Atomistic modeling of an Fe system with a small concentration of C

Computational Materials Science

Volumn 40, Issue 1, 2007, Pages 119-129

  Becquart, C S ^a   Raulot, J M ^b   Bencteux, G ^c   Domain, C ^a,c   Perez, M ^d   Garruchet, S ^d   Nguyen, H ^a  

^a Ecole Nationale Superieure de Chimie de Lille   (France)

^b UNIVERSITÉ PAUL VERLAINE METZ   (France)

^c EDF R AND D   (France)

^d UNIVERSITÉ DE LYON   (France)

Author keywords

Ab initio calculations; FeC alloys; Hetero interstitial diffusion; Interatomic potential; Internal friction; Screw dislocation

Indexed keywords

CARBON; COMPUTER SIMULATION; CONCENTRATION (PROCESS); ENERGY BARRIERS; INTERNAL FRICTION; LATTICE CONSTANTS;

AB INITIO CALCULATIONS; HETERO INTERSTITIAL DIFFUSION; INTERATOMIC POTENTIAL; SCREW DISLOCATION;

IRON ALLOYS;

EID: 34248546284     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.11.005     Document Type: Article

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