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G. V. Gibbs D. F. Cox T. D. Crawford M. B. Boisen Jr M. Lim 《Physics and Chemistry of Minerals》2002,29(5):307-318
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. 相似文献
13.
关于地理信息理论的若干思考 总被引:1,自引:0,他引:1
李德仁 《武汉大学学报(信息科学版)》1997,(2)
地理信息系统是运行在信息高速公路上的重要列车,它以应用为目的,以技术为导引,为全社会涉及空间地理数据的各行各业服务。随着电子计算机技术、通讯技术、空间定位技术、遥感技术和可视化技术的发展,地理信息系统的硬、软件环境,数据采集、存贮、分析和表达等手段,势必要不断进步。在此形势下,本文试图对地理信息理论问题作出探讨和思考。主要包括:各种形式空间数据在计算机中的表示;空间数据的自动采集与更新;空间数据的质量及数据不确定性;GIS数据的空间查询与分析;空间数据的表达与显示(可视化、符号化和多尺度表示)。在讨论和分析中注意与传统的以纸质地图为介质的“模拟法GIS”相比较,并尽可能顾及未来计算机技术和信息技术的发展特点 相似文献
14.
工程地质钻孔信息模型及数据库研究 总被引:3,自引:0,他引:3
为了建立结构规范统一的工程地质勘察信息数据库,提出了“用户”与“系统”两级数据库相互映射的技术,把用户对数据的操作和计算机处理数据的过程分离开来。其中用户数据库面向用户的需要,系统数据库则满足信息管理的要求。在系统数据库中采用“块-层”结构的地层数据模型,对钻探区域进行了“地层层序”优化。“块-层”模型把钻探区域的“优化地层层序”作为一个基本块,针对性强,层次清晰地表达了复杂多变的地层信息,将有不同地层层序的各个钻探点统一成相同的结构,解决了在地层模型中难以表达地层翻转、缺失信息的问题,极大地方便了后续的信息处理和钻孔数据插值的进行。 相似文献
15.
大数据时代的国土资源档案创新管理研究 总被引:1,自引:0,他引:1
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。 相似文献
16.
Flow failure of sandy subsoil induced by seismic liquefaction is known to cause significant damage to structures. It is induced not only by the dynamic forces exerted by seismic acceleration but also by the static gravity force in consequence of the topography of the ground. The ground flow may sometimes continue after the end of the seismic loading and finally the ground is significantly deformed to cause a failure.This paper numerically predicts the magnitude of flow that could occur when soil liquefaction continues for a sufficiently long period. It is considered that liquefied soil behaves like a viscous liquid, and hence, ground flow is governed by the principle of minimum potential energy. In the calculation, liquefied sand is assumed to be a viscous liquid that deforms in undrained conditions with its volume remaining constant. To consider the non-linearity due to large displacement, the updated Lagrangian method is used to solve the equation of motion. The Newmark β method is employed to calculate the time history of the ground motion. Finally, a simulation using this calculation method shows that the proposed method gives reasonable results for the conditions indicated. 相似文献
17.
历史文献中气候信息的评价 总被引:17,自引:1,他引:17
本文对我国史料中所载气候信息进行了评价。结论是:①对于史料所载的某一气候事件,我们将其状态分辨取越细,所获取的信息越少;②在分析过程中,对误差要求低些,所获取的信息反而高些;③就已记录的气候事件而言,官方组织的记载所提供的气候信息最多,私人笔札次之,方志类书最次。 相似文献
18.
Blogging, social networking, and other Web 2.0 practices have sparked widespread debate about the status and future of privacy. This paper examines an explicitly geographical aspect of Web 2.0 with respect to these debates: the geospatial web, or ‘geoweb’. As part of fundamental shifts in the kinds of geographic information available, its circulation, and representative forms it assumes, the geoweb implies new objects of privacy concern and subsequent privacy-related negotiations over the aggregate of its component information, technologies, and data praxes. Thus we argue that privacy must not only be revisited, but indeed re-conceptualized. Whereas prior research on privacy vis-à-vis geographic information technologies has tended to question what privacy ‘is’, we focus instead on the constitutive outcomes of societal struggles over privacy. We examine how privacy is being negotiated around two geoweb services - Google Street View and the Twitter GeoAPI - to illustrate that these contestations produce privacy as a social object in particular ways. We show that public discourse around actual or anticipated privacy harms stemming from geoweb services and their uses, as well as the preventatives and remedies proposed or implemented to address such harms, reconstitute the objects and practices of privacy concern, and alter the roles and relationships of state, civil and corporate actors in the construction of privacy. Finally we suggest that the geoweb raises new privacy concerns because some of its representational forms - namely geo-tagged images and self-authored texts - facilitate identification and disclosure with more immediacy and less abstraction. 相似文献
19.
20.
断裂和裂缝的分形特征 总被引:18,自引:0,他引:18
在详细剖析断裂和裂缝组成和结构相似性的基础上, 计算了贝尔断陷T5和T2两层构造图上断裂信息维和10口井布达特群岩心裂缝信息维, 分析了影响断裂和裂缝信息维的因素, 达到了从断裂信息维去预测裂缝分布的目的.影响断裂和裂缝信息维的因素包括密度、延伸长度、断层性质以及岩性, 但从根本上讲断层性质及岩性对信息维影响体现在断裂的密度上, 因此信息维应该是断裂发育程度的度量, 利用断裂信息维与裂缝信息维关系、裂缝信息维与裂缝密度关系预测裂缝的分布, 有利的裂缝发育带有3个区域, 与现今见油气井分布吻合. 相似文献