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タイトル: Elastically constrained phase-separation dynamics competing with the charge process in the LiFePO4/FePO4 system
著者: Ichitsubo, Tetsu
Tokuda, Kazuya
Yagi, Shunsuke
Kawamori, Makoto
Kawaguchi, Tomoya
Doi, Takayuki
Oishi, Masatsugu
Matsubara, Eiichiro
著者名の別形: 市坪, 哲
発行日: Jan-2013
出版者: Royal Society of Chemistry
誌名: Journal of Materials Chemistry A
巻: 1
号: 7
開始ページ: 2567
終了ページ: 2577
抄録: By using phase-field computer simulations, we have investigated the effects of the coherent strain due to the phase separation in the olivine-type LiFePO[4]. In this system, the coherent elastic-strain energy due to the lattice mismatch between LiFePO[4] and FePO[4] phases accompanied by insertion and extraction of Li ions is considered to play a crucial role in the phase separation kinetics during the charge/discharge process. The present phase-field micromechanics simulations reveal several significant features of the LiFePO[4]/FePO[4] system accompanying the coherent strain, such as the retardation of the phase separation, the charge rate dependence, the thermodynamic stability of coherent interfaces between dual phases, etc. Nucleation of the new phase is found to be fundamentally unlikely in terms of the elastic strain energy, except in the vicinity of the surface of the particles, and thus the phase separation would be dominated by the spinodal decomposition process. When the nucleus is present precedently, however, the phase separation can proceed in the mixture mode of the domino cascade and spinodal decomposition processes.
著作権等: This journal is © The Royal Society of Chemistry 2013.
この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
This is not the published version. Please cite only the published version.
URI: http://hdl.handle.net/2433/189829
DOI(出版社版): 10.1039/c2ta01102f
出現コレクション:学術雑誌掲載論文等

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