Molecular modeling of the 10-Å phase at subduction zone conditions     

Jianwei Wang 《Earth and Planetary Science Letters》2004,222(2):517-527

Molecular dynamics (MD) modeling of the 10-Å phase, Mg₃Si₄O₁₀(OH)₂·xH₂O, with x=2/3, 1.0 and 2.0 shows complex structural changes with pressure, temperature and water content and provides new insight into the structures and stabilization of these phases under subduction zone conditions. The structure(s) of this phase and its role as a reservoir of water in the mantle have been controversial, and these calculations provide specific predictions that can be tested by in situ diffraction studies. At ambient conditions, the computed structures of talc (x=0) and the 10-Å phases with x=2/3 and 1.0 are stable over the 350-ps period of the MD simulations. Under these conditions, the 10-Å phases show phlogopite-like layer stacking in good agreement with previously published structures based on powder X-ray diffraction data for samples quenched from high-pressure and high-temperature experiments. The calculations show that the 10-Å phase with x=2.0 is unstable at ambient conditions. The computed structures at P=5.5 GPa and T=750 K, well within the known stability field of the 10-Å phase, change significantly with water content, reflecting changing H-bonding configurations. For x=2/3, the layer stacking is talc-like, and for x=1.0, it is phlogopite-like. The calculations show that transformation between these two stackings occurs readily, and that the talc-like stacking for the x=2/3 composition is unlikely to be quenchable to ambient conditions. For x=2.0, the layer stacking at P=5.5 GPa and T=750 K is different than any previously proposed structure for a 10-Å phase. In this structure, the neighboring basal oxygens of adjacent magnesium silicate layers are displaced by b/3 (about 3 Å) resulting in the Si atoms of one siloxane sheet being located above the center of the six-member ring across the interlayer. The water molecules are located 1.2 Å above the center of all six-member rings and accept H-bonds from the OH groups located below the rings. The b/3-displaced structure does not readily transform to either the talc-like or phlogopite-like structure, because neither of these stackings can accommodate two water molecules per formula unit. There is likely to be a compositional discontinuity and phase transition between the b/3-displaced phase and the phase with phlogopite-like stacking. The simulations reported here are the first to use the recently developed CLAYFF force field to calculate mineral structures at elevated pressures and temperatures.  相似文献   

Right-Angle Rooftop Polygon Extraction in Regularised Urban Areas: Cutting the Corners   总被引：1，自引：0，他引：1  

A. Croitoru  Y. Doytsher 《The Photogrammetric Record》2004,19(108):311-341

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电吸附找矿方法   总被引：3，自引：2，他引：3  

周奇明  周立宏  董树政 《物探与化探》2004,28(3):199-201

电吸附找矿方法是找隐伏矿的新方法。它是指通过物理化学手段来发现后生地球化学异常的找矿方法。它是建立在异常元素地球化学理论和野外地电提取法的理论基础之上。利用电吸附找矿方法在一些已知矿床进行找矿效果试验,获得了很好的效果,说明了该方法找矿的有效性。  相似文献   

四川新康风化淋滤型海泡石的热相变研究   总被引：3，自引：0，他引：3  

王吉中  李胜荣  江永宏 《矿物学报》2004,24(1):55-60

以四川新康风化淋滤型海泡石为研究对象，利用X射线衍射分析和红外光谱分析技术，对海泡石的热相变过程及特征进行了研究。结果发现，四川新康风化淋滤型海泡石的相变过程与沉积型、热液型海泡石相变过程明显不同，其相变过程可以划分为两个阶段：800℃以下保持海泡石相；800℃以上海泡石相转化为斜顽辉石相。  相似文献   

Numerical simulations for coupled rock deformation and gas leak flow in parallel coal seams   总被引：3，自引：0，他引：3  

Peide Sun> 《Geotechnical and Geological Engineering》2004,22(1):1-17

Based on the new viewpoint of interaction mechanics for solid and gas, gas leakage in parallel deformable coal seams can be understood. That is, under the action of varied geophysical fields, the methane gas flow in a double deformable coal seam can be essentially considered to be compressible with time-dependent and mixed permeation and diffusion through a pore-cleat deformable, heterogeneous and anisotropic medium. From this new viewpoint, coupled mathematical models for coal seam deformation and gas leak flow in parallel coal seams were formulated and the numerical simulations for slow gas emission from the parallel coal seams are presented. It is found that coupled models might be close to reality. Meanwhile, a coupled model for solid deformation and gas leak flow can be applied to the problems of gas leak flow including mining engineering, gas drainage engineering and mining safety engineering in particular the prediction of the safe range using protective layer mining where coal and gas outbursts can efficiently be prevented. This revised version was published online in July 2006 with corrections to the Cover Date.  相似文献   

Polymetallic Mineralization at the Suttsu Vein-type Deposit, Southwestern Hokkaido, Japan   总被引：1，自引：0，他引：1  

Shuji Ono  Koji Hirai    Hiroharu Matsueda  Taro Kabashima 《Resource Geology》2004,54(4):453-464

Abstract. The Suttsu polymetallic vein-type deposit, hosted by tuff, tuff breccia and shale of the Miocene Kunnui Formation and propylitized hornblende-augite andesite, is located in southwestern Hokkaido, Japan. It has been exploited and explored for Cu, Pb, Zn and Ag until 1962.
In this study, we examined K-Ar ages, ore mineralogical characteristics and fluid inclusions to obtain new data for the deposit.
The K-Ar ages on sericite indicate that the polymetallic mineralization occurred in Late Miocene (8.1–5.7 Ma). The polymetallic banded ore from the Ohkubo vein is characterized by an abundance of Au, Ag, Sn, Bi, in, Se and Te. These metals are mainly ascribed to electrum (30.3–37.8 atom% Ag), Se-bearing pavonite (8.5–9.5 wt% Se), gustavite-lillianite solid solution, Se-bearing bismuthinite (5.0–5.3 wt% Se), kawazulite, cassiterite, Sn-bearing chalcopyrite (3.3–4.2 wt% Sn), In-bearing stannite, stannite-chalcopyrite solid solution, and In- and Sn-bearing sphalerite (2.6–8.4 wt% In and 1.8–4.3 wt% Sn), occurring in narrow bands of the ore. The In- and Sn-bearing sphalerite likely forms a sphalerite-roquesite-stannite solid solution with the contents of roquesite and stannite being about 2–9 and 2-A mole%, respectively. Temperatures and salinities (in wt% NaCl equiv.) of the ore fluids are estimated to be 180-250C and 3–4 wt%, respectively. The Sn-bearing chalcopyrite therefore probably precipitated metastably. The geologic and mineralogical features suggest that pre-Tertiary basement rocks rich in organic material underlie the Miocene Kunnui Formation nearby the deposit and that they contributed to local and temporary reduction of magnetite-series magmas favorable for the early stage tin-polymetallic mineralization.  相似文献   

The magmatic to hydrothermal transition and its bearing on ore-forming systems   总被引：1，自引：0，他引：1  

Werner E. Halter  James D. Webster 《Chemical Geology》2004,210(1-4):1-6

The exsolution of volatile phases from silicate magmas controls physical and chemical magma properties and influences large-scale geologic phenomena and processes having major societal and economic implications including the release of climate-altering gases to the atmosphere, the explosivity of volcanic eruptions, hydrothermal alteration, and the generation of magmatic–hydrothermal mineralization. These volatile phases exsolve from a wide variety of magmas and cover a very broad spectrum of compositions.

The transition from the orthomagmatic to the hydrothermal stages has important bearing on these fundamentally important geologic phenomena, and this report summarizes the published results of a dozen scientific investigations on the magmatic–hydrothermal transition as applied to volcanic eruption and magmatic–hydrothermal mineralization. These studies involve a variety of analytical and experimental methodologies, and many focus on fluid and melt inclusions from mineralized magmatic systems. A primary goal of each study is to better understand the role of magmatic volatiles and the importance of the magmatic–hydrothermal transition on these geologic processes.  相似文献   

Pressure State in Deep Crust and Formation Depth of UHP Metamorphic Rocks     

Lü Guxian 《中国地质大学学报(英文版)》2004,15(2):135-144

INTRODUCTIONSincethediscoveryofeclogiteswithcoesiteanddia mondinclusionsrelatedtothecontinent continentcollision orogenyenvironment,theultrahigh pressuremetamorphism(UHPM )intheDabie Suluhasarousedgreatinterestinmanygeologists (Liouetal .,1994 ;Xuetal.,1992 ) .Experimentalstudieshaveprovedthatsuchmineralsasdia mond ,coesiteandomphaciteoccurredat 2 - 5GPa (andatthecorrespondingtemperatures) (Stevenetal.,1982 ;MirwaldandMasonne ,1980 ) .However,itdoesnotmeanthatthemetamorphicrockscanbe…  相似文献   

The structural role of Ti in aluminosilicate liquids in the glass transition range: insights from heat capacity and shear viscosity measurements     

Mathieu Roskosz  M.J Toplis 《Geochimica et cosmochimica acta》2004,68(3):591-606

The shear viscosities and 1 bar heat capacities of glasses and melts along the 67mol% silica isopleth in the system SiO₂-Al₂O₃-Na₂O-TiO₂ have been determined in the temperature ranges 780-1140 K and 305-1090 K respectively. Anomalous behaviour of both these properties is observed for compositions rich in TiO₂ and/or Al₂O₃, an observation attributed to liquid-liquid phase separation followed by anatase crystallization. For samples which do not show anomalous behaviour, it is found that the partial molar heat capacity of the TiO₂ component previously determined in Al-free compositions reproduces our heat capacities to within 1.3%. Viscosity data show that addition of TiO₂ tends to increase viscosity and melt fragility at constant temperature. Furthermore, heat capacity and viscosity data may be combined within the framework of the Adam-Gibbs theory to extract values of the configurational entropy of the liquids and qualitative estimates of the variation of the average energy barrier to viscous flow. Configurational entropy at 900K is inferred to decrease upon addition of TiO₂, in contrast to previous results from Al-free systems. The compositional limit separating normal from anomalous behaviour, as well as the data for homogenous melts have been used to constrain the structural role of Ti in these samples. Our data are consistent with a majority of Ti in five-fold coordination associated with a titanyl bond, in agreement with previous spectroscopic studies. Furthermore, we find no evidence for a Ti-Al interaction in our samples, and we are led to the conclusion that Al and Ti are incompletely mixed, a hypothesis consistent with the observed reduction of configurational entropy upon addition of TiO₂, suggesting an important role of medium range order in controlling the variations in thermodynamic properties.  相似文献   

Three-dimensional wave propagation in a general anisotropic poroelastic medium: phase velocity, group velocity and polarization   总被引：2，自引：0，他引：2  

M. D. Sharma 《Geophysical Journal International》2004,156(2):329-344

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