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

Siqi ShiMaterials Genome Institute, Shanghai University, Shanghai 200444, ChinaJian GaoMaterials Genome Institute, Shanghai University, Shanghai 200444, ChinaYue LiuSchool of Computer Engineering and Science, Shanghai University, Shanghai 200444, ChinaHuaming LiSchool of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaWu QuSchool of Materials Science and Engineering, Shanghai University, Shanghai 200444, ChinaWangwei JuSchool of Computer Engineering and Science, Shanghai University, Shanghai 200444, ChinaChuying OuyangDepartment of Physics, Jiangxi Normal University, Nanchang 330022, ChinaRuijuan XiaoInstitute of Physics, Chinese Academy of Sciences, Beijing 100190, China
2016en
ABI

Аннотация

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.

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