lin Gu,Liumin Suo,Jelena Popovic,Hong Li,Yuichi Ikuhara,Joachim Maier.Adv. Funct. Mater. . 2014 (3)
[8]  
Estimation of the state of charge for a LFP battery using a hybrid method that combines a RBF neural network, an OLS algorithm and AGA[J] . Wen-Yeau Chang.International Journal of Electrical Power and Energy Systems . 2013
[9]   Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms [J].
Fujimura, Koji ;
Seko, Atsuto ;
Koyama, Yukinori ;
Kuwabara, Akihide ;
Kishida, Ippei ;
Shitara, Kazuki ;
Fisher, Craig A. J. ;
Moriwake, Hiroki ;
Tanaka, Isao .
ADVANCED ENERGY MATERIALS, 2013, 3 (08) :980-985
[10]  
Heterogeneous behaviour of the lithium battery composite electrode LiFePO 4[J] . Guy Ouvrard,Miloud Zerrouki,Patrick Soudan,Bernard Lestriez,Christian Masquelier,Mathieu Morcrette,Stéphane Hamelet,Stéphanie Belin,Anne Marie Flank,Fran?ois Baudelet.Journal of Power Sources . 2013