Stability and instability of long-period superstructures in binary Cu-Pd alloys: A first principles study

Acta Materialia

Volumn 57, Issue 5, 2009, Pages 1660-1665

  Bärthlein, Stefan ^a   Winning, Elke ^a   Hart, Gus L W ^b   Müller, Stefan ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b Brigham Young University   (United States)

Author keywords

Cluster expansion; Copper alloys; Density functional theory; Intermetallic compounds; MC simulation

Indexed keywords

ATOMIC PHYSICS; ATOMS; BINARY ALLOYS; COPPER; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORMS; INTERMETALLICS; METALLIC COMPOUNDS; PALLADIUM; PROGRAMMING THEORY; SEMICONDUCTING INTERMETALLICS; SOLID STATE PHYSICS; TWO DIMENSIONAL;

BINARY INTERMETALLIC COMPOUNDS; CLUSTER EXPANSION; ENERGY METHODS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDIES; GROUND-STATE STRUCTURES; INTERMETALLIC COMPOUNDS; MC-SIMULATION; ONE-DIMENSIONAL; ORDERED STRUCTURES; PD ALLOYS; STABILITY AND INSTABILITIES; SUPERCELL STRUCTURES; THERMODYNAMIC EQUILIBRIUM; TOTAL ENERGY CALCULATIONS;

ALLOYS;

EID: 60249096448     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2008.12.013     Document Type: Article

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