First-principles study of site occupancy of dilute 3d, 4d and 5d transition metal solutes in L10 TiAl

Acta Materialia

Volumn 56, Issue 20, 2008, Pages 6224-6231

  Jiang, Chao ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

First principle electron theory; Point defects; Site preference; Titanium aluminides; Transition metals

Indexed keywords

ALLOYING; ALLOYS; ATOMIC PHYSICS; ATOMS; CHEMICAL ANALYSIS; CHROMIUM; COPPER; COPPER ALLOYS; GOLD; HAFNIUM; INTERMETALLICS; IRIDIUM; MANGANESE; MANGANESE COMPOUNDS; MOLYBDENUM; NIOBIUM; OSMIUM; PALLADIUM; PLATINUM; PLATINUM ALLOYS; POINT DEFECTS; RHENIUM; RHODIUM; RUTHENIUM ALLOYS; SILVER; SILVER ALLOYS; SOLID STATE PHYSICS; STOICHIOMETRY; TANTALUM; TECHNETIUM; THREE DIMENSIONAL; TITANIUM; TITANIUM COMPOUNDS; TRANSITION METALS; ZIRCONIUM;

ALLOY COMPOSITIONS; ANISOTROPIC LATTICES; ATOMIC RELAXATIONS; DEFECT ENERGETICS; DFT-GGA; EXPERIMENTAL STUDIES; FIRST-PRINCIPLE ELECTRON THEORY; LATTICE SITES; METAL ELEMENTS; SCHOTTKY; SITE OCCUPANCIES; SITE PREFERENCE; SITE PREFERENCES; SUB LATTICES; TIAL INTERMETALLIC COMPOUNDS; TITANIUM ALUMINIDES;

TITANIUM ALLOYS;

EID: 56149095343     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2008.08.047     Document Type: Article

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