Free energies, vacancy concentrations, and density distribution anisotropies in hard-sphere crystals: A combined density functional and simulation study

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 82, Issue 5, 2010, Pages

  Oettel, M ^a,b   Gorig S ^a   Hartel A ^c   Lowen H ^c   Radu, M ^a,d   Schilling, T ^d  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF BAYREUTH   (Germany)

^c HEINRICH HEINE UNIVERSITY   (Germany)

^d UNIVERSITY OF LUXEMBOURG   (Luxembourg)

Author keywords

[No Author keywords available]

Indexed keywords

COMPARATIVE STUDIES; CRYSTAL FREE ENERGY; DENSITY DISTRIBUTIONS; DENSITY FUNCTIONALS; EQUILIBRIUM VACANCY; FUNCTIONALS; FUNDAMENTAL MEASURE THEORIES; HARD-SPHERE CRYSTALS; HIGH PRECISION; LATTICE DIRECTIONS; LATTICE SITES; MONTE CARLO SIMULATION; PEAK WIDTHS; PHYSICAL BEHAVIORS; SIMULATION RESULT; SIMULATION STUDIES; VACANCY CONCENTRATION;

ANISOTROPY; COMPUTER SIMULATION; CRYSTALS; FREE ENERGY; MONTE CARLO METHODS; SPHERES;

DENSITY FUNCTIONAL THEORY;

EID: 78651375956     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.82.051404     Document Type: Article

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