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Three- and five-quantum 17O MAS NMR of forsterite Mg2SiO4
Three- and five-quantum 17O MAS NMR forsterite Mg2SiO4
2012/3/31
17Three- and five-quantum O MAS NMR experiments are used to resolve fully the three crystallo-
graphically distinct oxygen species in forsterite (Mg
SiO ). The chemical shift and quadrupolar pa-2 4...
Ab initio calculations on point defects in forsterite (Mg2SiO4) and implications for diffusion and creep
Ab initio calculations point defects forsterite Mg2SiO4 diffusion creep
2012/4/6
Abinitiocalculationsonsimpleionicvacanciesinforsteriteshowthattherearelargeenergeticdifferencesbetweenvacanciesonnonequivalentsites.OxygendefectsontheO3sitearebetween1and3eVlowerinenergythanontheO2and...
Structure and dynamics of protonated Mg2SiO4: An ab-initio molecular dynamics study
Structure protonated Mg2SiO4 ab-initio molecular dynamics study
2012/4/6
WestudiedstructuralanddynamicalpropertiesofH absorbedinMg SiO byab-initiomoleculardynamics.We?rstcalculatedthe T 0equationofstateofpureforsteriteasafunctionofpressure,andwedeterminedtherelativestabili...
High-temperature Raman spectroscopic and X-ray diffraction study of β-Mg2SiO4: Insights into its high-temperature thermodynamic properties and the β to α phase-transformation mechanism and kinetics
High-temperature Raman spectroscopic X-ray diffraction study β-Mg2SiO4 Insights high-temperature thermodynamic properties the β to α phase-transformation mechanism kinetics
2012/4/5
Weperformed in-situ Raman spectroscopy and X-ray diffraction experiments at high temperature and ambient pressure to investigate the intrinsic anharmonic properties of {J-Mg2Si04and the mechanism and ...