Embedded-atom potential for Fe and its application to self-diffusion on Fe(1 0 0)

Surface Science

Volumn 600, Issue 9, 2006, Pages 1793-1803

  Chamati, H ^a   Papanicolaou, N I ^b   Mishin, Y ^c   Papaconstantopoulos, D A ^c,d  

^a INSTITUTE OF SOLID STATE PHYSICS   (Bulgaria)

^b UNIVERSITY OF IOANNINA   (Greece)

^c George Mason University   (United States)

^d NAVAL RESEARCH LABORATORY   (United States)

Author keywords

Adatom diffusion; Computer modeling; First principles calculations; Interatomic potential; Iron

Indexed keywords

EMBEDDED SYSTEMS; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHONONS; POINT DEFECTS; THERMAL EXPANSION;

ADATOM DIFFUSION; FIRST-PRINCIPLES CALCULATIONS; INTERATOMIC POTENTIAL;

IRON;

EID: 33646123764     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.02.010     Document Type: Article

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