Early stage oxidation of Ni-Cr binary alloy (111), (110) and (100) surfaces: A combined density functional and quantum chemical molecular dynamics study

Corrosion Science

Volumn 73, Issue , 2013, Pages 18-31

  Das, Nishith Kumar ^a   Shoji, Tetsuo ^b  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

A. Alloy; B. Modelling studies; C. Interfaces; C. Oxidation; C. Stress corrosion

Indexed keywords

ADSORPTION ENERGIES; CHEMISORPTION ENERGY; DENSITY FUNCTIONALS; EARLY STAGE OXIDATIONS; MODELLING STUDIES; QUANTUM CHEMICAL MOLECULAR DYNAMICS; STRESS CORROSION; TIGHT-BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS; OXIDATION; OXYGEN; QUANTUM CHEMISTRY; STRESS CORROSION CRACKING;

NICKEL;

EID: 84878355601     PISSN: 0010938X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.corsci.2013.03.020     Document Type: Article

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