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Ground-State Structures of Ice at High-Pressures
High-Pressures Ground-State Structures Ice
2011/9/13
Ab initio random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies,ic...
Triatomic and chained molecular phases of metallic hydrogen at ultra-high pressures
Triatomic chained molecular phases metallic hydrogen ultra-high pressures
2010/11/11
It is long believed that steadily compressed hydrogen beyond 400 GPa might undergo a transition from a proton-paired insulator to a monatomic metal, associating with dissociation of the molecules. A ...
Normal and inverse ringwoodite at high pressures
Fe synchrotron X-ray low temperatures high pressures
2012/3/30
SynchrotronanomalousscatteringexperimentswithX-raywavelengthsattheFe K ab-
sorptionedgehavemadeitpossibletodistinguishbetweenionshavingdifferentvalence
statesinmagnetiteatlowtemperatures.Usingalarge...
Examination of X-ray diffraction intensities for FeO collected in situ at high pressure and high temperature reveals that the atomic arrangements of FeO in the hexagonal struc-ture are not the same as...
Complete Fe-Mg solid solution in lithium niobate and perovskite structures in titanates at high pressures and temperatures
Complete Fe-Mg solid solution lithium niobate perovskite structures titanates high pressures temperatures
2012/4/5
Anewhigh-pressureMgTiO phasewiththelithiumniobatestructure(R3c)hasbeen
roveredfromexperimentsat21GPaand1200C.Phaseswiththelithiumniobate
structurewerealsosynthesizedforintermediatecompositionsbetwee...
Phase changes and amorphization of zeolites at high pressures: The case of scolecite and mesolite
Phase changes amorphization of zeolites high pressures scolecite mesolite
2012/4/6
Pressure-induced amorphous-phase transitions (amorphization) have been observed in framework silicates like quartz and feldspars. Asimilar crystalline to highly disordered solid phase transition is re...
An in situ Raman spectroscopic study of Na2Si2O5 at high pressures and temperatures: Structures of compressed liquids and glasses
situ Raman spectroscopic study Na2Si2O5 high pressures temperatures Structures glasses
2012/4/5
Raman spectra ofNa2Si20sglassand Na2Si20sliquid have been collected in situ to pressuresof16GPaat300Kand 10GPaat885K.Inglasscompressed at300K,bands
associated withintertetrahedral bridging 0 atoms de...
Formation of Smectite Crystals at High Pressures and Temperatures
High pressure High temperature Smectite Synthesis
2011/12/29
Smectite single crystals of superior quality were synthesized at high pressures and temperatures using a modified belt type high pressure apparatus. Pressure-temperature conditions were established fo...