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.     

Geochemistry of the subduction-related magmatic rocks in the Dahong Mountains, northern Hubei Province——Constraint on the existence and subduction of the eastern Mianle oceanic basin

Being a composite collisional orogen between North China and South China blocks, the Qinling orogenic belt is the key to understand the composite combination, prolonged evolutionary history and their continental dynamics. The main suture between north and south Qinling, called Shangdan suture zone (SDSZ), had been studied in detail for about twenty years. Recently, another suture zone, called Mianl黣 suture zone (MLSZ), has been identified in the Qinling Mountains. It is characterized b…     

Development characteristics of interlayer oxidation zone type of sandstone uranium deposits in the southwestern Turfan-Hami basin

The known uranium ore and anomaly occur-rences are distributed mainly in the southwestern part of the Turfan-Hami basin. The focus of current explo-ration is placed on the leachable interlayered oxidation zone type of sandstone uranium deposits. Uranium deposits in the sedimentary basin can be classified into three types in accordance with their host rock types, i.e. the sandstone-type uranium deposits, the coal rock-type uranium deposits and the mud-stone-type uranium deposits. The sandstone…     

GOALS模式对热带太平洋ENSO年际变化特征的模拟评估

文中重点分析了中国科学院大气物理研究所LASG最新发展的全球大气环流谱模式(R42L9)与一全球海洋环流模式(T63L30)耦合形成的全球海洋-大气-陆面气候系统模式(GOALS/LASG)新版本已积分30 a的模拟结果,通过与多种观测资料的对比分析,讨论了赤道太平洋海表温度(SST)的年际变化及其纬向传播、赤道东太平洋SST异常与其他洋面SST变化之间的遥相关关系、赤道太平洋浅表层海温的年际变化特征等研究内容.结果表明,COALS模式模拟出了赤道太平洋SST异常出现不规则的年际变化特点;赤道东太平洋SST异常的向西传播过程;赤道太平洋混合层海温变化由西向东、由深层向浅层的传播过程;同时也模拟出了赤道东太平洋SST变化与赤道西太平洋以及与西南太平洋海温之间的反相关关系,与南印度洋和副热带大西洋SST之间的正遥相关关系等实际观测现象.但COALS模式也存在明显的不足,如对赤道东、中太平洋SST异常的年际变化幅度明显偏小,没能模拟出赤道东太平洋的SST变化比赤道中太平洋强的特点;赤道太平洋SST从东向西的传播速度明显比实际观测慢得多,但混合层海温极值变化由西向东的传播速度明显比实际情况快得多;没能模拟出赤道东太平洋SST变化同西北太平洋SST的负相关和北印度洋海温变化的正相关现象,因此也影响了对南亚、东南亚降水年际变化的模拟能力.     

青藏高原影响亚洲夏季气候研究的最新进展

文中回顾了近 10a来吴国雄等在青藏高原影响亚洲夏季气候研究方面的最新进展。通过分析东西风交界面的演变证明 ,由于青藏高原的春季加热 ,亚洲季风区对流层低层冬季盛行偏东风转变为夏季偏西南风最早发生在孟加拉湾东部 ,与其相伴随的激烈对流降水出现在其东面。因此孟加拉湾东部至中印半岛西部是亚洲季风最早爆发的地区。同时也指出盛夏伊朗高原和青藏高原加热所激发的同相环流嵌套在欧亚大陆尺度的热力环流中 ,从而加强了东亚的夏季风 ,加剧了中西亚的干旱 ;并通过其所激发的波动对夏季东亚的气候格局产生重要影响。文中还比较了夏季南亚高压的伊朗模态和青藏模态性质的异同及其对亚洲夏季降水异常分布的不同影响。     

2003年淮河流域大水期间体积降水量的研究

针对 2 0 0 3年梅雨期淮河流域大水提出了体积降水量的概念及其计算方法 ,在计算出淮河流域和其各子流域逐日和总体积降水量的基础上 ,将体积降水量与水文站的水位和流量进行了对比分析。结果表明 :水位对累计体积降水量有较好的即时响应 ,流量对体积降水量有较好的延迟响应。另外 ,讨论了流域体积降水量的预报问题 ,用国内外数值天气预报产品和中央气象台指导预报产品 ,进行了流域体积降水量预报试验 ,并对预报结果进行了检验分析。结果表明 :在目前天气预报水平条件下 ,利用数值天气预报和中央气象台业务预报产品制作体积降水量是可行的 ,能够延长洪水预报的预见期 ;而且 ,数值天气预报产品在预报体积降水量方面有明显的优势 ,因此可以直接利用数值天气预报产品进行体积降水量的客观预报 ,为防汛工作提供重要的依据。     

柴达木盆地近40a气候变化及其对农业影响的研究

利用柴达木盆地6个代表站逐日平均气温、逐月降水资料以及逐日最低气温资料。对盆地40a来的气候变化特征进行分析。同时分析了气候变化对农业生产的影响。为充分利用变化了的农业气候资源。减少不利因素带来的影响提出了对策和建议。     

高密度电法中的"异常扩展效应"及归位计算方法

对高密度电法勘探的异常扩展效应问题进行了较深人的分析；提出了利用相关分析进行归位计算的方法。通过对球体及板状体的Pole-Pole、Wanner-alpha装置的异常归位计算，表明该方法对复杂异常的解释具有效果。     

柴达木盆地北缘"沙柳河岩群"的重新启用

柴北缘变质基底岩系中的表壳岩包含了岩石组合、沉积建造、变质程度和地质时代不同的两套岩石组合。其中，分布在柴达木地块的沙柳河、鱼卡河等地的以大理岩、石英岩和含石榴石英片岩为主含榴辉岩透镜体的表壳岩系，时代限定在1．0～1．3Ga，与分布在欧龙布鲁克微陆块的全吉山、德令哈等地形成时代大约2.3～2.4Ga的达肯大坂岩群有着明显的不同，后者以斜长角闪岩、石榴石英片岩和黑云变粒岩为主，并具有较强的钾质混合岩化。由于前者岩石组合清楚，沉积建造特征明显，构造意义独特，且有一定的区域分布性和可比性，所以具备建立新的岩群的条件。根据定名优先的原则，决定重新启用沙柳河岩群。     

二连盆地可地浸砂岩型铀成矿的再认识

笔者从铀成矿条件入手 ,分析了二连盆地在基底演化期、含矿建造形成期以及后生改造成矿期各阶段对可地浸砂岩型铀矿的控制作用 ,认为二连盆地在含矿建造形成期是由众多分割性强的 ,构造演化和沉积变迁自成体系 ,并具有多物源、近物源特点的小凹陷所组成。同时 ,综合其他控制砂岩型铀矿的因素 ,确定了二连盆地是以发育潜水 层间氧化带砂岩型铀矿为其主要成矿类型 ,且矿床规模以中、小型为主 ,具有成群成带产出的特点。