Thermo-chemical and thermo-physical properties of the high-pressure phase anhydrous B (Mg14Si5O24): An ab-initio all-electron investigation

American Mineralogist

Volumn 95, Issue 4, 2010, Pages 563-573

  Ottonello, G ^a   Civalleri, B ^b   Ganguly, J ^c   Perger, W F ^d   Belmonte, D ^a   Vetuschi Zucco, M ^a  

^a UNIVERSITY OF GENOA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

^c The University of Arizona   (United States)

^d MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

Author keywords

Ab initio; Anhydrous B; Density functional theory; Thermodynamic properties; X discontinuity, subduction

Indexed keywords

ELASTIC MODULI; FREE ENERGY; GIBBS FREE ENERGY; MAGNESIA; MATRIX ALGEBRA; MOLECULAR VIBRATIONS; OLIVINE; OXIDE MINERALS; PHYSICAL PROPERTIES; PLATES (STRUCTURAL COMPONENTS); SHEAR FLOW; SILICA; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES;

410-KM DISCONTINUITY; AB INITIO; B3LYP DENSITY FUNCTIONAL; EQUILIBRIUM STRUCTURES; LONG-WAVELENGTH LIMITS; RELAXATION PROCEDURES; THERMO-PHYSICAL PROPERTY; X-DISCONTINUITY;

DENSITY FUNCTIONAL THEORY;

EXPERIMENTAL MINERALOGY; FORSTERITE; HIGH PRESSURE; PERICLASE; POISSON RATIO; SHEAR MODULUS; SILICATE MINERAL; THERMODYNAMIC PROPERTY; YOUNG MODULUS;

EID: 77950902115     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2010.3368     Document Type: Article

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