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First principles calculations on the high-pressure behavior of magnesite
First principles calculations high-pressure behavior magnesite
2012/4/1
The equation of state and high pressure (>200 GPa) behavior of magnesite were investigated
using first principles pseudopotential calculations based upon density functional theory within the
general...
The equation of state and high-pressure behavior of magnesite
The equation state high-pressure magnesite
2012/4/5
Unit-cellparametersofmagnesitehavebeenmeasuredtohighprecisionbetween0and7GPausingsingle-crystalX-raydiffraction.Theisothermalbulkmodulusofmagnesite
determinedfrom?ttingaBirch-Murnaghanthird-orderequa...
High-pressure behavior of kyanite: Decomposition of kyanite into stishovite and corundum
High-pressure behavior Decomposition kyanite stishovite corundum
2012/4/5
Thepressurestabilityofkyanitewasexperimentallyreversedwiththeuseofamulti-
anvilapparatus.Kyanitewasfoundtodecomposeintoitsoxidesstishoviteandcorundumbetween14 0.5GPa(at1000C)and17.5 1.0GPa(at2000C).
...
High-pressure behavior of kyanite: Compressibility and structural deformations
High-pressure kyanite Compressibility structural deformations
2012/4/5
Structuralre?nementswerecarriedoutondatacollectedat0.001kbarwiththecrystal
inairandat0.1,25.4,37,and47kbarwiththecrystalinthediamondanvilcell.Whereas
theSitetrahedraandAl4octahedronwereincompressibl...
The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study
The pressure behavior clinozoisite zoisite X-ray diffraction study
2012/4/1
Structural refinements of clinozoisite performed at 0.5, 19.4, and 42 kbar, and also under
ambient conditions, showed that the compression mechanism included both shrinking of
he polyhedra (i.e., oc...