Semi-empirical atomistic study of point defect properties in BCC transition metals

Computational Materials Science

Volumn 47, Issue 1, 2009, Pages 135-145

  Olsson, Pär A T ^a  

^a LUND UNIVERSITY   (Sweden)

Author keywords

BCC transition metals; EAM; Self interstitials; Vacancies

Indexed keywords

AB INITIO; ATOMISTIC STUDIES; BCC TRANSITION METAL; BCC TRANSITION METALS; COHESIVE ENERGIES; DIVACANCIES; EAM; EMBEDDED-ATOM METHOD POTENTIALS; ENERGY LEVEL; EXPERIMENTAL DATA; FORMATION ENERGIES; INTERSTITIALS; MIGRATION ENERGY; MIGRATION PATH; MONOVACANCIES; NEAREST NEIGHBORS; NUDGED ELASTIC BAND METHODS; PAIR POTENTIAL; PARAMETRIZATIONS; SECOND ORDERS; SECOND-NEAREST-NEIGHBOR; SELF-INTERSTITIAL; SELF-INTERSTITIALS; SEMI-EMPIRICAL; STABLE CONFIGURATION; THIRD ORDER ELASTIC CONSTANTS; VACANCY FORMATION ENERGIES;

ELASTIC CONSTANTS; ELECTROABSORPTION MODULATORS; LATTICE CONSTANTS; LIGHT ABSORPTION; POINT DEFECTS; TANTALUM; TRANSITION METALS; VACANCIES; WEAR RESISTANCE;

ACTIVATION ENERGY;

EID: 70350575172     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.06.025     Document Type: Article

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