Ab initio study of the high-pressure behavior of CaSiO3 perovskite     

Daniel Y. Jung  Artem R. Oganov 《Physics and Chemistry of Minerals》2005,32(2):146-153

Using density functional simulations, within the generalized gradient approximation and projector-augmented wave method, we study structures and energetics of CaSiO₃ perovskite in the pressure range of the Earths lower mantle (0–150 GPa). At zero Kelvin temperature the cubic CaSiO₃ perovskite structure is unstable in the whole pressure range, at low pressures the orthorhombic (Pnam) structure is preferred. At 14.2 GPa there is a phase transition to the tetragonal (I4/mcm) phase. The CaIrO₃-type structure is not stable for CaSiO₃. Our results also rule out the possibility of decomposition into oxides.

Daniel Y. JungEmail: Phone: +41-44-6323744Fax: +41-44-6321133

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Peng Yongqing  Zhu Yufeng  Yan Shaojin 《大气科学进展》1994,11(3):277-284

This paper concerns the reconstruction of a dynamic system based on phase space continuation of monthly mean temperature 1D time series and the assumption that the equation for the time-varying evolution of phase-space state variables contains linear and nonlinear quadratic terms, followed by the fitting of the dataset subjected to continuation so as to get, by the least square method, the coefficients of the terms, of which those of greater variance contribution are retained for use. Results show that the obtained low-order system may be used to describe nonlinear properties of the short range climate variation shown by monthly mean temperature series.  相似文献   

中甸火山-岩浆弧燕山期热林复式岩体演化 与Ar-Ar 定年及铜钼矿化   总被引：10，自引：0，他引：10  

尹光侯 《地质与勘探》2009,45(4):385-394

产于中甸印支期火山一岩浆弧北东缘的燕山期热林复式岩体,从早至晚边部到中部划分出主期由细粒似斑状二长花岗岩→中粒似斑状二长花岗岩和边部补充期二长花岗斑岩5个侵入体组成的同源岩浆细粒→中粒→斑状结构演化系列.岩体岩石化学、稀土和微量元素总体反映为同熔型花岗岩特征.在复式岩体Ⅱ号侵入体中粒似斑状二长花岗岩中获黑云母Ar-Ar同位素等时年龄81.7±1.1Ma,坪年龄82.01±0.86 Ma,属燕山晚期侵入体.铜钼矿主要产于晚期侵入体中,边部细粒花岗岩和角岩内带具有细脉状黄铜矿、团块状辉钼矿化;中部发生二长花岗(斑)岩热液蚀变充填交代辉钼矿化--辉钼矿石英细脉、中粗晶浸染状;以及沿裂隙发育岩浆期后含矿热液充填交代辉钼矿化,构成燕山期花岗斑岩铜钼成矿亚系列.成因类型:蚀变花岗斑岩、石英脉型和角岩型3种,指示了燕山期二长花岗斑岩类具有较好的铜钼找矿潜力.  相似文献   

Mercury's integral phase curve: Phase reddening and wavelength dependence of photometric quantities     

J. Warell  C. Bergfors 《Planetary and Space Science》2008,56(15):1939-1948

We present results of a five-filter photometric study of Mercury's integral phase curve in the Johnson-Cousins UBVRI system, performed with the 0.90-m Westerlund Telescope in Uppsala, Sweden. CCD observations were made of the integrated disk for the phase angle range 22-152°, and the study is the first to cover the extended visible spectrum of Mercury. The observations are analyzed with Hapke's semi-empirical radiative transfer-based light-scattering model and photometric quantities are derived. A statistically significant phase reddening effect of is determined for Mercury based on color index observations, which is similar to that of the Moon. Phase coefficients fit to integral absolute magnitude data and Hapke models in combination with color index data provide a phase reddening effect of which does however not provide statistically significant evidence for its presence. Phase coefficients indicate that phase reddening may be decreasing in magnitude with wavelength. As for the case with the Moon, the value of the phase integral increases with wavelength, but at an eight times higher rate. This value is consistent with the difference in the rate of change in the spectral slope-emission angle relation for the two bodies. We attribute these differences with Mercury's redder spectral slope and an increase with wavelength of the backscattering lobe amplitude in the double Henyey-Greenstein particle phase function formulation. The normal albedo of integral Mercury at 1064 nm, pertinent to the return pulse energy of the BepiColombo laser altimeter (BELA), is estimated to 0.23±0.06 with a range of 0.13-0.33 for 99% of the surface.  相似文献   

Energy and stability in the Full Two Body Problem   总被引：1，自引：0，他引：1  

Julie Bellerose  Daniel J. Scheeres 《Celestial Mechanics and Dynamical Astronomy》2008,100(1):63-91

The conditions for relative equilibria and their stability in the Full Two Body Problem are derived for an ellipsoid–sphere system. Under constant angular momentum it is found that at most two solutions exist for the long-axis solutions with the closer solution being unstable while the other one is stable. As the non-equilibrium problem is more common in nature, we look at periodic orbits in the F2BP close to the relative equilibrium conditions. Families of periodic orbits can be computed where the minimum energy state of one family is the relative equilibrium state. We give results on the relative equilibria, periodic orbits and dynamics that may allow transition from the unstable configuration to a stable one via energy dissipation.   相似文献   

葡萄石的热膨胀性与压缩性及其地质意义     

秦善  顾婷婷  巫翔 《岩石学报》2019,35(1):146-152

利用同步辐射X射线衍射及拉曼光谱技术对葡萄石分别进行了原位高温及原位高压实验。原位高温实验结果表明葡萄石的热膨胀系数为K=1. 77(3)×10~(-5)K~(-1),轴向热膨胀系数具有各向异性(α_aα_bα_c),葡萄石在1073K时开始发生脱水反应,分解为钙长石及硅灰石。原位高压X射线衍射实验结果表明,在大于12. 4GPa时,葡萄石的晶胞参数发生不连续变化,可能发生了相变;在24. 0GPa左右,葡萄石发生不可逆的非晶化转变。原位高压拉曼光谱表明,葡萄石在12. 6GPa左右发生相变,这一相变很可能与其[(Si,Al)O_4]四面体中的Si发生有序排列有关。结合葡萄石的热膨胀性及压缩性,我们确定了葡萄石在高温高压下的稳定范围,这一结果对认识上地幔中含水矿物的状态以及地幔中水的来源有重要意义。  相似文献   

New constraints on granulite facies metamorphism and melt production in the Lewisian Complex,northwest Scotland          下载免费PDF全文

Yves Feisel  Richard W. White  Richard M. Palin  Tim E. Johnson 《Journal of Metamorphic Geology》2018,36(6):799-819

In this study, we investigate the metamorphic history of the Assynt and Gruinard blocks of the Archean Lewisian Complex, northwest Scotland, which are considered by some to represent discrete crustal terranes. For samples of mafic and intermediate rocks, phase diagrams were constructed in the Na₂O–CaO–K₂O–FeO–MgO–Al₂O₃–SiO₂–H₂O–TiO₂–O₂ (NCKFMASHTO) system using whole‐rock compositions. Our results indicate that all samples equilibrated at similar peak metamorphic conditions of ~8–10 kbar and ~900–1,000°C, consistent with field evidence for in situ partial melting and the classic interpretation of the central region of the Lewisian Complex as representing a single crustal block. Melt‐reintegration modelling was employed in order to estimate probable protolith compositions. Phase equilibria calculated for these modelled undepleted precursors match well with those determined for a subsolidus amphibolite from Gairloch in the southern region of the Lewisian Complex. Both subsolidus lithologies exhibit similar phase relations and potential melt fertility, with both expected to produce orthopyroxene‐bearing hornblende granulites, with or without garnet, at the conditions inferred for the Badcallian metamorphic peak. For fully hydrated protoliths, prograde melting is predicted to first occur at ~620°C and ~9.5 kbar, with up to 45% partial melt predicted to form at peak conditions in a closed‐system environment. Partial melts calculated for both compositions between 610 and 1,050°C are mostly trondhjemitic. Although the melt‐reintegrated granulite is predicted to produce more potassic (granitic) melts at ~700–900°C, the modelled melts are consistent with the measured compositions of felsic sheets from the central region Lewisian Complex.  相似文献   

Phase equilibrium modelling of the amphibolite to granulite facies transition in metabasic rocks (Ivrea Zone,NW Italy)     

Barbara E. Kunz  Richard W. White 《Journal of Metamorphic Geology》2019,37(7):935-950

The development of thermodynamic models for tonalitic melt and the updated clinopyroxene and amphibole models now allow the use of phase equilibrium modelling to estimate P–T conditions and melt production for anatectic mafic and intermediate rock types at high‐T conditions. The Permian mid‐lower crustal section of the Ivrea Zone preserves a metamorphic field gradient from mid amphibolite facies to granulite facies, and thus records the onset of partial melting in metabasic rocks. Interlayered metabasic and metapelitic rocks allows the direct comparison of P–T estimates and partial melting between both rock types with the same metamorphic evolution. Pseudosections for metabasic compositions calculated in the Na₂O–CaO–K₂O–FeO–MgO–Al₂O₃–SiO₂–H₂O–TiO₂–O (NCKFMASHTO) system are presented and compared with those of metapelitic rocks calculated with consistent end‐member data and a–x models. The results presented in this study show that P–T conditions obtained by phase equilibria modelling of both metabasic and metapelitic rocks give consistent results within uncertainties, allowing integration of results obtained for both rock types. In combination, the calculations for both metabasic and metapelitic rocks allows an updated and more precisely constrained metamorphic field gradient for Val Strona di Omegna to be defined. The new field gradient has a slightly lower dP/dT which is in better agreement with the onset of crustal thinning of the Adriatic margin during the Permian inferred in recent studies.  相似文献   

Influence of ferric iron on phase equilibria in greenschist facies assemblages: the hematite‐rich metasedimentary rocks from the Monti Pisani (Northern Apennines)     

D. Lo Pò  R. Braga 《Journal of Metamorphic Geology》2014,32(4):371-387

We have investigated the effects of different Fe₂O₃ bulk contents on the calculated phase equilibria of low‐T/intermediate‐P metasedimentary rocks. Thermodynamic modelling within the MnO–Na₂O–K₂O–FeO–MgO–Al₂O₃–SiO₂–H₂O–TiO₂–O (MnNKFMASHTO) chemical system of chloritoid‐bearing hematite‐rich metasedimentary rocks from the Variscan basement of the Pisani Mountains (Northern Apennines, Italy) fails to reproduce the observed mineral compositions when the bulk Fe₂O₃ is determined through titration. The mismatch between observed and computed mineral compositions and assemblage is resolved by tuning the effective ferric iron content by P–XFe₂O₃ diagrams, obtaining equilibration conditions of 475 °C and 9–10 kbar related to a post‐compressional phase of the Alpine collision. The introduction of ferric iron affects the stability of the main rock‐forming silicates that often yield important thermobaric information. In Fe₂O₃‐rich compositions, garnet‐ and carpholite‐in curves shift towards higher temperatures with respect to the Fe₂O₃‐free systems. The presence of a ferric‐iron oxide (hematite) prevents the formation of biotite in the mineral assemblage even at temperatures approaching 550 °C. The use of P–T–XFe₂O₃ phase diagrams may also provide P–T information in common greenschist facies metasedimentary rocks.  相似文献   

High-P granulites of the Songshugou area (Qinling Orogen,east-central China): Petrography,phase relations,and U/Pb zircon geochronology     

Thomas Bader  Lifei Zhang  Xiaowei Li  Bin Xia  Leander Franz  Christian de Capitani  Qingyun Li 《Journal of Metamorphic Geology》2020,38(4):421-450

High-pressure (HP) granulites provide telling records of mineral reactions at upper mantle to lower crustal levels and key information on the fate of material in subduction systems. The latter especially applies when they abut eclogite and mantle dunite because such rock associations are crucial for understanding the incompletely known processes at the interface of converging plates. A continental arc, active c. 520–395 Ma ago, formed an enigmatic example of such a rock association in the Songshugou area, Qinling Orogen. To unravel the juxtaposition of the distinct rocks, this study combines petrography, phase equilibria modelling, conventional thermobarometry, and zircon U–Th–Pb–Ti–REE analysis. Two mafic HP granulites, which contain the mineral assemblages garnet–clinopyroxene–plagioclase–rutile–mesoperthite–quartz and garnet–clinopyroxene–plagioclase–rutile, experienced peak metamorphic conditions of ≤1.4 GPa, 860°C and ~1.3 GPa, ≥910°C, respectively. During decompression and cooling, at 489 ± 4 Ma, amphibole lamellae unmixed from a clinopyroxene solid solution and orthopyroxene in part replaced garnet. A felsic HP granulite shows equilibration of garnet, perthite, antiperthite, kyanite, quartz, and rutile at 810–860°C, ~1.2 GPa, sillimanite growth during decompression, and upper amphibolite facies cooling at 510 ± 4 Ma. Though the thermobarometric data are just within the methodological errors, the U/Pb zircon ages imply the HP granulites did not evolve coherently. The HP granulites either represent foundered lower arc crust or originated from subduction erosion because their geochemistry is indistinguishable from that of the hanging-wall plate. Published and new pressure–temperature–time–deformation paths converge at ~710°C, ~0.9 GPa, and ≲470 Ma, implying exhumation tectonics juxtaposed the HP granulites with a mélange of eclogite and mantle dunite at lower crustal levels. This study highlights that lower arc crust can comprise material of diverse evolution.  相似文献