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

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.     

大别山沙村中生代A型花岗岩和基性岩的源区演化关系

A型花岗岩的成因虽存在不同的认识模式,但对大别山沙村A型花岗岩的岩石化学和地球化学研究结果表明,其物质源自大陆岩石圈地幔的部分熔融,含有古老地壳信息。结合被侵入基性岩的地球化学和年代学资料,推测大别造山带中生代岩石圈地幔的地球化学性质与下扬子地幔相似。花岗岩中锆石SHRIMP法U-Pb年龄为119.0±3.2Ma,说明其岩浆侵位于早白垩世,与邻近的基性岩侵位时间相近但稍晚。在三叠纪因大陆俯冲碰撞增厚的岩石圈在早白垩世被拉张减薄,含有古老地壳成分的扬子陆下岩石圈地幔及其上覆下地壳发生部分熔融,形成了不同成分的碰撞后岩浆岩。其中部分基性岩浆分异结晶成为辉长岩,而A型花岗岩可能是同一地幔源区物质小比例部分熔融后分异结晶的产物。     

南太行山闪长岩的SHRIMP锆石U-Pb年龄及岩石成因研究

南太行山符山和东冶角闪闪长岩岩体的精细SHRIMP锆石U-Pb定年和元素-同位素地球化学研究表明:符山角闪闪长岩体形成于126.7±1.1Ma,东冶角闪闪长岩体形成于125.9±0.9Ma,与区内基性侵入岩和北太行地区侵入杂岩具有相似的形成年龄,表明晚中生代(±130Ma左右)太行山地区经历了与华北陆块同期的重要构造岩浆事件。区内闪长质岩石SiO_2=54.84％～65.75％,MgO=1.31％～3.89％,K_2O Na_2O=6.53％～11.40％,mg值=0.36～0.58,(La/Yb)_(cn)=9.86～22.77,(Gd/Yb)_(cn)=1.51～2.00;Eu/Eu=1.00～1.23,以富集LREE、LILE元素和明显亏损Nb-Ta、Zr-Hf-Ti等高场强元素为特征。~(87)Sr/~(86)Sr(t)=0.705363～0.706165,ε_(Nd)(t)=-13.8～-16.8,源自于EMI型富集岩石圈地幔,可解释为新生地幔底侵物质熔融后经过结晶分异作用的产物。与华北克拉通内部其他地区一样,早白垩世南太行山地区处于软流圈上涌的岩石圈伸展构造背景。     

非均质土坝稳定性的渗流场和应力场耦合分析

綦于多孔介质的渗流特性和土的非线性本构关系，研究了渗流场与应力场的耦合效应，并针对一实际十坝建立了非线性耦合分析模型，探讨了位于软基之上的非均质土坝的渗流与应力耦合规律。分析结果表明，在渗流作用下，坝休和坝基中渗流与应力的相互作用是不应忽视的，其作用结果将会使土坝、特别足防渗心端附近应力水平和渗透坡降均有不同程度的提高，表明考虑渗流场和应力场耦合作用的计算结果对土坝稳定安全性不利。     

中国东部中新生代构造格局和岩浆岩带的形成与演化

在研究印支期秦岭-大别-苏鲁造山带的形成与地幔差速环流的基础上，系统综合了中国东部中新生代的基底构造对断裂构造的控制，深层构造对隆凹与断陷盆地的制约，伸展构造在陆内及陆缘外的表现，岩浆岩带的时空分布及展布特点等规律，依据中国东部中新生代构造格局与岩浆岩带在时空分布上的宽阔性、方向性、迁移性、分带性，特别是深层构造对浅层断裂构造、伸展构造的制约，以及岩浆岩带、隆起与盆地等自西向东迁移特点，提出其形成机制可能与强大地幔东向差速环流有关。     

重金属迁移转化模型研究

大量重金属污染物迁移转化的现象和研究成果都表明重金属以泥沙颗粒为载体迁移转化,描述重金属在天然水体中的迁移转化必须紧紧抓住泥沙颗粒运动及重金属与泥沙之间的转化关系进行.为此在对现有的重金属迁移转化数学模型进行概括分类的基础上,根据水沙运动与污染物相互作用关系,分析了泥沙颗粒运动及重金属吸附解吸不平衡过程,并结合水沙数学模型,建立了重金属迁移转化的耦合模型.同时在模型合理性分析的基础上,对模型进行了计算分析,分析表明模型能够合理地反映重金属污染物在水体中的迁移转化过程.     

我国主要金矿类型中黄铁矿"电子-空穴心"特征及影响因素

通过对我国主要金矿类型中黄铁矿导电类型的分析表明，黄铁矿“电子。空穴心”与金矿床的成因类型具有密切的联系，华北地台太古代变基性火山岩中的金矿床(绿岩带型)、热水淋滤型(卡林型)金矿床，黄铁矿多为单一的“电子心”型导电。大多数产于中生代岩体中的中深脉状金矿、火山次火山岩中的金矿床，黄铁矿为“电子心”、“空穴心”混合型导电，个别的为单一的“空穴心”导电。黄铁矿的“电子．空穴心”受杂质成分As、Co、Nl在成矿背景中的丰度，进入黄铁矿品格中的替代能力的差异、补偿类质同象现象、成矿时温度以及．f(S2)等多种因素的耦合制约。     

碳酸岩Sr、Nd、Pb 同位素地球化学研究评述

碳酸岩是出露相对较少的幔源岩石，其中Sr与Nd是研究地幔物质组成的主要对象之一。本文统计了世界上主要碳酸岩的锶、钕、铅同位素组成特征；研究显示，碳酸岩源区主要是洋岛玄武岩高U／Pb的HIMU端员和富集端员(EM1或EM2)的混合作用；此外大部分碳酸岩的锶、钕同位素落在大洋玄武岩范围内；这些均表明其成因与地慢柱有密切联系。碳酸岩及与之共生的硅酸岩的同源或独立源区模式部很难充分解释两者同位素组成特征，逭反映碳酸岩的演化模式涉及更复杂的过程。可能是俯冲作用使碳酸岩源区经历不同时间和程度的富集、亏损过程导致地幔源区成分不均一。     

P–T–fO2 controls on a partly inverse chromite-bearing ultramafic intrusive: an evaluation from the Sukinda Massif, India

The chromites from the alpine type ultramafic intrusive of Sukinda, India, display a typical partly inverse spinel form and occur in two distinct zones: Brown Ore Zone (BOZ) and Grey Ore Zone (GOZ). The host ultramafites are mostly altered and are represented by the serpentinite, tremolite-talc(chlorite) schist, talc-serpentine schist and chlorite rock. The less altered variants are dunite, harzburgite and websterite. A dyke of orthopyroxenite runs through the main ultramafic body.The composition of olivine (Fo₉₂), orthopyroxene (En_92–89) and Al₂O₃ contents of the parental liquid (10.40–11.45%) determined from chromites, suggest that the parent melt is of boninitic affinity. The chemical plot of TiO₂ content against cr# of chromites corroborates a boninitic parental melt. The Fe–Mg partitioning in olivine and chromite depicts the temperature for chromitites as 1200 °C. A compositional plot of mg# and cr# suggests crystallization at high pressure conditions, corresponding to the kimberlite xenolith field. From the P–T diagram of pyrolite melting and mineral assemblage, the pressure of crystallization is stipulated to be ≥1.2 GPa. The f_O2 values estimated from Fe³⁺/Cr+Al+Fe³⁺ ratios range from 10^−8.3 to 10^−9.3 for the GOZ and 10^−7.1 to 10^−7.3 for the BOZ. The f_O2 values together with the pressure range suggest crystallization at upper mantle conditions. The heterogeneity in chemical composition and f_O2 conditions for the GOZ and BOZ could be linked to heterogeneity in the upper mantle.     

The Significance of Multiple Saturation Points in the Context of Polybaric Near-fractional Melting

Experimental petrologists have successfully located basalticliquid compositions parental to mid-ocean ridge basalt thatare, within experimental resolution, multiply saturated withthree-phase harzburgite or four-phase lherzolite assemblageson their liquidus at some elevated pressure. Such an experimentalresult is a necessary consequence of any paradigm in which eruptedbasalts derive from single-batch primary liquids that equilibratewith a mantle residue and undergo no subsequent magma mixingbefore differentiation and eruption. Here we investigate whether,conversely, such evidence of multiple saturation is sufficientto exclude dynamic melting models wherein increments of meltare mixed after segregation from residues, during melt transportor in magma chambers. Using two independent models of crystal–liquidequilibria to simulate polybaric near-fractional peridotitemelting, we find that aggregate liquids from such melting processescan display near-intersections of liquidus surfaces too closeto distinguish experimentally from exact multiple saturationpoints. Given uncertainties in glass compositions, fractionationcorrections, experimental temperature and pressure conditions,and achievement of equilibrium, these results suggest that polybaricmixtures can in fact masquerade as mantle-equilibrated single-batchprimary liquids. Multiple saturation points on the liquidussurfaces of primitive basalts do, however, preserve informationabout the average pressure of extraction of their constituentincrements of liquid. KEY WORDS: mantle melting; basaltic volcanism; experimental igneous petrology; thermodynamic modelling; inverse method