Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations

The phonon dispersion and thermodynamic properties of pyrope (\(\hbox {Mg}_3\hbox {Al}_2\hbox {Si}_3\hbox {O}_{12}\)) and grossular (\(\hbox {Ca}_3\hbox {Al}_2\hbox {Si}_3\hbox {O}_{12}\) ) have been computed by using an ab initio quantum mechanical approach, an all-electron variational Gaussian-type basis set and the B3LYP hybrid functional, as implemented in the Crystal program. Dispersion effects in the phonon bands have been simulated by using supercells of increasing size, containing 80, 160, 320, 640, 1280 and 2160 atoms, corresponding to 1, 2, 4, 8, 16 and 27 \(\mathbf {k}\) points in the first Brillouin zone. Phonon band structures, density of states and corresponding inelastic neutron scattering spectra are reported. Full convergence of the various thermodynamic properties, in particular entropy (S) and specific heat at constant volume (\(C_\mathrm{{V}}\)), with the number of \(\mathbf {k}\) points is achieved with 27 \(\mathbf {k}\) points. The very regular behavior of the S(T) and \(C_\mathrm{{V}}(T)\) curves as a function of the number of \(\mathbf {k}\) points, determined by high numerical stability of the code, permits extrapolation to an infinite number of \(\mathbf {k}\) points. The limiting value differs from the 27-\(\mathbf {k}\) case by only 0.40 % at 100 K for S (the difference decreasing to 0.11 % at 1000 K) and by 0.29 % (0.05 % at 1000 K) for \(C_\mathrm{{V}}\). The agreement with the experimental data is rather satisfactory. We also address the problem of the relative entropy of pyrope and grossular, a still debated question. Our lattice dynamical calculations correctly describe the larger entropy of pyrope than grossular by taking into account merely vibrational contributions and without invoking “static disorder” of the Mg ions in dodecahedral sites. However, as the computed entropy difference is found to be larger than the experimental one by a factor of 2–3, present calculations cannot exclude possible thermally induced structural changes, which could lead to further conformational contributions to the entropy.     

Scraping and extirpating: two strategies to induce recovery of diseased Gorgonia ventalina sea fans

Coral diseases are currently playing a major role in the worldwide decline in coral reef integrity. One of the coral species most afflicted by disease in the Caribbean, and which has been the focus of much research, is the sea fan Gorgonia ventalina. There is, however, very little information regarding the capacity of sea fans to recover after being infected. The aim of this study was to compare the rehabilitation capacity of G. ventalina after diseased‐induced lesions were eliminated either by scraping or extirpating the affected area. Scraping consisted of removing any organisms overgrowing the axial skeleton from the diseased area as well as the purple tissue bordering these overgrowths using metal bristle brushes. Extirpation consisted of cutting the diseased area, including the surrounding purpled tissue, using scissors. The number of scraped colonies that fully or partially rehabilitated after being manipulated and the rates at which the sea fans whose lesions were scrapped grew back healthy tissue were compared among: (i) colonies that inhabited two sites with contrasting environmental conditions; (ii) colonies of different sizes and (iii) colonies with different ratios of area of legions to total colony area (LA/CA). Both strategies proved to be very successful in eliminating lesions from sea fans. In the case of scraping, over 51% of the colonies recovered between 80% and 100% of the lost tissue within 16 months. The number of colonies that recovered from scraping was similar among sites and among colony sizes, but differed significantly depending on the relative amount of lesion to colony area (LA/CA). When lesions were extirpated, lesions did not reappear in any of the colonies. We conclude that lesion scraping is useful for eliminating relatively small lesions (i.e. LA/CA < 10%), as these are likely to recover in a shorter period of time, whereas for relatively large lesions (LA/CA ≥ 10%) it is more appropriate to extirpate the lesion.     

Input, accumulation and cycling of materials on the continental slope off Cape Hatteras: An introduction

The studies reported in this special issue ofDeep-Sea Research are largely derived from data collected as part of programs supported by the U.S. Department of the Interior, Minerals Management Service (MMS) in response to concerns about the effect of oil and gas exploration on the largely unknown continental slope environment. Results of the MMS U.S. South Atlantic continental slope and rise program conducted off the Carolinas from Cape Hatteras to off Charleston in depths ranging from 600–3500 m identified the importance of the slope off Cape Hatteras in cycling of materials from the shelf to the deep sea. Other more detailed investigations followed which filled numerous gaps in our knowledge of the role played by such special regions of the continental slope in the global cycling of carbon and other materials.     

Plants versus streams: Their groundwater-mediated competition at “El Morro,” a developing catchment in the dry plains of Argentina

Our understanding of how groundwater mediates evapotranspiration/streamflow partitioning is still fragmented and catchment studies under changing vegetation conditions can provide a useful frame for integration. We explored this partition in a flat sedimentary dry catchment in central Argentina in which the replacement of native vegetation with rainfed crops was accompanied by the abrupt formation of groundwater-fed streams by subsurface erosion (i.e., sapping) episodes. Historical records indicated widespread water table rises (~0.3 m y⁻¹ on average). Groundwater level and stream baseflow fluctuated seasonally with minima in the warm rainy season, indicating that evaporative discharge rather than rainfall shapes saturated flows. Diurnal groundwater level fluctuations showed that plant uptake was widespread where water tables are shallow (<3 m) but restricted to deep-rooted Prosopis forests where they are deep (7–10 m). MODIS and LANDSAT NDVI revealed a long-term greening for native vegetation, new wetlands included, but not for croplands, suggesting more limited evapotranspiration-groundwater level regulation under agriculture. Close to the deepest (20 m) and most active incisions, groundwater level and greenness declined and stream baseflow showed no seasonal fluctuations, hinting decoupling from evapotranspiration. Intense ecological and geomorphological transformations in this catchment exposed the interplay of five mechanisms governing evapotranspiration/streamflow partition including (a) unsaturated uptake and both (b) riparian and (c) distributed uptake from the saturated zone by plants, as well as (d) deepening incisions and (e) sediment deposits over riparian zones by streams. Acknowledging the complex interplay of these mechanisms with groundwater is crucial to predict and manage future hydrological changes in the dry plains of South America.     

What do biphasic flow experiments reveal on the variability of exposure on alluvial fans and which implications for risk assessment result from this?

Sudden avulsions, unexpected channel migrations and backfilling phenomena are autogenic phenomena that can considerably change the propagation patterns of sediment-laden flows on alluvial fans. Once the initial and boundary conditions of the hazard scenario with a given return period are determined, the assessment of the associated exposed areas is based on one numerical, essentially deterministic, process simulation which may not adequately capture the underlying process variability. We generated sediment-laden flows on an experimental alluvial fan by following a “similarity-of-process concept”. Specifically, we considered a convexly shaped alluvial fan model layout featuring a curved guiding channel. As loading conditions, we defined a reference, an increased and a reduced level for the released water volume and the predisposed solid fraction, respectively. Further, we imposed two different stream power regimes and accomplished, for each factor combination, eight experimental runs. The associated exposure areas were recorded by video and mapped in a GIS. We then analysed exposure data and determined exposure probability maps superposing the footprints of the eight repetitions associated with each experimental loading condition. The patterns of exposure referred to the specific loading conditions showed a noticeable variability related to the main effects of the total event volume, the solid fraction, the interactions between them, and the imposed stream power in the feeding channel. Our research suggests that adopting a probabilistic notion of exposure in risk assessment and mitigation is advisable. Further, a major challenge consists in adapting numerical codes to better reflect the stochastics of process propagation for more reliable flood hazard assessments.

     

Observations of Comet 9P/Tempel 1 around the Deep Impact event by the OSIRIS cameras onboard Rosetta

The OSIRIS cameras on the Rosetta spacecraft observed Comet 9P/Tempel 1 from 5 days before to 10 days after it was hit by the Deep Impact projectile. The Narrow Angle Camera (NAC) monitored the cometary dust in 5 different filters. The Wide Angle Camera (WAC) observed through filters sensitive to emissions from OH, CN, Na, and OI together with the associated continuum. Before and after the impact the comet showed regular variations in intensity. The period of the brightness changes is consistent with the rotation period of Tempel 1. The overall brightness of Tempel 1 decreased by about 10% during the OSIRIS observations. The analysis of the impact ejecta shows that no new permanent coma structures were created by the impact. Most of the material moved with . Much of it left the comet in the form of icy grains which sublimated and fragmented within the first hour after the impact. The light curve of the comet after the impact and the amount of material leaving the comet ( of water ice and a presumably larger amount of dust) suggest that the impact ejecta were quickly accelerated by collisions with gas molecules. Therefore, the motion of the bulk of the ejecta cannot be described by ballistic trajectories, and the validity of determinations of the density and tensile strength of the nucleus of Tempel 1 with models using ballistic ejection of particles is uncertain.     

3D NIR spectroscopy at subarcsecond resolution

We present a scientific case approached through high quality 3D NIR spectroscopy performed with CIRPASS, attached to the Gemini South telescope. A binary mass concentration at the nucleus of the galaxy M 83 was suggested by Thatte et al. [A&A 364 (2000) L47] and Mast et al. [BAAA 45 (2002) 98. Astroph#0505264] determined the possible position of the hidden secondary mass concentration with 2D H-alpha kinematics. The preliminary results of the NIR study presented here are based in almost 1500 spectra centered in the wavelength 1.3 μm, with a spectral resolving power of 3200. They allow us to unveil, with 0.36″ (6.4 pc) sampling and subarcsecond resolution, the velocity field in a region of 13″ × 9″ around the optical nucleus. We confirm that the optical nucleus is not located at the most important center of symmetry of the ionized gas velocity field. The largest black hole that could fit to the circular motion in this kinematic center should have a mass not larger than 3 × 10⁶(sin i)⁻¹ M solar masses.