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

Shi Siqi^{1, 2, †,}, Gao Jian², Liu Yue^{3, ‡,}, Zhao Yan¹, Wu Qu¹, Ju Wangwei³, Ouyang Chuying^{4, §,}, Xiao Ruijuan^{5, ¶,}

Phase separation of a 500 nm particle of Li_0.5FePO₄into Li-rich (black) and Li-poor phases (white) at zero current in ACR simulations, compared withex-situexperimental images. (a) Coherent phase separation with [101] interfaces. (b) Semicoherent phase separation, consistent with observed {100} microcracks.^[96]