A hybrid quantum-classical simulation study on stress-dependence of li diffusivity in graphite

CMES - Computer Modeling in Engineering and Sciences

Volumn 75, Issue 3-4, 2011, Pages 247-264

  Ohba, N ^a,b   Ogata, S ^b   Tamura, T ^b   Yamakawa, S ^a   Asahi, R ^a  

^a Rd Management Section   (Japan)

^b NAGOYA INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Density functional theory; Diffusivity; Hybrid simulation; Li ion; Li graphite intercalation compound; Li ion battery; Stress dependence

Indexed keywords

DIFFUSIVITIES; HYBRID SIMULATION; LI-GRAPHITE INTERCALATION COMPOUND; LI-ION BATTERIES; STRESS DEPENDENCE;

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; GRAPHITE; INTERCALATION; INTERCALATION COMPOUNDS; IONS; STRESSES; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DIFFUSION;

EID: 80052779725     PISSN: 15261492     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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