First-principles study of oxygen incorporation and migration mechanisms in Ti2AlC

Journal of Materials Research

Volumn 24, Issue 10, 2009, Pages 3190-3196

  Liao, Ting ^a,b   Wang, Jingyang ^a   Li, Meishuan ^a   Zhou, Yanchun ^a  

^a INSTITUTE OF METAL RESEARCH   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC LAYER; CARBON LATTICES; CARBON VACANCY; DENSITY-FUNCTIONAL CALCULATIONS; FIRST-PRINCIPLES STUDY; HIGH TEMPERATURE; INTERSTITIAL OXYGEN; INTERSTITIAL SITES; LEAN CONDITION; LOW TEMPERATURES; MIGRATION ENERGY; MIGRATION MECHANISMS; OXIDE SCALE; OXYGEN ATOM; OXYGEN DEFECT; OXYGEN INCORPORATION; OXYGEN-RICH ATMOSPHERES; RELATIVE STABILITIES; THERMAL EQUILIBRIUMS;

ALUMINA; CHEMICAL ELEMENTS; DIFFUSION; DISSOLUTION; DISSOLVED OXYGEN; SCALE (DEPOSITS); THERMODYNAMIC STABILITY; THERMODYNAMICS; WAVE FUNCTIONS;

OXYGEN VACANCIES;

EID: 70350440690     PISSN: 08842914     EISSN: None     Source Type: Journal    
DOI: 10.1557/jmr.2009.0377     Document Type: Article

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