Orbital-free density functional theory simulations of dislocations in aluminum

Philosophical Magazine

Volumn 89, Issue 34-36, 2009, Pages 3195-3213

  Shin, Ilgyou ^a   Ramasubramaniam, Ashwin ^b   Huang, Chen ^c   Hung, Linda ^b   Carter, Emily A ^b,d  

^a Department of Chemistry ^*

^b Program in Applied and Computational Mathematics   (United States)

^c PRINCETON UNIVERSITY   (United States)

^d Princeton University   (United States)

Author keywords

Aluminum; Computer simulation; Defects in solids; Density functional theory; Dislocations

Indexed keywords

CORE STRUCTURE; DEFECTS IN SOLIDS; EDGE DISLOCATION; KINETIC ENERGY DENSITY FUNCTIONALS; LOCAL PSEUDOPOTENTIALS; MAIN GROUP; MESOSCALE; NONLOCAL; ORBITAL-FREE DENSITY FUNCTIONAL THEORY; PERIODIC CELL; STACKING FAULT ENERGIES;

ALUMINUM; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELASTIC MODULI; FLUORINE CONTAINING POLYMERS; PROBABILITY DENSITY FUNCTION; SMELTING;

DENSITY FUNCTIONAL THEORY;

EID: 72049089279     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430903246353     Document Type: Article

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