Multi-scale computation methods: Their applications in lithium-ion battery research and development
Shi Siqi1, 2, †, , Gao Jian2, Liu Yue3, ‡, , Zhao Yan1, Wu Qu1, Ju Wangwei3, Ouyang Chuying4, §, , Xiao Ruijuan5, ¶,
       

Phase separation of a 500 nm particle of Li0.5FePO4into 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]