土壤剖面的磁学特征及其对交通污染的指示意义——以北京首都机场高速公路为例

对北京首都机场高速公路旁采集的土壤柱状T01剖面的磁学参数和金属元素分析,探讨了研究区内现代交通导致的土壤磁学性质的变化及其对环境污染的响应.结果表明,磁参数(χ,ARM和SIRM)与重金属含量呈同步垂向变化趋势.来源于交通运输排放的污染物是土壤剖面上部(0～8 cm)磁性和金属含量增强的主要原因,8cm以下,土壤基本未受到污染,磁性矿物和重金属含量较低,磁性颗粒变化稳定,基本代表了该地区土壤的自然背景.尽管土壤岩石磁学分析表明剖面上下部受污染和未受污染样品的磁载体均是粒度较粗的多畴磁铁矿,但是结合磁参数比值曲线,说明底部样品的磁颗粒的粒度较顶部偏细.磁性矿物的含量变化没有影响磁颗粒的粒度特征.指标聚类等相关分析表明,土壤磁参数(χ,ARM和SIRM)与重金属元素(Pb,Zn和Cu)含量显著相关;结合模糊聚类分析,磁参数可用于追踪、识别交通污染物质在土壤剖面中的富集、迁移状态,揭示不同深度土壤的污染程度.     

Nonlinear least-squares method via an isomorphic geometrical setup

The resolution of a nonlinear parametric adjustment model is addressed through an isomorphic geometrical setup with tensor structure and notation, represented by a u-dimensional “model surface” embedded in a flat n-dimensional “observational space”. Then observations correspond to the observational-space coordinates of the pointQ, theu initial parameters correspond to the model-surface coordinates of the “initial” pointP, and theu adjusted parameters correspond to the model-surface coordinates of the “least-squares” point . The least-squares criterion results in a minimum-distance property implying that the vector Q must be orthogonal to the model surface. The geometrical setup leads to the solution of modified normal equations, characterized by a positive-definite matrix. The latter contains second-order and, optionally, thirdorder partial derivatives of the observables with respect to the parameters. This approach significantly shortens the convergence process as compared to the standard (linearized) method.     

Electronic structure and electric field gradient calculations of Al2SiO5 polymorphs

 The electronic structure of the three polymorphs of Al₂SiO₅, andalusite, sillimanite, and kyanite, is studied by linearized-augmented-plane-wave (LAPW) calculations using the WIEN code. Total energy calculations verify, in agreement with recent pseudopotential calculations, that andalusite is the most stable phase, followed by sillimanite and kyanite.We determine the electronic charge density distribution and find strong polarizations on all oxygen ions. We identify different polarizations due to Al or Si neighbors which depend on their respective distances to the oxygen atom. The chemical bonding is not purely ionic in nature but has important covalent contributions. Electric field gradients (EFGs) at all sites are calculated and agree well (within 10%) with available experimental data on Al. We identify the origin of the EFGs and demonstrate its relation to the nearest-neighbor coordination and the resulting anisotropy of the electronic charge distribution. Received: 22 March 2000 / Accepted: 3 August 2000     

Collocation resolution of the oceanic geoid based on satellite altimetry

The approach presented is directed toward a specific adaptation of the least‐squares collocation with noise, yielding smooth predictions of geophysical quantities. The smoothing corresponds here to a truncated gravity field equivalent to an (n’, n') spherical‐harmonic expansion. This is reflected in the truncation, at the degree n‘, of the pertinent covariance and cross‐covariance functions in most (but not all) instances. The smooth predictions of geophysical quantities, made in an equilateral grid corresponding to the truncation degree n‘, serve in constructing contour maps after having been densified for the needs of a contour routine. Such a densification is carried out efficiently via errorless collocation with the degree truncation n‘ throughout. Consistent with this procedure, “residuals” at observation points (i.e., discrepancies between the contour map and the data) are computed using the same algorithm. The complete collocation approach is utilized for a 2° resolution of the earth's gravity field with emphasis on the oceanic geoid, based on the residuals from a global spherical‐harmonic adjustment of SEASAT altimetry. The presented results include contour maps of geoid undulations and gravity anomalies. They are compared to the results of a point‐mass adjustment, another technique based on the spherical‐harmonic adjustment. The agreement between these two techniques is found to be excellent.     

Earth observations during space shuttle right STS‐29: Discovery's Voyage to the earth

Abstract

Today's Geography graduates are employed by a diverse set of employers, and the jobs these individuals fill are as varied as the field of Geography itself. Geographers who join corporate workplace teams may need to find common grounds for communication with their business school‐trained colleagues. This cross‐disciplinary study examines the curricula of introductory courses in Geographic Information Systems (GIS) and one of its business counterparts, Accounting Information Systems (AIS), through an analysis of GIS and AIS textbooks. The findings suggest that there are areas in which shared background exists. Introductory information about systems, and an understanding of database architectures are the most likely areas of commonality; depending on which GIS text was used during the geographer's training, the geographer may also share background in such areas as systems analysis, database management systems, and data modeling.     

Magnetic properties of urban soil profile and their significance for traffic pollution-Case study of the capital airport expressway in Beijing

An expressway-side soil profile 22 cm long was sampled from the grassland of the expressway linking Beijing and the Capital International Airport. Magnetic measurements, geochemical and multivariate statistic analyses were performed on the soil samples. The results reveal that the soil profile can be divided into two parts with significant difference in magnetic proxies and heavy metal concentration. The uppermost soil horizon (0–8 cm) represents the pollution-rich layer with higher concentration of ferrimagnetic phases and metallic elements. The values of xare very high with an average of 141.60 × 10⁻⁸ m³·kg⁻¹ in the layer. We explain that the anthropogenic dust input from traffic is the predominant cause for strong signals of magnetic phases and heavy metals. Below the profile depth of 8 cm, there is minor pollution in the soil with lower concentration of magnetic minerals and heavy metals compared to the natural background values. χ remains quite stable and relatively low with an average of 49.44 × 10⁻⁸ m³·kg⁻¹. S-ratio also generally decreases with depth, and it changes from 0.93 in the 0–8 cm layer to 0.87 below the depth of 8 cm. It indicates that the soil samples are overwhelmingly predominated by ferrimagnetic minerals in the upper part soil, while the contribution of imperfect antiferromagnetic components is stronger in the lower part. Rock magnetic experiments show MD magnetite as the main magnetic carrier both in the upper and lower parts. Themagnetic grain size in the upper part is, however, a bit coarser than that in the lower part. Cluster analysis shows a positive correlation between magnetic properties (χ, ARM, SIRM) and heavy metal pollutants of Pb, Zn, Cu. Fuzzy C-means cluster analysis can clearly help divide the soil profile into two different layers and distinguish their characteristics. It can be concluded that these magnetic concentration-related parameters can be used as proxies for pollution investigation in a fast, sensitive, low-cost and highly efficient approach to screening heavy metal pollution. __________ Translated from Quaternary Sciences, 2007, 27(6): 1113-1120 [译自:第四纪研究]     

Experimental and theoretical bond critical point properties for model electron density distributions for earth materials

Generalized X-ray scattering factor model experimental electron density distributions and bond critical point, bcp, properties generated in recent studies for the earth materials stishovite, forsterite, fayalite and cuprite with high energy single crystal synchrotron X-ray diffraction data and those generated with high resolution diffraction data for coesite and senarmonite were found to be adequate and in relatively good agreement, ~5% on average, with those calculated with quantum chemical methods with relatively robust basis sets. High resolution low energy single crystal diffraction data, recorded for the molecular sieve AlPO₄-15, were also found to yield model electron density distribution values at the bcp points for the AlO and PO bonded interactions that are in relatively good to moderately good agreement with the theoretical values, but the Laplacian values of the distribution at the points for the two bonded interactions were found to be in relatively poor agreement. In several cases, experimental bcp properties, generated with conventional low energy X-ray diffraction data for several rock forming minerals, were found overall to be in poorer agreement with the theoretical properties. The overall agreement between theoretical bcp properties generated with computational quantum methods and experimental properties generated with synchrotron high energy radiation not only provides a basis for using computational strategies for studying and modeling structures and their electron density distributions, but it also provides a basis for improving our understanding of the crystal chemistry and bonded interactions for earth materials. Theoretical bond critical point properties generated with computational quantum methods are believed to rival the accuracy of those determined experimentally. As such the calculations provide a powerful and efficient method for evaluating electron density distributions and the bonded interactions for a wide range of earth materials.Dedicated to Professor Robert F. Stewart of Carnegie Mellon University on his retirement for his brilliant and original work modeling electron density distributions.     

Electron density distribution and bond critical point properties for forsterite, Mg2 SiO4, determined with synchrotron single crystal X-ray diffraction data

A generalized X-ray scattering factor model experimental electron density distribution has been generated for the orthosilicate forsterite, using an essentially extinction and absorption free set of single crystal diffraction data recorded with intense, high energy synchrotron X-ray radiation (E=100.6 keV). A refinement of the model converged with an R(F)=0.0061. An evaluation of the bond critical point, bcp, properties of the distribution at the (3, –1) stationary points for the SiO and MgO bonded interactions, yielded values that agree typically within ~5%, on average, with theoretical values generated with quantum chemical computational strategies, using relatively robust basis sets. On the basis of this result, the modeling of the experimental distribution is considered to be adequate. As the bcp properties increase in magnitude, the MgO and SiO bonds decrease in length as calculated for a number of rock forming silicates. As asserted by Coppens (X-ray charge densities and chemical bonding. Oxford University Press, Oxford, 1997), large negative ²(r_c) values, characteristic of shared interactions involving first row atoms, may not be characteristic of closed shell covalent bonded interactions involving second row Si, P and S atoms bonded to O. This study adds new evidence to the overall relatively good agreement between theoretical bcp properties generated with computational quantum strategies, on the one hand, and experimental properties generated with single crystal high energy synchrotron diffraction data on the other. The similarity of results not only provides a basis for using computational strategies for studying and modeling structures, defects and the reactivity of representative structures, but it also provides a basis for improving our understanding of the crystal chemistry of earth materials and the character of the SiO bonded interaction.