A modeling of the structure and favorable H-docking sites and defects for the high-pressure silica polymorph stishovite

Employing first-principles methods, the docking sites for H were determined and H, Al, and vacancy defects were modeled with an infinite periodic array of super unit cells each consisting of 27 contiguous symmetry nonequivalent unit cells of the crystal structure of stishovite. A geometry optimization of the super-cell structure reproduces the observed bulk structure within the experimental error when P1 translational symmetry was assumed and an array of infinite extent was generated. A mapping of the valence electrons for the structure displays mushroom-shaped isosurfaces on the O atom, one on each side of the plane of the OSi₃ triangle in the nonbonded region. An H atom, placed in a cell near the center of the super cell, was found to dock upon geometry optimization at a distance of 1.69 Å from the O atom with the OH vector oriented nearly perpendicular to the plane of the triangle such that the OH vector makes a angle of 91° with respect to [001]. However, an optimization of a super cell with an Al atom replacing Si and an H atom placed nearby in a centrally located cell resulted in an OH distance of 1.02 Å with the OH vector oriented perpendicular to [001] as observed in infrared studies. The geometry-optimized position of the H atom was found to be in close agreement with that (0.44, 0.12, 0.0) determined in an earlier study of the theoretical electron density distribution. The docking of the H atom at this site was found to be 330 kJ mol^–1 more stable than a docking of the atom just off the shared OO edge of the octahedra as determined for rutile. A geometry optimization of a super cell with a missing Si generated a vacant octahedra that is 20% larger than that of the SiO₆ octahedra. The valence electron density distribution displayed by the two-coordinate O atoms that coordinate the vacant octahedral site is very similar to those displayed by the bent SiOSi angles in coesite. The internal distortions induced by the defect were found to diminish rather rapidly with distance, with the structure annealing to that observed in the bulk crystal to within about three coordination spheres.     

Exploring Geomorphometry through User Generated Content: Comparing an Unsupervised Geomorphometric Classification with Terms Attached to Georeferenced Images in Great Britain

User generated content such as the georeferenced images and their associated tags found in Flickr provides us with opportunities to explore how the world is described in the non‐scientific, everyday language used by contributors. Geomorphometry, the quantitative study of landforms, provides methods to classify Digital Elevation Models (DEMs) according to attributes such as slope and convexity. In this article we compare the terms used in Flickr and Geograph in Great Britian to describe georeferenced images to a quantitative, unsupervised classification of a DEM, using a well established method, and explore the variation of terms across geomorphometric classes and space. Anthropogenic terms are primarily associated with more gentle slopes, while terms which refer to objects such as mountains and waterfalls are typical of steeper slopes. Terms vary both across and within classes, and the source of the user generated content has an influence on the type of term used with Geograph, a collection which aims to document the geography of Great Britain, dominated by features which might be observed on a map.     

The depletion of carbon by extra mixing in metal-poor giants

There is an apparent dichotomy between the metal-poor  ([Fe/H]≤−2)  yet carbon-normal giants and their carbon-rich counterparts. The former undergo significant depletion of carbon on the red giant branch after they have undergone first dredge-up, whereas the latter do not appear to experience significant depletion. We investigate this in the context that the extra mixing occurs via the thermohaline instability that arises due to the burning of  ³He  . We present the evolution of [C/Fe], [N/Fe] and  ¹²C/¹³C  for three models: a carbon-normal metal-poor star, and two stars that have accreted material from a  1.5 M_⊙  AGB companion, one having received  0.01 M_⊙  of material and the other having received  0.1 M_⊙  . We find the behaviour of the carbon-normal metal-poor stars is well reproduced by this mechanism. In addition, our models also show that the efficiency of carbon-depletion is significantly reduced in carbon-rich stars. This extra-mixing mechanism is able to reproduce the observed properties of both carbon-normal and carbon-rich stars.     

New snow metrics for a warming world

Snow is Earth's most climatically sensitive land cover type. Traditional snow metrics may not be able to adequately capture the changing nature of snow cover. For example, April 1 snow water equivalent (SWE) has been an effective index for streamflow forecasting, but it cannot express the effects of midwinter melt events, now expected in warming snow climates, nor can we assume that station-based measurements will be representative of snow conditions in future decades. Remote sensing and climate model data provide capacity for a suite of multi-use snow metrics from local to global scales. Such indicators need to be simple enough to “tell the story” of snowpack changes over space and time, but not overly simplistic or overly complicated in their interpretation. We describe a suite of spatially explicit, multi-temporal snow metrics based on global satellite data from NASA's Moderate Resolution Imaging Spectroradiometer (MODIS) and downscaled climate model output for the U.S. We describe and provide examples for Snow Cover Frequency (SCF), Snow Disappearance Date (SDD), At-Risk Snow (ARS), and Frequency of a Warm Winter (FWW). Using these retrospective and prospective snow metrics, we assess the current and future snow-related conditions in three hydroclimatically different U.S. watersheds: the Truckee, Colorado Headwaters, and Upper Connecticut. In the two western U.S. watersheds, SCF and SDD show greater sensitivity to annual differences in snow cover compared with data from the ground-based Snow Telemetry (SNOTEL) network. The eastern U.S. watershed does not have a ground-based network of data, so these MODIS-derived metrics provide uniquely valuable snow information. The ARS and FWW metrics show that the Truckee Watershed is highly vulnerable to conversion from snowfall to rainfall (ARS) and midwinter melt events (FWW) throughout the seasonal snow zone. In comparison, the Colorado Headwaters and Upper Connecticut Watersheds are colder and much less vulnerable through mid- and late-century.     

Fast lagrangian particle tracking in unstructured ocean model grids

Ocean Dynamics - Lagrangian particle tracking, based on currents derived from hydrodynamic models, is an important tool in quantifying bio-physical transports in the ocean. Particle tracking in the...     

Spectroscopy, morphometry, and photoclinometry of Titan's dunefields from Cassini/VIMS

Fine-resolution (500 m/pixel) Cassini Visual and Infrared Mapping Spectrometer (VIMS) T20 observations of Titan resolve that moon's sand dunes. The spectral variability in some dune regions shows that there are sand-free interdune areas, wherein VIMS spectra reveal the exposed dune substrate. The interdunes from T20 are, variously, materials that correspond to the equatorial bright, 5-μm-bright, and dark blue spectral units. Our observations show that an enigmatic “dark red” spectral unit seen in T5 in fact represents a macroscopic mixture with 5-μm-bright material and dunes as its spectral endmembers. Looking more broadly, similar mixtures of varying amounts of dune and interdune units of varying composition can explain the spectral and albedo variability within the dark brown dune global spectral unit that is associated with dunes. The presence of interdunes indicates that Titan's dunefields are both mature and recently active. The spectrum of the dune endmember reveals the sand to be composed of less water ice than the rest of Titan; various organics are consistent with the dunes' measured reflectivity. We measure a mean dune spacing of 2.1 km, and find that the dunes are oriented on the average in an east-west direction, but angling up to 10° from parallel to the equator in specific cases. Where no interdunes are present, we determine the height of one set of dunes photoclinometrically to be between 30 and 70 m. These results pave the way for future exploration and interpretation of Titan's sand dunes.     

Linking gold mineralization to regional-scale drivers of mineral systems using in situ U–Pb geochronology and pyrite LA-ICP-MS element mapping

Proterozoic orogens commonly host a range of hydrothermal ores that form in diverse tectonic settings at different times. However, the link between mineralization and the regional-scale tectonothermal evolution of orogens is usually not well understood, especially in areas subject to multiple hydrothermal events.Regional-scale drivers for mineral systems vary between the different classes of hydrothermal ore, but all involve an energy source and a fluid pathway to focus mineralizing fluids into the upper crust. The Mount Olympus gold deposit in the Proterozoic Capricorn Orogen of Western Australia, was regarded as an orogenic gold deposit that formed at ca. 1738 Ma during the assembly of Proterozoic Australia. However,the trace element chemistry of the pyrite crystals closely resembles those of the Carlin deposits of Nevada,with rims that display solid solution gold accompanied by elevated As, Cu, Sb, Hg, and Tl, surrounding gold-poor cores. New SHRIMP UeP b dating of xenotime intergrown with auriferous pyrite and ore-stage alteration minerals provided a weighted mean~(207) Pb*/~(206) Pb* date of 1769 ± 5 Ma, interpreted as the age of gold mineralization. This was followed by two discrete episodes of hydrothermal alteration at 1727 ± 7 Ma and 1673 ± 8 Ma. The three ages are linked to multiple reactivation of the crustal-scale Nanjilgardy Fault during repeated episodes of intracratonic reworking. The regional-scale drivers for Carlin-like gold mineralization at Mount Olympus are related to a change in tectonic regime during the final stages of the intracratonic 1820 -1770 Ma Capricorn Orogeny. Our results suggest that substantial sized Carlin-like gold deposits can form in an intracratonic setting during regional-scale crustal reworking.     

Refining the ice flow chronology and subglacial dynamics across the migrating Labrador Divide of the Laurentide Ice Sheet with age constraints on deglaciation

The Laurentide Ice Sheet was characterized by a dynamic polythermal base. However, important data and knowledge gaps have led to contrasting reconstructions in areas such as the Labrador Ice Divide. In this study, detailed fieldwork was conducted at the southeastern edge of a major landform boundary to resolve the relative ice flow chronology and constrain the evolution of the subglacial dynamics, including the migration and collapse of the Labrador Ice Divide. Surficial mapping and analysis of 94 outcrop‐scale ice flow indicators were used to develop a relative ice flow chronology. ¹⁰Be exposure ages were used with optical ages to confine the timing of deglaciation within the study area. Four phases of ice flow were identified. Flow 1 was a northeasterly ice flow preserved under non‐erosive subglacial conditions associated with the development of an ice divide. Flow 2 was a northwest ice flow, which we correlate to the Ungava Bay Ice Stream and led to a westward migration of the ice divide, preserving Flow 2 features and resulting in Flow 3's eastward‐trending indicators. Flow 4 is limited to sparse fine striations within and around the regional uplands. The new optical ages and ¹⁰Be exposure ages add to the regional geochronology dataset, which further constrains the timing of ice margin retreat in the area to around 8.0 ka. Copyright © 2019 The Authors. Journal of Quaternary Science Published by John Wiley & Sons Ltd.