Fitting interatomic potentials consistent with thermodynamics: Fe, Cu, Ni and their alloys

Philosophical Magazine

Volumn 89, Issue 34-36, 2009, Pages 3451-3464

  Bonny, G ^a,b   Pasianot, R C ^c,d,e   Malerba, L ^a  

^a BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

^b GHENT UNIVERSITY   (Belgium)

^c DEPARTAMENTO DE FÍSICA   (Argentina)

^d Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^e UNIVERSIDAD NACIONAL DE SAN MARTÍN   (Argentina)

Author keywords

Atomistic simulation; Fitting techniques; Interatomic potential; Phase diagrams; Thermodynamics

Indexed keywords

ATOMISTIC METHODS; ATOMISTIC SIMULATIONS; CLUSTER VARIATION METHODS; COMPLEMENTARY METHODS; COMPUTATIONAL MATERIALS SCIENCE; FINITE TEMPERATURES; FITTING TECHNIQUES; INTERATOMIC POTENTIAL; MATERIAL PROPERTY;

ALLOYS; CERIUM ALLOYS; COPPER ALLOYS; NICKEL; PHASE DIAGRAMS; THERMODYNAMIC PROPERTIES;

IRON ALLOYS;

EID: 72049126592     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430903299337     Document Type: Article

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