High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

Journal of Chemical Physics

Volumn 140, Issue 12, 2014, Pages

  Erba, A ^a   Mahmoud, A ^a   Belmonte, D ^b   Dovesi, R ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF GENOA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; CRYSTAL SYMMETRY; CRYSTALLINE MATERIALS; EQUATIONS OF STATE; GARNETS; MINERALS; QUANTUM CHEMISTRY; SHEAR FLOW; SINGLE CRYSTALS;

AB INITIO SIMULATIONS; COMPUTATIONAL STRATEGY; ELASTIC ANISOTROPY; ELASTIC PROPERTIES; ELASTIC STIFFNESS CONSTANT; ROCK-FORMING MINERALS; SEISMIC WAVE VELOCITY; THEORETICAL APPROACH;

ELASTICITY;

EID: 84897475324     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869144     Document Type: Article

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