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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...
直至核幔边界的Mg2SiO4成分熔体剪切粘滞度的平衡分子动力学研究
分子动力学 粘滞度 Mg_2SiO_4熔体
2010/12/17
熔体的粘滞度极大地影响熔体的各处动力学行为。虽然有一些有关酸碱生熔体粘滞度的数据但涉及地球更深部过程的基性和超基性熔体的粘滞度的数据很少。本项研究利用平衡分子动力学方法Ｍｇ２ＳｉＯ４成分熔体从２１６９Ｋ到５５９５Ｋ。压力从１０＾５Ｐａ到１３５ＧＰａ的粘滞度，所获得的粘滞度数据介于Ｕｒｂａｉｎｅｔ ａｌ，（１９８２）和Ｉｖａｎｏｖ ａｎｄ Ｓｔｅｎｇｅｌｍｅｙｅｒ（１９８２）的实验数据之间，比Ｓｈａ
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 ...