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.     

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...     

大数据时代的国土资源档案创新管理研究

在大数据时代,以广东省国土资源档案集群服务平台建设为例,以“档案数据大集中、应用系统大集群、档案服务大平台”为总体工作思路,提出了“一个中心,两个集群、三个统一、四位一体”的国土档案管理一揽予解决方案,并对基于大数据的国土资源档案知识服务进行了初步研究,为我国国土资源档案行业在大数据时代信息化建设提供极具实践意义的经验。     

ON THE CHARACTERISTICS OF NON-LINEAR SOIL RESPONSE AND DYNAMIC SOIL PROPERTIES USING VERTICAL ARRAY DATA IN JAPAN

Non-linear response of the soil is investigated by comparing the spectral ratios (uphole/downhole) using weak and strong motions. Data from seven vertical arrays in Japan are analysed in this study. The frequency-dependent transfer function of soil is calculated as a ratio of the spectrum at uphole to the spectrum at downhole, considering the horizontal component of shear wave. In spectral ratio analysis auto- and cross-spectra are employed. The reduction in the predominant frequency of the transfer function with increases in excitation level reflects the non-linear response of the soil. Results of analysis demonstrate a significant non-linear ground response at six sites with surface PGA exceeding 90 gal. However, the results of one site show the linear response up to 130 gal surface PGA. Furthermore, the in situ strain-dependent soil behaviour is examined through the shear modulus – shear strain relationship. When compared, the actual and laboratory results of the shear strain – shear modulus relationship are in agreement. Additionally, a good consistency between the tendency of reduction in shear modulus ratio with shear strain increases, and reduction of predominant frequency with ground motion increases, confirms the significance of non-linearity in site effects study.