Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order–disorder transitions in Li<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si5.svg" display="inline" id="d1e1104"><mml:msub><mml:mrow/><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math>CoO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.svg" display="inline" id="d1e1112"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>-Reference-Cited by-同舟云学术

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Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order–disorder transitions in LixCoO2

Published:2024-09 Issue: Volume:190 Page:105726
ISSN:0022-5096
Container-title:Journal of the Mechanics and Physics of Solids
language:en
Short-container-title:Journal of the Mechanics and Physics of Solids

Author:

Shojaei M. Faghih,Holber J.,Das S.,Teichert G.H.,Mueller T.,Hung L.,Gavini V.,Garikipati K.^ORCID

Funder

Defense Advanced Research Projects Agency

Army Research Office

Toyota Research Institute

National Science Foundation

Publisher

Elsevier BV

Reference73 articles.

1. Thermodynamic modeling of the LiCoO2–CoO2 pseudo-binary system;Abe;CALPHAD,2011

2. A microscopic theory for antiphase boundary motion and its application to antiphase boundary coarsening;Allen;Acta Metall.,1979

3. CoO2, the end member of the Li x CoO2 solid solution;Amatucci;J. Electrochem. Soc.,1996

4. CoO2, the end member of the LixCoO2 solid solution;Amatucci;J. Electrochem. Soc.,1996

5. Band theory and Mott insulators: Hubbard U instead of Stoner I;Anisimov;Phys. Rev. B,1991

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