Molecular dynamics potentials in magnetite (Fe3O4) modeling

Computational Materials Science

Volumn 50, Issue 12, 2011, Pages 3271-3281

  Soontrapa, C ^a   Chen, Y ^a  

^a University of Nevada Las Vegas   (United States)

Author keywords

Magnetite; Molecular dynamics; Oxidation modeling; Oxide formation

Indexed keywords

ACTUAL EXPERIMENTS; FRACTIONAL CHARGES; IRON IONS; IRON OXIDATION; MAGNETITE FORMATION; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR-DYNAMICS POTENTIAL; OXIDATION STATE; OXIDE FORMATION;

COMPUTER SIMULATION; IRON; IRON ORES; MAGNETITE; METAL IONS; OXIDATION;

MOLECULAR DYNAMICS;

EID: 80052035784     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.06.007     Document Type: Article

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