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.     

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.     

对应分析方法在粤西水东湾动力沉积环境分析的应用

本文以粤西水东湾表层沉积物样品的粒度分布为基本数据,使用对应分析方法并结合地形与波流特征,分析了海湾动力沉积环境。分析结果表明,海湾现代沉积环境可划分为4个动力沉积区。     

Modelling the spatial and temporal distribution of rainfall: a case study in the wet and dry tropics of North East Australia

Rainfall regimes with strong spatial and temporal variation are characteristic of many coastal regions of north and eastern Australia. In coastal regions of north eastern Australia, regimes vary considerably over short distances. This occurs because of changes in local topography, including the height and orientation of mountain ranges and the direction of the coastline with respect to the prevailing moist south east air stream. Northern Australia experiences a tropical monsoon climate with rainfall occurring predominantly during the summer months. Areas with a closer proximity to the coast typically experience the heavier rainfalls. While networks of rainfall gauges have been established and continuous records are available for most of these stations from the 1890s, their low distribution density relative to the complexity of rainfall pattern they are required to represent means that there remains a poor understanding of the spatial and temporal distribution of rainfall in the wet tropics. An enhanced knowledge of rainfall distribution in both space and time has the potential to deliver significant economic and environmental benefits to managers of natural resources. This paper reports on the application of a technique for estimating mean annual and mean monthly rainfall across the Herbert River catchment of north east Australia's dry and wet tropics. The technique utilises thin plate smoothing splines to incorporate both location and elevation into estimates of rainfall distribution. We demonstrate that the method can be applied successfully at the meso scale and within the domain of routinely available data. As such, the method has broad relevance for decision making.     

SEDIMENT TRANSPORT MODEL OF A WATERSHED

ChinaisoneOfthecountrieswhichsufferfromthemostserioussoilerosionintheworld,andthehillyandgullyareasof~PlateauinthemiddlereachesOftheYellowRiverarethemostseriouserosionareainChina.Inthisarea,themainerosivefactorsarerainfallandrunoff.Sometimes,thesedimentyieldinasinglefloodeventcanbe40%oftheannualsedimentload.Therefore,itisveryimPOrtanttostudytheyieldandgraphOfSedimentOfsinglefindevent.Forthispn~,thispaperiswritten.AInongsedimentmodelsforsinglefloodevent,moreandmoreattentionwaspaidtOunitse…     

The Correlation Bias for Two-Dimensional Simulations by Turning Bands

The turning bands method (TBM) generates realizations of isotropic Gaussian random fields by summing contributions from line processes. We consider two-dimensional simulations and study the correlation bias attributable to the use of only a finite number L of lines. Our analytical and numerical results confirm that the maximal bias is of order 1/L, and that L = 64 lines suffice for excellent covariance reproduction. The notorious banding observed in simulations with an insufficient number of lines is a related but different phenomenon and depends strongly on the choice of the line simulation technique. Clear-cut recommendations for the number of lines necessary to avoid the effect can only be based on practical experience with the specific code at hand.     

干旱地区灌丛沙堆研究现状与展望

从灌丛沙堆的形成演变、形态特征及其空间格局、表面气流特征及其风蚀堆积平衡、表面植被生态生理特性及其对降水和地下水的响应、土壤理化性质和保育措施等几个方面进行综述。认为目前灌丛沙堆研究只是针对某一区域或多个区域的静态研究,对灌丛沙堆演化过程中的形态、气流、土壤以及植被等因素的变化特征及其相互作用研究不足,难以解释灌丛沙堆的演化机制及其影响因素。同时灌丛沙堆研究过于强调其作为土地退化的指示,而忽略了其在退化生态系统中的重要生态功能,不利于干旱和半干旱区的生态环境恢复。今后的研究应该加强对灌丛沙堆演化过程中的土壤、植被、水分的变化特征及其不同影响因素之间相互作用过程的研究,深入探讨灌丛沙堆在干旱半干旱退化生态系统中的积极作用。基于以上基础数据和理论依据,对灌丛沙堆的保育措施进行探索,找出合理的灌丛沙堆保育措施。     

Paleofire reconstruction for high-elevation forests in the Sierra Nevada, California, with implications for wildfire synchrony and climate variability in the late Holocene

Here, we present two high-resolution records of macroscopic charcoal from high-elevation lake sites in the Sierra Nevada, California, and evaluate the synchroneity of fire response for east- and west-side subalpine forests during the past 9200 yr. Charcoal influx was low between 11,200 and 8000 cal yr BP when vegetation consisted of sparse Pinus-dominated forest and montane chaparral shrubs. High charcoal influx after ∼ 8000 cal yr BP marks the arrival of Tsuga mertensiana and Abies magnifica, and a higher-than-present treeline that persisted into the mid-Holocene. Coeval decreases in fire episode frequency coincide with neoglacial advances and lower treeline in the Sierra Nevada after 3800 cal yr BP. Independent fire response occurs between 9200 and 5000 cal yr BP, and significant synchrony at 100- to 1000-yr timescales emerges between 5000 cal yr BP and the present, especially during the last 2500 yr. Indistinguishable fire-return interval distributions and synchronous fires show that climatic control of fire became increasingly important during the late Holocene. Fires after 1200 cal yr BP are often synchronous and corroborate with inferred droughts. Holocene fire activity in the high Sierra Nevada is driven by changes in climate linked to insolation and appears to be sensitive to the dynamics of the El Niño-Southern Oscillation.     

矢量地图数据数字水印抗拼接算法

地图拼接是矢量地图数据中的一种常见处理方式。为了正确提取水印信息,需要从拼接后的地图中确定出水印嵌入区域。利用水印嵌入后坐标点尾部数据分布发生变化的特点,提出了一种基于分布拟合检验的抗拼接算法。该算法利用四叉树算法将地图分成多个区域,然后利用单样本K-S检验判断每个区域内的坐标点尾部数据是否服从均匀分布,最终确定出水印嵌入区域。实验表明,该算法能够达到提取水印嵌入区域的目的。