Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3

Solid State Communications

Volumn 98, Issue 1, 1996, Pages 41-44

  Franco, R ^a   Blanco, M A ^a   Pendás, A Martín ^a   Francisco, E ^a   Recio, J M ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

C. Crystal structure and symmetry; D. Crystal binding and equation of state; D. Thermodynamic properties

Indexed keywords

COMPUTER SIMULATION; CORUNDUM; CRYSTAL STRUCTURE; CRYSTAL SYMMETRY; EQUATIONS OF STATE; HIGH PRESSURE EFFECTS; HIGH TEMPERATURE EFFECTS; LATTICE VIBRATIONS; MATHEMATICAL MODELS; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES;

ATOMISTIC SIMULATION; CRYSTAL BINDING; DEBYE MODEL; ELECTRON GAS FORMALISM; ELECTRONIC WAVEFUNCTIONS; IONIC INTERACTIONS; PRESSURE TEMPERATURE VOLUME DIGRAM;

ALUMINA;

EID: 0030127365     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/0038-1098(96)00015-4     Document Type: Article

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