Thermophysical properties of the α-β-γ polymorphs of Mg2SiO4: A computational study

Physics and Chemistry of Minerals

Volumn 36, Issue 2, 2009, Pages 87-106

  Ottonello, G ^a   Civalleri, B ^b   Ganguly, J ^c   Vetuschi Zuccolini, M ^a   Noel, Y ^d  

^a UNIVERSITY OF GENOA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

^c The University of Arizona   (United States)

^d SORBONNE UNIVERSITÉ   (France)

Author keywords

Forsterite; Polymorphic transitions; Ringwoodite; Thermodynamic properties; Wadsleyite

Indexed keywords

FREE VOLUME; OLIVINE; POLYMORPHISM; SILICATE MINERALS; SILICON COMPOUNDS; THERMODYNAMICS; VOLUMETRIC ANALYSIS;

ACOUSTIC MODES; B3LYP DENSITY FUNCTIONAL; BRILLOUIN ZONES; BULK MODULUS; COMPUTATIONAL STUDIES; DISPERSION RELATIONS; ELECTRONIC ENERGIES; EXPERIMENTAL DATUM; FORSTERITE; INTERNAL ENERGIES; LONG-WAVELENGTH LIMITS; OPTIC MODES; OPTICAL VIBRATIONAL MODES; OPTIMIZATION PROCEDURES; POLYMORPHIC TRANSITIONS; POTENTIAL WELLS; RINGWOODITE; SEMI-CLASSICAL APPROACHES; STRUCTURE RELAXATIONS; THERMAL CORRECTIONS; THERMO-PHYSICAL PROPERTIES; VIBRATIONAL FREQUENCIES; VOLUMETRIC PROPERTIES; WADSLEYITE; X- RAY DIFFRACTIONS; ZERO-POINT ENERGIES;

THERMODYNAMIC PROPERTIES;

FORSTERITE; PHYSICAL PROPERTY; POLYMORPHISM; RINGWOODITE; THERMODYNAMIC PROPERTY; VIBRATION; WADSLEYITE;

EID: 59649089520     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-008-0260-4     Document Type: Article

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