Ab initio calculations of the beryl structure at room and higher pressures, and of its equation of state, have been performed
both at the Hartree–Fock (HF) and density functional (DFT) level. In the latter case, three different hybrid HF/DFT Hamiltonians
have been employed, in which the exact non-local exchange contribution increases from 20% (B3LYP Hamiltonian, indicated with
the symbol F20) to 50% (F50) and 60% (F60). Within the DFT series, the equilibrium volume (V0) increases as the HF exchange contribution decreases; with respect to the experimental datum, F20 overestimates V0 by 2.9%, whereas F60 underestimates it by 0.9%; F50 (and HF) volume is very close to the experimental datum (error less than
−0.1%). All four Hamiltonians overestimate the bulk modulus (K0); with respect to the experimental datum (obtained in the present work) [K0=179(1) GPa], the F20 Hamiltonian leads to the smallest error (+2.7%); the corresponding errors for the F50, F60 and HF Hamiltonians
are +13.2, +16.2 and +16.3%, respectively. In the case of F20, in spite of the small error in K0, the relatively large error in V0 leads to an incorrect P(V) equation of state, which significantly overestimates the pressure at a given volume, compared to the experimental one at
the same volume; the maximum error in the pressure range investigated is at the largest pressure (Pmax=26.4 GPa) and amounts to +34.8%. The corresponding errors for the F50, F60 and HF Hamiltonians are +12.9, +5.7 and +15.5%. 相似文献
K-feldspar megacrysts (Kfm) are used to investigate the magmaticevolution of the 7 Ma Monte Capanne (MC) monzogranite (Elba,Italy). Dissolution and regrowth of Kfm during magma mixingor mingling events produce indented resorption surfaces associatedwith high Ba contents. Diffusion calculations demonstrate thatKfm chemical zoning is primary. Core-to-rim variations in Ba,Rb, Sr, Li and P support magma mixing (i.e. high Ba and P andlow Rb/Sr at rims), but more complex variations require othermechanisms. In particular, we show that disequilibrium growth(related to variations in diffusion rates in the melt) may haveoccurred as a result of thermal disturbance following influxof mafic magma in the magma chamber. Initial 87Sr/86Sr ratios(ISr) (obtained by microdrilling) decrease from core to rim.Inner core analyses define a mixing trend extending towardsa high ISrRb/Sr melt component, whereas the outer coresand rims display a more restricted range of ISr, but a largerrange of Rb/Sr. Lower ISr at the rim of one megacryst suggestsmixing with high-K calc-alkaline mantle-derived volcanics ofsimilar age on Capraia. Trace element and isotopic profilessuggest (1) early megacryst growth in magmas contaminated bycrust and refreshed by high ISr silicic melts (as seen in theinner cores) and (2) later recharge with mafic magmas (as seenin the outer cores) followed by (3) crystal fractionation, withpossible interaction with hydrothermal fluids (as seen in therim). The model is compatible with the field occurrence of maficenclaves and xenoliths. KEY WORDS: Elba; monzogranite; K-feldspar megacrysts; zoning; magma mixing; trace element; Sr isotopes; petrogenesis相似文献
In southeastern Sicily, the distribution pattern of earthquake-triggered landslides is inconsistent with historically known seismic activity. In particular, historical seismicity has been stronger in the eastern sector, while earthquake-triggered landsliding is much more developed in the western sector, and this contrasts with expectations. This paper describes the patterns of seismicity and landsliding, and tackles the problem of whether greater landsliding in the western sector may be due (a) to seismicity of the eastern sector or (b) to a high-magnitude, low-recurrence seismicity generated in the western sector itself. It is statistically shown that lithostructural characteristics of rock masses and geometry of hillslopes cannot justify, either singly or jointly, greater landsliding in the western sector if triggering earthquakes are generated in the eastern sector. As a consequence, it is possible that landsliding of the western sector is due to earthquakes generated locally, but having higher magnitude and longer recurrence intervals than historically observed. 相似文献
Zoning patterns of An content and Fe, Mg and Sr concentrations in plagioclase phenocrysts in andesites from Parinacota Volcano (N. Chile) reflect alternating recharge events with two chemically distinct mafic magmas. These magmas are characterized by low and high Sr contents, similar to two recent mafic flank eruptions. One end-member basaltic andesite shows large Sr enrichment and Heavy Rare Earth depletions and thus equilibrated with lower-crustal rocks at depth where plagioclase (high Sr) is unstable, and garnet (high HREE, Y) is stable. A second end-member magma is lower in Sr, Ba contents and has REE patterns typical for parent magmas elsewhere in the Central Andes.
The number of recorded recharge events increases after a catastrophic sector collapse and during the subsequent rebuilding of the stratocone. Variations of An, Fe and Mg contents and morphology of zones suggest also changes in water pressure, including decompression under water under-saturated and water-saturated conditions. Evidence for decompression is more present in post-collapse samples, suggesting that the change in the volcano dynamics involves changes in magma chamber location. This shows the importance of the cone collapse event in the volcano's magmatic evolution. We propose that both end-members are only seen at the surface of Parinacota Volcano because of the particular dynamics of this volcanic system and that similar processes might occur in other volcanic centres of the Central Volcanic Zone. 相似文献