Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

Philosophical Magazine

Volumn 90, Issue 19, 2010, Pages 2585-2595

  Djurabekova, F ^a,b   Malerba, L ^a   Pasianot, R C ^c,d   Olsson, P ^e   Nordlund, K ^d  

^a BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

^b UNIVERSITY OF HELSINKI   (Finland)

^c DEPARTAMENTO DE FÍSICA   (Argentina)

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

^e EDF R AND D   (France)

Author keywords

Di vacancy; Diffusion; Kinetic Monte Carlo; Metals; Vacancy cluster

Indexed keywords

DENSITY FUNCTIONAL THEORY METHODS; DI-VACANCY; ENERGY DIFFERENCES; INTERATOMIC POTENTIAL; LOCAL EQUILIBRIUM; MATERIALS MODELING; MICRO-STRUCTURAL; MIGRATION MECHANISMS; MONTE CARLO MODEL; VACANCY CLUSTER; VACANCY DIFFUSION; VACANCY MIGRATION;

DENSITY FUNCTIONAL THEORY; HEURISTIC METHODS; MONTE CARLO METHODS; RADIATION DAMAGE; THERMODYNAMICS;

ACTIVATION ENERGY;

EID: 77952970744     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786431003662515     Document Type: Article

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