Modeling topologically close-packed phases in superalloys: Valence-dependent bond-order potentials based on ab-initio calculations

Proceedings of the International Symposium on Superalloys

Volumn , Issue , 2008, Pages 847-853

  Hammerschmidt, T ^a   Seiser, B ^a   Drautz, R ^a   Pettifor, D G ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Bond order potential; Re W; Topologically close packed phase

Indexed keywords

ALLOYING ELEMENTS; CALCULATIONS; COARSENING; CREEP; CREEP RESISTANCE; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; ELECTRONIC DENSITY OF STATES; PRECIPITATION (CHEMICAL); QUANTUM CHEMISTRY; REFRACTORY ALLOYS; REFRACTORY METALS; STRUCTURAL METALS; SUPERALLOYS; THERMODYNAMIC STABILITY; TOPOLOGY;

AB INITIO CALCULATIONS; BOND-ORDER POTENTIAL; INTERATOMIC POTENTIAL; NI-BASED SUPERALLOYS; SECOND MOMENT APPROXIMATIONS; TOPOLOGICALLY CLOSE PACKED PHASE; TOPOLOGICALLY CLOSE-PACKED PHASIS; TRANSITION METAL ELEMENTS;

NICKEL ALLOYS;

EID: 60349117960     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.7449/2008/superalloys_2008_847_853     Document Type: Conference Paper

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