期刊
ACTA MATERIALIA
卷 98, 期 -, 页码 229-241出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2015.07.036
关键词
Chemo-mechanical processes; Electro-mechanical processes; Elastic-viscoplastic material; Diffusion; Bulk
资金
- U.S. Department of Energy through DOE EPSCoR Implementation Grant [DE-SC0007074]
- General Motors through the Brown/GM Collaborative Research Laboratory for Computational Materials Research
Recent experiments and atomic scale computations indicate that the standard continuum models of diffusion in stressed solids do not accurately describe transport, deformation and stress in Li-Si alloys. We suggest that this is because classical models do not account for the irreversible changes in atomic structure of Si that are known to occur during a charge discharge cycle. A more general model of diffusion in an amorphous solid is described, which permits unoccupied Si lattice sites to be created or destroyed. This may occur as a thermally activated process; or as a result of irreversible plastic deformation under stress. The model predicts a range of phenomena observed in experiment that cannot be captured using classical models, including irreversible changes in volume resulting from a charge discharge cycle, asymmetry between the tensile and compressive yield stress, and a slow evolution in mechanical and electrochemical response over many charge discharge cycles. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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