Journal
SCRIPTA MATERIALIA
Volume 183, Issue -, Pages 45-49Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2020.03.027
Keywords
Grain boundary; Fragmentation; Ion transport; NMC particles; Crack propagation
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Although the unique mechanical and transport features of grain boundaries (GBs) in polycrystalline ion conductors have been recognized, the understanding of the chemo-mechanical interplay and its impact is insufficient. We present a coupled GB model which includes both the damage-dependent across-grain transport and a mechanical cohesive zone law. 3D simulations on LiNixMnyCozO2 demonstrate that the chemical process and the mechanical degradation go hand-in-hand: the enhanced intergranular chemical inhomogeneity challenges the GB mechanical strength, while the GB damage influences or even blocks the across-grain transport. Results explain well the experimentally observed features including chemical hot spots and surface layer delamination. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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