First-principles investigation of perfect and diffuse antiphase boundaries in hcp-based ti-al alloys

Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science

Volumn 33, Issue 13, 2002, Pages 735-741

  Van De Walle, A ^a   Asta, M ^a  

^a Northwestern University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIPHASE; ANTIPHASE BOUNDARIES; BOUNDARY ENERGIES; CLUSTER EXPANSION; DEFORMATION MICROSTRUCTURE; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; INTERFACIAL STRESS; LOCAL DISPLACEMENT; MECHANICAL PROPERTY MEASUREMENTS; MONTE CARLO SIMULATION; PRISM PLANES; PROCESSING TEMPERATURE; QUANTUM MECHANICAL; SHORT RANGE ORDERS; SINGLE DISLOCATION; SUPERCELL CALCULATIONS; THERMODYNAMIC MODEL; TIAL ALLOY; TOTAL ENERGY CALCULATION;

ALLOYS; ALUMINUM; CERIUM ALLOYS; COMPUTER SIMULATION; MECHANICAL PROPERTIES; MONTE CARLO METHODS; PHASE INTERFACES; PROCESSING;

TITANIUM ALLOYS;

EID: 0036494620     PISSN: 10735623     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11661-002-1002-8     Document Type: Article

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