Analytic bond-order potential for bcc and fcc iron - Comparison with established embedded-atom method potentials

Journal of Physics Condensed Matter

Volumn 19, Issue 32, 2007, Pages

  Müller, Michael ^a   Erhart, Paul ^a   Albe, Karsten ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; GIBBS FREE ENERGY; IRON; SURFACE DEFECTS; SURFACE DIFFUSION; TEMPERATURE DISTRIBUTION;

DEFECT PROPERTIES; EMBEDDED-ATOM METHOD; FACE-CENTRED CUBIC (FCC) IRON; FIRST-PRINCIPLES CALCULATIONS; PHONON DISPERSIONS;

SURFACE STRUCTURE;

EID: 34547323493     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/32/326220     Document Type: Article

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