GGR Biennial Critical Review: Analytical Developments Since 2010

Advances in the chemical and isotopic characterisation of geological and environmental materials can often be ascribed to technological improvements in analytical hardware. Equally, the creation of novel methods of data acquisition and interpretation, including access to better reference materials, can also be crucial components enabling important breakthroughs. This biennial review highlights key advances in either instrumentation or data acquisition and treatment, which have appeared since January 2010. This review is based on the assessments by scientists prominent in each of the given analytical fields; it is not intended as an exhaustive summary, but rather provides insight from experts of the most significant advances and trends in their given field of expertise. In contrast to earlier reviews, this presentation has been formulated into a unified work, providing a single source covering a broad spectrum of geoanalytical techniques. Additionally, some themes that were not previously emphasised, in particular thermal ionisation mass spectrometry, accelerator‐based methods and vibrational spectroscopy, are also presented in detail.     

Crystal-structure properties and the molecular nature of hydrostatically compressed realgar

The structure of realgar, As₄S₄, and its evolution with pressure have been investigated employing in situ X-ray diffraction, optical absorption and vibrational spectroscopy on single-crystal samples in diamond-anvil cells. Compression under true hydrostatic conditions up to 5.40 GPa reveals equation-of-state parameters of V ₀ = 799.4(2.4) ų and K ₀ = 10.5(0.4) GPa with \(K_0^\prime\) = 8.7. The remarkably high compressibility can be attributed to a denser packing of the As₄S₄ molecules with shortening of the intermolecular bonds of up to 12 %, while the As₄S₄ molecules remain intact showing rigid-unit behaviour. From ambient pressure to 4.5 GPa, Raman spectra exhibit a strong blue shift of the Raman bands of the lattice-phonon regime of 24 cm^–1, whereas frequencies from intramolecular As-S stretching modes show negligible or no shifts at all. On pressurisation, realgar shows a continuous and reversible colour change from bright orange over deep red to black. Optical absorption spectroscopy shows a shift of the absorption edge from 2.30 to 1.81 eV up to 4.5 GPa, and DFT calculations show a corresponding reduction in the band gap. Synchrotron-based measurements on polycrystalline samples up to 45.5 GPa are indexed according to the monoclinic structure of realgar.     

Shear Band Formation in Numerical Simulations Applying a Continuum Damage Rheology Model

In seismically active regions, faults nucleate, propagate, and form networks that evolve over time. To simulate crustal faulting processes, including the evolution of fault-zone properties, a rheological model must incorporate concepts such as damage rheology that describe the various stages of the seismic cycle (strain localization, subcritical crack growth and macroscopic failure) while accounting for material degradation and healing and off-fault deformation. Here we study the fundamental patterns of strain-localisation within the framework of a continuum damage rheology by performing a shear band analysis (linear instability analysis) and comparing predictions of shear band orientations with numerical results of the nonlinear problem. We find (analytically and numerically) that the angle between the shear band and the less compressive (transverse) direction is between 47° in compression tests with a strain ratio of 0.25 (highly confined compression test), and 60° for a strain ratio higher than 1.4 (axial compression and transverse extension). In addition we find that shear bands exhibit local dilation (I ₁ > 0) in a wide range of strain ratios excluding only simulations with highly confined compression (which yield compacting shear bands or non-localized deformation). Finally, we discuss the applicability of the damage model for simulating deformation in the seismogenic, brittle crust.     

The Influence of the Prandtl Number on the Style of Vigorous Thermal Convection

The effect of the Prandtl number on convection in a planar three-dimensional geometry is investigated in this study. We have employed a numerical scheme to integrate the governing equations. Differently from previous studies we have chosen stress-free boundaries. Experiments have been performed at a Rayleigh number of Ra = 10 6 for Prandtl numbers (Pr) ranging from 0.025 to 100. We have further conducted one experiment in the limiting case of infinite Prandtl number. Despite the differences in the geometry and the boundary conditions, as compared to other studies, we find a similar transition in the dynamics of the flow when the Prandtl number is increased. While the velocity and the temperature structure show diffusive character at low Pr, sharp thermal boundary layers form at high Pr. The heat transport efficiency increases with Pr until a transition value is reached, from there on Nu behaves almost asymptotically. The transition can not be caused by a change in hierarchies between velocity and thermal boundary layers, as suggested in other studies. Due to the stress-free boundaries, a velocity boundary layer does not exist. We observe that the toroidal part of the flow is strong at low Pr and looses its strength with increasing Pr, thus it is likely to be responsible for the transition. In a further chapter we demonstrate that due to the neglect of the toroidal part in two-dimensional calculations at low Pr results are obtained which are misleading, even in a qualitative sense. Infinite Pr results from 2D calculations closely resemble the dynamics of fully 3D flows.     

Automatic reasoning for geometric constraints in 3D city models with uncertain observations

This paper presents a novel approach to automated geometric reasoning for 3D building models. Geometric constraints like orthogonality or parallelity play a prominent role in man-made objects such as buildings. Thus, constraint based modelling, that specifies buildings by their individual components and the constraints between them, is a common approach in 3D city models. Since prototyped building models allow one to incorporate a priori knowledge they support the 3D reconstruction of buildings from point clouds and allow the construction of virtual cities. However, high level building models have a high degree of complexity and consequently are not easily manageable. Interactive tools are needed which facilitate the development of consistent models that, for instance, do not entail internal logical contradictions. Furthermore, there is often an interest in a compact, redundancy-free representation. We propose an approach that uses algebraic methods to prove that a constraint is deducible from a set of premises. While automated reasoning in 2D models is practical, a substantial increase in complexity can be observed in the transition to the three-dimensional space. Apart from that, algebraic theorem provers are restricted to crisp constraints so far. Thus, they are unable to handle quality issues, which are, however, an important aspect of GIS data and models. In this article we present an approach to automatic 3D reasoning which explicitly addresses uncertainty. Hereby, our aim is to support the interactive modelling of 3D city models and the automatic reconstruction of buildings. Geometric constraints are represented by multivariate polynomials whereas algebraic reasoning is based on Wu’s method of pseudodivision and characteristic sets. The reasoning process is further supported by logical inference rules. In order to cope with uncertainty and to address quality issues the reasoner integrates uncertain projective geometry and statistical hypothesis tests. Consequently, it allows one to derive uncertain conclusions from uncertain premises. The quality of such conclusions is quantified in a way which is sound both from a logical and a statistical perspective.     

Improved antenna phase center models for GLONASS

Thanks to the increasing number of active GLONASS satellites and the increasing number of multi-GNSS tracking stations in the network of the International GNSS Service (IGS), the quality of the GLONASS orbits has become significantly better over the last few years. By the end of 2008, the orbit RMS error had reached a level of 3–4 cm. Nevertheless, the strategy to process GLONASS observations still has deficiencies: one simplification, as applied within the IGS today, is the use of phase center models for receiver antennas for the GLONASS observations, which were derived from GPS measurements only, by ignoring the different frequency range. Geo++ GmbH calibrates GNSS receiver antennas using a robot in the field. This procedure yields now separate corrections for the receiver antenna phase centers for each navigation satellite system, provided its constellation is sufficiently populated. With a limited set of GLONASS calibrations, it is possible to assess the impact of GNSS-specific receiver antenna corrections that are ignored within the IGS so far. The antenna phase center model for the GLONASS satellites was derived in early 2006, when the multi-GNSS tracking network of the IGS was much sparser than it is today. Furthermore, many satellites of the constellation at that time have in the meantime been replaced by the latest generation of GLONASS-M satellites. For that reason, this paper also provides an update and extension of the presently used correction tables for the GLONASS satellite antenna phase centers for the current constellation of GLONASS satellites. The updated GLONASS antenna phase center model helps to improve the orbit quality.     

The climate of Carpathian Region in the 20th century based on the original and modified Holdridge life zone system

The Holdridge life zone system has already been used a number of times for analysing the effects of climate change on vegetation. But a criticism against the method was formulated that it cannot interpret the ecotones (e.g. forest steppe). Thus, in this paper transitional life zones were also determined in the model. Then, both the original and modified life zone systems were applied for the climatic fields of database CRU TS 1.2. Life zone maps were defined in the Carpathian Region (43.5–50.5° N, 15.5–28° E) for each of five 20-year periods between 1901 and 2000. We estimated correctness of the result maps with another vegetation map using Cohen’s Kappa statistic. Finally, temporal changes in horizontal and vertical distribution of life zones were investigated. The coverage of boreal region decreased with 59.46% during the last century, while the warm temperate region became almost two and a half larger (257.36%). The mean centres of those life zones, which were not related to mountains, shifted northward during the investigation period. In case of the most abundant life zone types, the average distribution elevation increased. Using the modified model, the potential distribution of forest steppe could be also identified.     

Platinum group elements in impactites of the ICDP Chicxulub drill core Yaxcopoil‐1: Are there traces of the projectile?

Abstract— This study presents results of platinum group element (PGE) analyses of impactites from the Yaxcopoil‐1 (Yax‐1) and Yucatán 6 drill cores of the 180 km‐diameter Chicxulub crater. These are the main elements used for projectile identification. They were determined by nickel sulfide fire assay combined with inductively coupled plasma mass spectrometry. The concentration of PGE in the samples are low. The concentration patterns of the suevite samples resemble the pattern of the continental crust. We conclude that any meteoritic fraction in these samples is below 0.05%. A syn‐ and post‐impact modification of the PGE pattern from meteoritic toward a continental crust pattern is very unlikely. The globally distributed fallout at the Cretaceous‐Tertiary (K/T) boundary, however, has high PGE concentrations. Therefore, the lack of a significant meteoritic PGE signature in the crater is not an argument for a PGE‐poor impactor. Taking the results of three‐dimensional numerical simulations of the Chicxulub event into account, the following conclusions are drawn: 1) The main fraction of the impactor was ejected into and beyond the stratosphere, distributed globally, and deposited in the K/T boundary clay; and 2) the low amount of projectile contamination in the Yax‐1 lithologies may reflect an oblique impact. However, the role of volatiles in the mixing process between projectile and target is not well‐understood and may also have played a fundamental role.     

First Results from ISO Spectra of Supernova Remnants Heavily Interacting with the ISM

ISO spectra of the supernova remnant RCW103 are presented. This object is the prototype of a SNR shock heavily interacting with dense ISM (probably a molecular cloud). The spectra are dominated by prominent lines and show very little continuum at λ < 40 μm suggesting that the 12 and 25 μm IRAS emission from these types of remnant could be dominated by lines rather than continuum emission from warm dust heated by the shock as generally believed. The ISO data provide for the first time a simple and reliable estimate of the gas phase abundances of Si and Fe which are found to be close to solar relative to non refractory species such as Ne, S and Ar. This indicates that the shock is very effective in destroying the ISM dust and may therefore explain the absence of warm dust behind the shock. Like the optical Nickel lines, [NiII]6.63 μm yields Ni/Fe abundances a factor ≥ 10 above solar which we conclude results from a large underestimation of the computed Ni+ collision strengths. This revised version was published online in August 2006 with corrections to the Cover Date.     

Improving trajectory estimation using 3D city models and kinematic point clouds

Accurate and robust positioning of vehicles in urban environments is of high importance for autonomous driving or mobile mapping. In mobile mapping systems, a simultaneous mapping of the environment using laser scanning and an accurate positioning using global navigation satellite systems are targeted. This requirement is often not guaranteed in shadowed cities where global navigation satellite system signals are usually disturbed, weak or even unavailable. We propose a novel approach which incorporates prior knowledge (i.e., a 3D city model of the environment) and improves the trajectory. The recorded point cloud is matched with the semantic city model using a point‐to‐plane iterative closest point method. A pre‐classification step enables an informed sampling of appropriate matching points. Random forest is used as classifier to discriminate between facade and remaining points. Local inconsistencies are tackled by a segmentwise partitioning of the point cloud where an interpolation guarantees a seamless transition between the segments. The general applicability of the method implemented is demonstrated on an inner‐city data set recorded with a mobile mapping system.