A mapping of the electron localization function for the silica polymorphs: evidence for domains of electron pairs and sites of potential electrophilic attack

The electron localization function, η, evaluated for first-principles geometry optimized model structures generated for quartz and coesite, reveals that the oxide anions are coordinated by two hemispherically shaped η-isosurfaces located along each of the SiO bond vectors comprising the SiOSi angles. With one exception, they are also coordinated by larger banana-shaped isosurfaces oriented perpendicular to the plane centered in the vicinity of the apex of each angle. The hemispherical isosurfaces, ascribed to domains of localized bond-pair electrons, are centered ～0.70 Å along the bond vectors from the oxide anions and the banana-shaped isosurfaces, ascribed to domains of localized nonbonding lone-pair electrons, are centered ～0.60 Å from the apex of the angle. The oxide anion comprising the straight SiOSi angle in coesite is the one exception in that the banana-shaped isosurface is missing; however, it is coordinated by two hemispherically shaped isosurfaces that lie along the bond vectors. In the case of a first-principles model structure generated for stishovite, the oxide anion is coordinated by five hemispherically shaped η-isosurfaces, one located along each of the three SiO bond vectors (ascribed to domains of bonding-electron pairs) that are linked to the anion with the remaining two (ascribed to domains of nonbonding-electron pairs) located on opposite sides of the plane defined by three vectors, each isosurface at a distance of ～0.5 Å from the anion. The distribution of the five isosurfaces is in a one-to-one correspondence with the distribution of the maxima displayed by experimental Δρ and theoretical ??²ρ maps. Isosurface η maps calculated for quartz and the (HO) ₃ SiOSi(OH) ₃ molecule also exhibit maxima that correspond with the (3,?3) maxima displayed by distributions of ??²ρ. Deformation maps observed for the SiOSi bridges for the silica polymorphs and a number of silicates are similar to that calculated for the molecule but, for the majority, the maxima ascribed to lone-pair features are absent. The domains of localized nonbonding-electron pair coordinating the oxide anions of quartz and coesite provide a basis for explaining the flexibility and the wide range of the SiOSi angles exhibited by the silica polymorphs with four-coordinate Si. They also provide a basis for explaining why the SiO bond length in coesite decreases with increasing angle. As found in studies of the interactions of solute molecules with a solvent, a mapping of η-isosurfaces for geometry-optimized silicates is expected to become a powerful tool for deducing potential sites of electrophilic attack and reactivity for Earth materials. The positions of the features ascribed to the lone pairs in coesite correspond with the positions of the H atoms recently reported for an H-doped coesite crystal.     

Quasi-static analysis of strike fault growth in layered media

We study the effects of structural inhomogeneity on the quasi-static growth of strike-slip faults. A layered medium is considered, made up of an upper layer bounded by a free surface and welded to a lower half-space with different elastic property. Mode III crack is employed as a mathematical model of strike-slip fault, which is nucleated in the lower half-space and then propagates towards the interface. We adopt FEM-β, newly proposed analysis method for failure, to simulate the quasi-statistic crack growth governed by the stress distribution in layered media. Our results show that along planar traces across interfaces a compliant upper layer has significant effects on promoting/suppressing crack growth before/after its extension into the layer and vice versa for a rigid one. This proposes a possibility that surface breaks due to strike-slip faulting could be arrested by deposit layers at the topmost part of the Earth's crust.     

2010年5月与2013年6月黄、渤海大型底栖动物群落组成和结构的比较研究

基于2010年5月和2013年6月采集的黄、渤海海域的大型底栖动物数据,对该海域大型底栖动物的种类组成和群落结构等进行了研究,对该海域大型底栖动物群落结构的时间和空间差异进行了分析,并利用AMBI和m-AMBI生物指数对各站位的生态质量状况进行了评估。研究结果表明:在2010年5月和2013年6月所采站位的大型底栖动物共有131种,其中软体动物和甲壳动物占据了较大比例的物种数量,分别为51种和42种;其次为鱼类、多毛类和棘皮动物。该海域的优势物种为日本鼓虾 Alpheus japonicus、日本褐虾 Crangon hakodatei、司氏盖蛇尾Stegophiura sladeni和奇异指纹蛤Acila mirabilis,其中司氏盖蛇尾具有最大的丰度和优势度。生物指数(AMBI和m-AMBI)的结果显示黄、渤海区域底栖生态环境仍相对稳定,但与历史资料比较得知,该海域大型底栖动物生存环境整体趋于恶化。     

广东省藤铁铁矿成矿地质特征

藤铁铁矿位于鱼鹿岩枝东接触带中段,该矿体为铁、铜、锡共(伴)生矿床.受断裂带、岩体侵入接触带、夕卡岩带和鱼鹿岩枝控制.据此总结出该区"三带一体"的成矿特征.     

全国资源与生态环境遥感监测数据管理与应用服务系统设计

为推动资源与生态环境遥感监测数据的应用与服务,为国家、相关行业管理决策和社会公众提供有价值的信息,需要在资源与生态环境遥感监测成果数据基础上,开发数据管理与应用服务系统。本文从国家资源与生态环境建设的实际需求出发,结合国土资源部实施的环北京地区资源与生态环境遥感监测成果,探讨资源与生态环境遥感监测数据管理与应用服务的技术解决方案,搭建资源与生态环境遥感监测数据管理与应用服务技术平台,并实现网络环境下对资源与生态环境监测形成的各种类型数据的集成化管理。     

川南S8滑坡体不稳定现象分析与防治

S8滑坡体后壁出露有新鲜滑动面，两侧呈双沟同源，坡体出现大量裂缝，前缘缓慢推移等，充分说明该滑坡体正处于不稳定状态。主要原因是：季节性洪水侵蚀滑坡体，前缘出现了临空面，使前缘支撑作用减弱；滑坡体内裂隙发育，裂隙水动力作用使滑动面抗滑能力降低；邻近采煤区造成的采动裂隙增加了水动力作用。该滑坡体裂隙丰富，保水性差，不利于植物生长；滑坡体边缘不断垮塌造成水土流失，沉积物淤塞下游河谷。防治措施有：在滑坡体后壁修筑排水沟，关闭邻近小煤窑，在前缘冲沟里构筑堡坎以减小水侵蚀作用；在冲沟里构筑拦砂埂，抬高沟底阻止切向侵蚀，以稳定滑坡体前缘。     

Prediction of Resource Volumes at Untested Locations Using Simple Local Prediction Models

This paper shows how local spatial nonparametric prediction models can be applied to estimate volumes of recoverable gas resources at individual undrilled sites, at multiple sites on a regional scale, and to compute confidence bounds for regional volumes based on the distribution of those estimates. An approach that combines cross-validation, the jackknife, and bootstrap procedures is used to accomplish this task. Simulation experiments show that cross-validation can be applied beneficially to select an appropriate prediction model. The cross-validation procedure worked well for a wide range of different states of nature and levels of information. Jackknife procedures are used to compute individual prediction estimation errors at undrilled locations. The jackknife replicates also are used with a bootstrap resampling procedure to compute confidence bounds for the total volume. The method was applied to data (partitioned into a training set and target set) from the Devonian Antrim Shale continuous-type gas play in the Michigan Basin in Otsego County, Michigan. The analysis showed that the model estimate of total recoverable volumes at prediction sites is within 4 percent of the total observed volume. The model predictions also provide frequency distributions of the cell volumes at the production unit scale. Such distributions are the basis for subsequent economic analyses.

Intraseasonal oscillation intensity over the western North Pacific:Projected changes under global warming

本文利用8个CMIP5模式的日资料,预估了RCP4.5和RCP8.5情景下全球增温达1.5℃和2.0℃时西北太平洋夏季30～60天和10～20天季节内振荡(ISO)强度的变化情况.大多数模式都认为,无论增温水平或情景如何,预估结果均显示从中南半岛南部到菲律宾以东的带状区域内ISO强度增加,并且关键气象要素背景的变化会对...     

基于叠前深度偏移的AVO反演在神狐海域试采区的应用

为了更好地研究神狐海域试采区天然气水合物的展布形态和赋存状况,基于高精度层析速度反演后的叠前深度偏移地震资料进行AVO反演技术研究。为在天然气水合物富集区有效地进行AVO研究,AVO处理前运用叠前深度偏移技术,通过高精度层析反演不断迭代速度模型;然后通过偏移来改善资料的质量,结合实测钻井资料进行AVO正演分析、反演可行性分析、属性交会分析;最后将具有高横向分辨能力的地震资料和高垂向分辨能力的测井资料与地质相结合进行叠前同时反演。该方法可反演出纵、横波阻抗等属性,直接进行岩性和流体识别,结果表明,在AVO反演中引入叠前深度偏移技术,为反演提供了较高质量的叠前共反射点道集和精细的层速度模型,改善了AVO技术在试采区的应用效果,提高了反演的可靠性。反演出的各种属性为AVO分析提供了丰富的信息,能够比较准确地反映地下水合物矿体的展布情况,可用于后续水合物储层的分析及综合研究,对未来的水合物勘探开采具有重要的现实意义。