Visualization and Analysis of Multi-terabyte Geophysical Datasets in an Interactive Setting with Remote Webcam Capabilities

Visualizing and analyzing datasets in the geosciences is becoming increasingly complicated as their volumes are growing explosively. This poses a challenging problem for researchers who must sift through terabytes of data to discover useful relationships inside the information. There is a great need for geophysicists to interactively explore their data sets. Conventional visualization systems lack adequate bandwidth and rendering capabilities necessary for the largest data sets. CAVE and Powerwall display devices are necessary for researchers to explore their data sets in an immersive setting. We describe a utilitarian system targeted specifically at the cost-effective interactive exploration of data sets tens of terabytes in size and harness this system for visualization and analysis of geophysical simulations. Webcams can be used as a steering device to track a local region of interest, which is useful for remote visualization of large data sets. This system will be employed as a web-service under the auspices of Narada-Brokering, while using webcam technologies to enable remote visualization for collaborating researchers. Webcams can be incorporated in a point-to-point network for rapid exchange of information and quickly announcing natural disasters, such as tsunamis, landslides and earthquakes.     

Adsorption mechanisms of trivalent gold on iron- and aluminum-(oxy)hydroxides. Part 1: X-ray absorption and Raman scattering spectroscopic studies of Au(III) adsorbed on ferrihydrite, goethite, and boehmite

Gold adsorption products on powdered ferrihydrite, goethite, and boehmite samples, prepared by reacting Au(III)-Cl solutions ([Au] = 4.2 × 10⁻⁵-9.0 × 10⁻³ M; [Cl] = 0.017-0.6 M) with these adsorbents at pH values of 4 to 9 and Au adsorption densities ranging from 0.046 to 1.53 μmol/m² were characterized using Au-L_III XAFS spectroscopy. The solutions (before and after uptake) were investigated by Raman scattering to determine speciation and by Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES) to determine solution composition. We present an analysis of several effects that are observed in the Au L_III-edge XAFS spectra, including X-ray beam-induced photo-reduction, multi-electronic excitations, disorder effects, and multiple scattering, that would complicate interpretation of the spectra if not accounted for. A combination of methods (spectral deconvolution, principal component analysis, spectral inversion, and wavelet analysis) was used to identify and quantify these effects, to characterize the nature of mixed ligands around gold, and to distinguish between multiple-scattering features and features due to next-nearest neighbors in the XAFS spectra.Analysis of the Au-L_III XAFS spectra showed that Au(III) is present as square-planar Au(III)(O,Cl)₄ complexes in the aqueous solutions and on the surfaces of the Al/Fe-(oxy)hydroxide adsorption samples with dominantly O ligands at pH > 6 and mixed O/Cl ligands at lower pH values. The EXAFS-derived Au-O and Au-Cl distances are 2.00(2) and 2.28(2) Å, respectively, and the magnitudes of the Debye-Waller factors and third cumulants from anharmonic analyses indicate very little thermal or positional disorder around Au(III) in the adsorption samples. Iron second neighbors are present around Au in the Au(III)/ferrihydrite and Au(III)/goethite adsorption samples, with Au-Fe distances of 3.1(1) and 3.3(1) Å. In boehmite, two sets of Au-Al distances were detected at 3.0(1) and 3.2(1) Å. A reverse Monte Carlo study of the XAFS spectroscopic data suggests the presence of a continuum of edge-shared AuO₄-FeO₆ distances, which cannot be described correctly by a classical model of these data in which only a mean distance (although severely under-estimated) is derived.     

Application of SAXS and SANS in evaluation of porosity, pore size distribution and surface area of coal

This paper discusses the applicability of small angle X-ray scattering (SAXS) and small angle neutron scattering (SANS) techniques for determining the porosity, pore size distribution and internal specific surface area in coals. The method is noninvasive, fast, inexpensive and does not require complex sample preparation. It uses coal grains of about 0.8 mm size mounted in standard pellets as used for petrographic studies.Assuming spherical pore geometry, the scattering data are converted into the pore size distribution in the size range 1 nm (10 Å) to 20 μm (200,000 Å) in diameter, accounting for both open and closed pores. FTIR as well as SAXS and SANS data for seven samples of oriented whole coals and corresponding pellets with vitrinite reflectance (R_o) values in the range 0.55% to 5.15% are presented and analyzed. Our results demonstrate that pellets adequately represent the average microstructure of coal samples.The scattering data have been used to calculate the maximum surface area available for methane adsorption. Total porosity as percentage of sample volume is calculated and compared with worldwide trends. By demonstrating the applicability of SAXS and SANS techniques to determine the porosity, pore size distribution and surface area in coals, we provide a new and efficient tool, which can be used for any type of coal sample, from a thin slice to a representative sample of a thick seam.     

Analysis of wax hydrocarbons in petroleum source rocks from the Damintun depression, eastern China, using high temperature gas chromatography

A detailed organic geochemical study; utilising petrography, biomarker hydrocarbon analysis and high temperature GC analysis of extractable wax hydrocarbon constituents was performed on four marginally oil window-mature source rocks from the Shahejie Formation (Eocene), Damintun depression in eastern China. The main maceral components in the source rocks were vitrinite, liptinite and exinite, with vitrinite being more abundant (>50 vol.%) in organic-lean samples whose TOC contents were between 1 and 2 wt.%. Large differences in pristane/phytane ratios suggested that the organic-rich samples were deposited in a less oxic depositional environment than that for the organic-lean rocks. The distribution of extractable wax hydrocarbons, determined by high temperature GC, showed a marked difference between these two sample types. The organic-rich samples contained high molecular weight hydrocarbons (HMWHCs) dominated by macrocrystalline n-alkanes (n-C₂₃–n-C₃₇, typically maximising at n-C₂₉), while the organic-lean samples contained lower amounts of extractable wax hydrocarbons but were relatively rich in microcrystalline components (> n-C₃₅). In all source rocks (Es3 and Es4), a noticeable odd-over-even predominance (OEP) of n-alkane chain lengths (up to n-C₆₅) was evident, consistent with a direct biological origin for the long n-alkyl chains. They were most probably formed during diagenesis from decarboxylation of predominantly even-carbon-numbered aliphatic acids originating from higher plant or lacustrine algal sources and/or were directly biosynthesised in hydrocarbon form. At least two other homologous series of branched/cyclic HMWHCs were observed, one of which was confirmed as a series of branched alkanes (probably methyl-branched). The carbon number distribution patterns of HMWHCs may be primarily controlled by thermal maturity and biogenic source input as well as being influenced by diagenetic reactions governed by depositional environmental conditions, as shown previously [Carlson, R.M.K., Teerman, S.C., Moldowan, J.M., Jacobson, S.R., Chan, E.I., Dorrough, K.S., Seetoo, W.C., Mertani, B., 1993. High temperature gas chromatography of high wax oils. In: Indonesian Petroleum Association, 22nd Annual Convention Proceedings. Jakarta, Indonesian, pp. 483–507. Carlson, R.M.K., Jacobsen, S.R., Moldowan, J.M., Chan E.I., 1994. Potential application of high temperature gas chromatography to Middle Eastern petroleum exploration and production. In: Al-Husseini, M.I. (Ed.), Geo'94, Vol 1., Selected Middle East Papers from The Middle East Petroleum Geoscience Conference, 1994; Gulf PetroLink. Manama, Bahrain, pp. 258–267]. Our study indicates for the first time that Es3 source rocks as well as Es4 facies contain HMWHCs. The distributions of extractable wax hydrocarbons suggest that both Es4 and Es3 members may potentially serve as important parent source rocks for generating waxy petroleum in this region.     

X-ray absorption fine structure study of As(V) and Se(IV) sorption complexes on hydrous Mn oxides

X-ray absorption fine structure (XAFS) spectroscopic analysis at the As, Se, and Mn K-edges was used to study arsenate [As(V)O₄³⁻] and selenite [Se(IV)O₃²⁻] sorption complexes on the synthetic hydrous manganese oxides (HMOs) vernadite (δ-MnO₂) and K-birnessite (nominal composition: K₄Mn₁₄O₂₇ · 9H₂O). No significant changes were observed in sorption complex structure as a function of sorbent, pH (5 to 8), surface coverage (0.04 to 0.73 μmol/m²), or reaction time (5 to 22 h) in the arsenate or selenite systems. In the arsenate/HMO system, extended XAFS parameters indicate an average second-neighbor As(V) coordination of 2.0 ± 0.4 Mn at an average distance of 3.16 ± 0.01 Å, which is consistent with formation of As(V)O₄ sorption complexes sharing corners with two adjacent Mn(IV)O₆ surface species (i.e., bidentate, binuclear). In the selenite/HMO system, selenite surface complexes are surrounded by two shells of Mn atoms, which could represent two different adsorption complexes or a precipitate. The first shell consists of 1.6 ± 0.4 Mn at 3.07 ± 0.01 Å, which is consistent with the selenite anion forming bidentate (mononuclear) edge-sharing complexes with Mn(II)O₆ or Mn(III)O₆ octahedra. The second shell consists of 1.4 ± 0.4 Mn at 3.49 ± 0.03 Å, consistent with selenite forming monodentate, corner-sharing complexes with Mn(II)O₆ or Mn(III)O₆ octahedra. Pauling bond valence analysis that uses the extended XAFS-derived bond lengths for As(V)-O, Se(IV)-O, and Mn-O bonds indicates that the proposed surface complexes of selenite and arsenate on HMOs should be stable. Although a nearly identical Se(IV) coordination environment is found in a crystalline Mn(II)-Se(IV) precipitate (which has a structure similar to that of MnSeO₃ · H₂O), there are significant differences in the X-ray absorption near-edge structure and extended XAFS spectra of this precipitate and the selenite/HMO sorption samples. These differences coupled with transmission electron microscopy results suggest that if a precipitate is present it lacks long-range order characteristic of crystalline MnSeO₃ · H₂O.     

Proximal stratigraphy and syn-eruptive faulting in rhyolitic Grants Ridge Tuff, New Mexico, USA

Proximal deposits of the 3.3 Ma Grants Ridge Tuff, part of a 5-km³ topaz rhyolite sequence, are composed of basal pyroclastic flow, surge, and fallout deposits, a thick central ignimbrite, and upper surge and fallout deposits. Large lithic blocks (≤2 m) of underlying sedimentary and granitic bedrock that are present in lower pyroclastic flow and fallout deposits indicate that the eruptive sequence began with explosive, conduit-excavating eruptions. The massive, nonwelded central ignimbrite displays evidence for postemplacement deformation. The upper pyroclastic surge deposits are dominated by fine ash, some beds containing accretionary lapilli, soft-sediment deformation features, and mud-coated lithic lapilli, indicating an explosive, hydromagmatic component to these later eruptions. The upper fall and surge deposits are overlain by fluvially reworked volcaniclastic deposits that truncate the primary section with a relatively planar surface. The proximal, upper pyroclastic surge and Plinian fall deposits are preserved only in small grabens (5–8 m deep and wide), where they subsided into the ignimbrite and were protected from reworking. The pyroclastic surge and fall deposits within the grabens are offset by numerous small normal faults. The offset on some faults decreases upward through the section, indicating that the faulting process may have been syn-eruptive. Several graben-bounding faults extend downward into the ignimbrite, but the uppermost, fluvially reworked tephra layers are not cut by these faults. The faulting mechanism may have been related to settling and compaction of the 60 m thick, valley-filling ignimbrite along the axis of the paleovalley. Draping surge contacts against the graben faults and brittle and soft-style disruption of the upper pyroclastic surge beds indicate that subsidence was ongoing during the emplacement of the upper eruptive sequence. Seismicity accompanying the late-stage hydromagmatic explosions may have contributed to the abrupt settling and compaction of the ignimbrite.