Evaluation of thermodynamic properties of solids by quasiharmonic lattice dynamics

International Journal of Thermophysics

Volumn 22, Issue 2, 2001, Pages 535-546

  Allan, N L ^a   Barrera, G D ^b   Barron, T H K ^a   Taylor, M B ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b UNIVERSIDAD NACIONAL DE LA PATAGONIA SAN JUAN BOSCO   (Argentina)

Author keywords

Defects; Free energy minimisation; Lattice dynamics; Low temperatures; Solid solutions; Thermal expansion

Indexed keywords

DEFECTS; FREE ENERGY; LATTICE VIBRATIONS; LOW TEMPERATURE PHENOMENA; MAGNESIA; MOLECULAR DYNAMICS; MONTE CARLO METHODS; QUANTUM THEORY; SOLID SOLUTIONS; SPECIFIC HEAT; THERMAL EXPANSION;

DEFECT ENERGIES; FREE ENERGY MINIMIZATION; INTERATOMIC POTENTIALS; QUASIHARMONIC LATTICE DYNAMICS (QLD);

THERMODYNAMIC PROPERTIES;

EID: 0005304535     PISSN: 0195928X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1010783000570     Document Type: Article

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