Microstructural constraints on the mechanisms of the transformation to reidite in naturally shocked zircon

Zircon (ZrSiO₄) is used to study impact structures because it responds to shock loading and unloading in unique, crystallographically controlled manners. One such phenomenon is the transformation of zircon to the high-pressure polymorph, reidite. This study quantifies the geometric and crystallographic orientation relationships between these two phases using naturally shocked zircon grains. Reidite has been characterized in 32 shocked zircon grains (shocked to stages II and III) using a combination of electron backscatter diffraction (EBSD) and focused ion beam cross-sectional imaging techniques. The zircon-bearing clasts were obtained from within suevite breccia from the Nördlingen 1973 borehole, close to the center of the 14.4 Ma Ries impact crater, in Bavaria, Germany. We have determined that multiple sets (up to 4) of reidite lamellae can form in a variety of non-rational habit planes within the parent zircon. However, EBSD mapping demonstrates that all occurrences of lamellar reidite have a consistent interphase misorientation relationship with the host zircon that is characterized by an approximate alignment of a {100}_zircon with a {112}_reidite and alignment of a {112}_zircon with a conjugate {112}_reidite. Given the tetragonal symmetry of zircon and reidite, we predict that there are eight possible variants of this interphase relationship for reidite transformation within a single zircon grain. Furthermore, laser Raman mapping of one reidite-bearing grain shows that moderate metamictization can inhibit reidite formation, thereby highlighting that the transformation is controlled by zircon crystallinity. In addition to lamellar reidite, submicrometer-scale granules of reidite were observed in one zircon. The majority of reidite granules have a topotaxial alignment that is similar to the lamellar reidite, with some additional orientation dispersion. We confirm that lamellar reidite likely forms via a deviatoric transformation mechanism in highly crystalline zircon, whereas granular reidite forms via a reconstructive transformation from low-crystallinity ZrSiO₄ within the reidite stability field. The results of this study further refine the formation mechanisms and conditions of reidite transformation in naturally shocked zircon.     

Electrochemical Ozone Production as an Environmentally Friendly Technology for Water Treatment

Perspectives, advances and environmental aspects concerning electrochemical ozone production applied to water purification are presented and discussed in relation to the conventional corona process (silent electric discharge). Ozone generated using a laboratory‐made electrochemical reactor was applied for the discoloration/degradation of dyes used in the Brazilian textile industry and for degradation of endocrine disruptors. A constant ozone load of 0.35 ± 0.02 g/h was used throughout. The study, concerning color removal from dye solutions, revealed that total discoloration is rapidly achieved. The degradation rate of the textile dyes evaluated by TOC is little affected by the dye composition and considerably influenced by the pH and ozonation time. Analysis of the COD/TOC‐ratio indicates that ozonation increases oxidation feasibility of the organic matter (dye by‐products) when compared to the original compounds. Ozonation of mixed aqueous solutions containing different endocrine disruptors revealed these compounds are totally degraded with a very high removal rate.     

Relationships between hydrosedimentary processes and occurrence of mercury-resistant bacteria (merA) in estuary mudflats (Seine, France)

The Seine estuary (France) is one of the world's macrotidal systems that is most contaminated with heavy metals. To study the mercury-resistant bacterial community in such an environment, we have developed a molecular tool, based on competitive PCR, enabling the quantification of Gram-negative merA gene abundance. The occurrence of the Gram-negative merA gene in relation with the topology (erosion/deposit periods) and the mercury contamination of three contrasted mudflats was investigated through a multidisciplinary approach and compared with a non-anthropized site (Authie, France). The higher abundance of the Gram-negative merA gene in the Seine estuary mudflats indicates a relationship between the degree of anthropization and the abundance of the merA gene in the mudflat sediments. In the Seine mudflats, the maxima of abundance are always located in fresh sediment deposits. Therefore, the abundance is closely related with the hydrosedimentary processes, which thus seem to be determining factors in the occurrence of the Gram-negative merA gene in the surface sediments of the Seine's mudflat.     

Faecal-indicator bacteria and sedimentary processes in estuarine mudflats (Seine, France)

Over a three-year period, quantification of faecal indicators and the molecular detection of Escherichia coli and Salmonella were monitored in sediments from three contrasting mudflats of the Seine estuary (France). The elevation of the mudflat surface was monitored concurrently using a high-resolution altimeter. During the period of the study, estuarine mudflats were areas of deposition for faecal-indicator bacteria and were mainly controlled by sedimentary processes. In the intertidal freshwater and subtidal mudflats, the highest abundances of faecal-indicator bacteria were counted during a depositional period. Maximum levels were observed in the freshwater mudflats during periods of high flow: thermotolerant coliforms: 3.9 x 10(4) cfu cm(-2), enterococci: 1.2 x 10(4) cfu cm(-2), Clostridium perfringens spores: 9.8 x 10(5) spores cm(-2). Loss of culturability of enteric bacteria in sediment microcosms demonstrated the remediatory capacity of the mudflats, even if they might be a secondary source of bacteria-forming spores to the water column through erosion and resuspension events.     

A Database for Volatile Organic Compounds

The database for volatile organic compounds (VOC data base) was created with the aim of providing an overview of tropospheric hydrocarbon measurements. The data base contains 202 substances, for which atmospheric and useful kinetic data such as rate coefficients, photolysis frequencies, mixing ratios, emission data and ozone formation potentials are compiled from available literature. The database file can be downloaded without charge from http://www.physchem.uni-wuppertal.de/voc-database. Registered users will be informed about the appearance of updates.     

Testing WRF capability in simulating the atmospheric water cycle over Equatorial East Africa

Uncertainties in simulating the seasonal mean atmospheric water cycle in Equatorial East Africa are quantified using 58 one-year-long experiments performed with the Weather Research and Forecasting model (WRF). Tested parameters include physical parameterizations of atmospheric convection, cloud microphysics, planetary boundary layer, land-surface model and radiation schemes, as well as land-use categories (USGS vs. MODIS), lateral forcings (ERA-Interim and ERA40 reanalyses), and domain geometry (size and vertical resolution). Results show that (1) uncertainties, defined as the differences between the experiments, are larger than the biases; (2) the parameters exerting the largest influence on simulated rainfall are, in order of decreasing importance, the shortwave radiation scheme, the land-surface model, the domain size, followed by convective schemes and land-use categories; (3) cloud microphysics, lateral forcing reanalysis, the number of vertical levels and planetary boundary layer schemes appear to be of lesser importance at the seasonal scale. Though persisting biases (consisting of conditions that are too wet over the Indian Ocean and the Congo Basin and too dry over eastern Kenya) prevail in most experiments, several configurations simulate the regional climate with reasonable accuracy.     

How well are daily intense rainfall events captured by current climate models over Africa?

The ability of state-of-the-art climate models to capture the mean spatial and temporal characteristics of daily intense rainfall events over Africa is evaluated by analyzing regional climate model (RCM) simulations at 90- and 30-km along with output from four atmospheric general circulation models (AGCMs) and coupled atmosphere–ocean general circulation models (AOGCMs) of the Climate Model Intercomparison Project 5. Daily intense rainfall events are extracted at grid point scale using a 95th percentile threshold approach applied to all rainy days (i.e., daily rainfall ≥1 mm day^?1) over the 1998–2008 period for which two satellite-derived precipitation products are available. Both RCM simulations provide similar results. They accurately capture the spatial and temporal characteristics of intense events, while they tend to overestimate their number and underestimate their intensity. The skill of AGCMs and AOGCMs is generally similar over the African continent and similar to previous global climate model generations. The majority of the AGCMs and AOGCMs greatly overestimate the frequency of intense events, particularly in the tropics, generally fail at simulating the observed intensity, and systematically overestimate their spatial coverage. The RCM performs at least as well as the most accurate global climate model, demonstrating a clear added value to general circulation model simulations and the usefulness of regional modeling for investigating the physics leading to intense events and their change under global warming.     

Sensitivity of coastal polynyas and high-salinity shelf water production in the Ross Sea,Antarctica, to the atmospheric forcing

Coastal polynyas around Antarctica are the place of intense air–sea exchanges which eventually lead to the formation of high-salinity shelf waters (HSSW) over continental shelves. Here, the influence of atmospheric forcing on coastal polynyas in the Ross Sea is studied by contrasting the response of a regional ocean/sea-ice circulation model to two different atmospheric forcing sets. A first forcing (DFS3) is based on ERA40 atmospheric surface variables and satellite products. A second forcing (MAR) is produced on the basis of ERA40 with a dynamical downscaling procedure. As compared to DFS3, MAR forcing is shown to improve substantially the representation of small-scale patterns of coastal winds with stronger katabatic winds along the coast. The response of the ocean/sea-ice model to the two forcing sets shows that the MAR forcing improves substantially the geographical distribution of polynyas in the Ross Sea. With the MAR forcing, the polynya season is also shown to last longer with a greater ice-production rate. As a consequence, a greater flow of dense water out of the polynyas is found with the MAR forcing and the properties of HSSW are notably improved as compared to the DFS3 forcing. The factors contributing to the activity of Terra Nova Bay and Ross Ice Shelf polynyas in the model are studied in detail. The general picture that emerges from our simulations is that the properties of HSSW are mostly set by brine rejection when the polynya season resume. We found that coastal polynyas in the Ross Sea export about 0.4 Sv of HSSW which then flows along three separate channels over the Ross Shelf. A 6-month time lag is observed between the peak of activity of polynyas and the maximum transport across the sills in the channels with a maximum transport of about 1 Sv in February. This lag corresponds to the time it takes to the newly formed HSSW to spread from the polynya to the sills (at a speed of nearly 2 cm s⁻¹).     

Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments

We predict the IR-TO, IR-LO and Raman modes (wave numbers and intensities) of magnesite (MgCO₃) up to 50 GPa, at T = 0 K, using the density-functional perturbation theory up to a third order perturbation, under the harmonic assumption. The predicted IR-TO and Raman mode wave numbers, the mode Grüneisen parameters and the Davydov splittings are systematically compared with experimental data for all modes up to the pressures of 10–30 GPa and for some modes up to 50 GPa. Existing experiments allow extending this comparison only to IR-LO wave numbers of the E _u (ν₃) asymmetric-stretch mode, confirming the odd experimental behavior of this mode at very high pressures. Predicted IR-TO, IR-LO and Raman intensities up to 50 GPa are just tabulated, but data are missing for their comparison with precise experiments. However, the generally good agreement observed between numerical results and experimental data, when their comparison is possible, suggests that first-principles methods are a major help to predict the entire spectrum up to very high pressures.