Molecular dynamics simulation of diffusion in a (110) B2-NiAl film

Intermetallics

Volumn 19, Issue 7, 2011, Pages 848-854

  Evteev, Alexander V ^a   Levchenko, Elena V ^a   Belova, Irina V ^a   Murch, Graeme E ^a  

^a UNIVERSITY OF NEWCASTLE   (Australia)

Author keywords

A. Nickel aluminides, based on NiAl; B. Diffusion; D. Defects: point defects; E. Simulations, atomistic

Indexed keywords

ANTISITES; ATOMIC DIFFUSIONS; B. DIFFUSION; D. DEFECTS: POINT DEFECTS; DEFECT COMPLEX; DEFECT CONCENTRATIONS; DEFECT DIFFUSION; DIFFUSION MECHANISMS; DIRECT MOLECULAR DYNAMICS; E. SIMULATIONS , ATOMISTIC; EMBEDDED-ATOM METHOD POTENTIALS; EQUILIBRIUM POINT; FREE SURFACES; MELTING TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; NEAREST-NEIGHBORS; NI ATOMS; NICKEL ALUMINIDES , BASED ON NIAL; PERIODIC BOUNDARY CONDITIONS; STOICHIOMETRIC COMPOSITIONS; TWO DIRECTIONS; VACANCY COMPLEXES;

ALUMINUM; ATOMS; COMPLEXATION; COMPUTER SIMULATION; CRYSTALLOGRAPHY; DEFECTS; DIFFUSION; DYNAMICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; POINT DEFECTS;

VACANCIES;

EID: 79955534226     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2011.01.010     Document Type: Article

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