Free-energy based pair-additive potentials for bulk Ni-Al systems: Application to study Ni-Al reactive alloying

Journal of Chemical Physics

Volumn 137, Issue 9, 2012, Pages

  Izvekov, Sergei ^a   Rice, Betsy M ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; BI-LAYER; BORN-OPPENHEIMER; BULK LIQUID; EXPERIMENTAL OBSERVATION; FREE ENERGETICS; FREE ENERGY SURFACE; FUNCTIONAL FORMS; INTERLAYER DIFFUSION; IONIC FORCES; MATERIAL RESPONSE; MD SIMULATION; METALLIC PHASIS; NI ATOMS; PERITECTIC; PIECE-WISE; SELF-PROPAGATING;

COMPUTER SIMULATION; FREE ENERGY; MOLECULAR DYNAMICS; NUMERICAL METHODS; REACTION KINETICS;

ALUMINUM;

EID: 84866121291     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4747546     Document Type: Article

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