@inproceedings{c247b9b063c045e9a273862a16db6f3a,
title = "Phase transformations and fracture of battery materials",
abstract = "Although LiFePO4 has advantageous properties for electrical energy storage, it can lose some of its charging capacity when cycled. It has been suggested that crack formation is the main cause of the capacity loss. We shall discuss a multi-physics computational model to investigate the possible causes of fracture in single LiFePO4 particles. The model combines the recently developed reaction-limited phase-field model for Li-ion intercalation with a phase-field model for brittle fracture. We use our numerical model to simulate single LiFePO4 cathode particles during galvanostatic discharging as well as under no charging. It was found that because of the phase transformation and two-phase coexistence of LiFePO4, cracks grow due to large stresses at coherent phase boundaries. Phase nucleation at particle side facets was also examined and we show that pre-cracks grow that follow the high stresses at the coherent interface during charging.",
author = "O'Connor, {Devin T.} and Welland, {Michael J.} and Liu, {Wing Kam} and Voorhees, {Peter W.}",
note = "Funding Information: We gratefully acknowledge the computing resources provided on Blues, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. DT O{\textquoteright} Connor would like acknowledge the National Physical Sciences Consortium and Argonne National Laboratory for their partial support. Part of the work at Argonne by M J Welland was funded by the Department of Energy, Office of Science, Division of Materials Science and Engineering. Funding Information: We gratefully acknowledge the computing resources provided on Blues, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. DT O' Connor would like acknowledge the National Physical Sciences Consortium and Argonne National Laboratory for their partial support. Part of the work at Argonne by M J Welland was funded by the Department of Energy, Office of Science, Division of Materials Science and Engineering. Publisher Copyright: {\textcopyright} 2017 ICF 2017 - 14th International Conference on Fracture. All rights reserved.; 14th International Conference on Fracture, ICF 2017 ; Conference date: 18-06-2017 Through 20-06-2017",
year = "2017",
language = "English (US)",
series = "ICF 2017 - 14th International Conference on Fracture",
publisher = "International Conference on Fracture",
pages = "924--925",
editor = "Gdoutos, {Emmanuel E.}",
booktitle = "ICF 2017 - 14th International Conference on Fracture",
}