Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite

The physical properties of the hydrous phyllosilicate lizardite have been investigated by atomistic simulation using the GULP code based on transferable semi-empirical interatomic potentials. Lizardite behavior was first investigated during structure relaxation at room temperature. The Helmholtz free energy is minimum for an equilibrium structure that is in agreement with experiment. The bulk, shear, and Young modulii for lizardite were calculated along with the Poisson ratio. From the shear and bulk modulii, we also calculated translational and longitudinal acoustic wave velocities that are important quantities for tectonophysics models. As expected, lizardite is stiffer in the a direction parallel to the layers than in the c perpendicular direction; the variation of the unit cell parameters with pressure is in good agreement with experiment. The cohesive energy between two successive layers along c direction was calculated at 0.33 eV (i.e., 0.11 eV per OH bond) in good agreement with recent ab initio calculations. Upon pressure and temperature variations, we evidenced that structural changes are mainly pressure induced; pressure being accommodated by a decrease of the c parameter up to 10 GPa. We also found that the change of slope in the derivative of the c cell parameter with respect to pressure occurring around 2 GPa originates from the bending of the interlayer hydroxyl groups with respect to the layer normal direction.     

Isotopic signatures of deposition and transformation of Lower Cambrian saliferous rocks in the Irkutsk Amphitheater: Communication 3. Carbon and oxygen isotopic compositions in carbonates

In previous communications based on the study of sulfur and strontium, we showed that Lower Cambrian rocks of the Irkutsk Amphitheater underwent a significant epigenetic transformation. All postsedimentary alterations of rocks are related to the influence of water solutions that provoke the direct (physical) dissolution of material and its chemical transformation. In particular, an appreciable portion of anhydrites disappeared from the section due to reduction. Probably, these processes took place several times in the past and they are continuing at present. A similar conclusion was deduced from the strontium isotopic composition of carbonate rocks. Their strontium isotopic composition is usually shifted relative to the primary composition, although the prevalence of sulfate and carbonate rocks in the section promotes the stability of strontium isotopic composition with respect to secondary alterations. The carbon isotope system is even more stable due to the abundance of carbonate rocks in the section. This circumstance is probably responsible for the incapacity of isotope data to serve as obvious evidence of the epigenetic transformation of carbonates. The major elements of the evolution of carbon isotope signature could be retained since the sedimentation stage.     

Equation of state of MgGeO3 perovskite to 65 GPa: comparison with the post-perovskite phase

The equation of state of MgGeO₃ perovskite was determined between 25 and 66 GPa using synchrotron X-ray diffraction with the laser-heated diamond anvil cell. The data were fit to a third-order Birch–Murnaghan equation of state and yielded a zero-pressure volume (V ₀) of 182.2 ± 0.3 Å³ and bulk modulus (K ₀) of 229 ± 3 GPa, with the pressure derivative (K′₀ = (?K ₀/?P) _T ) fixed at 3.7. Differential stresses were evaluated using lattice strain theory and found to be typically less than about 1.5 GPa. Theoretical calculations were also carried out using density functional theory from 0 to 205 GPa. The equation of state parameters from theory (V ₀ = 180.2 Å³, K ₀ = 221.3 GPa, and K′₀ = 3.90) are in agreement with experiment, although theoretically calculated volumes are systematically lower than experiment. The properties of the perovskite phase were compared to MgGeO₃ post-perovskite phase near the observed phase transition pressure (～65 GPa). Across the transition, the density increased by 2.0(0.7)%. This is in excellent agreement with the theoretically determined density change of 1.9%; however both values are larger than those for the (Mg,Fe)SiO₃ phase transition. The bulk sound velocity change across the transition is small and is likely to be negative [?0.5(1.6)% from experiment and ?1.2% from theory]. These results are similar to previous findings for the (Mg,Fe)SiO₃ system. A linearized Birch–Murnaghan equation of state fit to each axis yielded zero-pressure compressibilities of 0.0022, 0.0009, and 0.0016 GPa^?1 for the a, b, and c axis, respectively. Magnesium germanate appears to be a good analog system for studying the properties of the perovskite and post-perovskite phases in silicates.     

New data on Sr-and C-isotopic chemostratigraphy of the Upper Riphean type section (Southern Urals)

New data on Sr-and C-isotopic systematics of carbonate rocks from the Upper Riphean stratotype (Karatau Group of the southern Urals) are obtained for several southwestern sections of the Bashkirian meganticlinorium, which have not been studied before. The results obtained supplement the Sr-and C-isotopic information for the group upper horizons thus detailing chemostratigraphic characterization of the entire succession. Limestone and dolostone samples used to analyze the Sr isotope composition satisfy strict geochemical criteria of the isotopic system retentivity and have been subjected to preliminary treatment in ammonium acetate to remove secondary carbonate phases. Data on 255 samples of carbonate rocks (171 studied for the first time) show that δ¹³C value varies in the Karatau Group succession from ?2.8 to +5.9 ‰ V-PDB with several in-phase excursions from the general trend in all the sections studied in the area 90 × 130 km. The δ¹³C variation trend demarcates several levels in the carbonate succession of the Karatau Group suitable for objectives of regional stratigraphy and for C-isotope chemostratigraphic subdivision of the Upper Riphean. The results of Sr isotopic analysis of 121 samples (51 unstudied before) from the Karatau Group imply that rocks in its lower part (the Katav Formation and basal horizon of the Inzer Formation) experienced considerable secondary alterations, while limestones and dolostones of the overlying interval of the group are frequently unaltered. In the “best” samples satisfying geochemical criteria of the isotopic system retentivity, the ⁸⁷Sr/⁸⁶Sr initial ratio increases from 0.70521–0.70532 in the lower Inzer deposits to 0.70611 in the upper Min’yar carbonates, decreasing to <0.70600 near the top of the latter. Above the regional hiatus separating the Min’yar and Uk formation, this ratio grows from 0.70533 to 0.70605–0.70609 in the limestone succession of the last formation.     

Assessment of sand encroachment in Kuwait using GIS

Assessment of sand encroachment in Kuwait using Geographical Information System (GIS) technology has been formulated as a Multi-Criteria Decision Making problem. The Delphi method and Analytical Hierarchy Process were adopted as evaluating techniques, in which experts’ judgments were analyzed for objectively estimating and weighting control factors. Seven triggering factors, depicted in the form of maps, were identified and ordered according to their priority. These factors are (1) wind energy; (2) surface sediment; (3) vegetation density; (4) land use; (5) drainage density; (6) topographic change and (7) vegetation type. The factor maps were digitized, converted to raster data and overlaid to determine their possible spatial relationships. Applying a susceptibility model, a map of sand encroachment susceptibility in Kuwait was developed. The map showed that the areas of very high and high sand encroachment susceptibility are located within the main corridor of sand pathway that coincides with the northwesterly dominant wind direction.     

Elastic properties of granulite facies rocks of Mahabalipuram, Tamil Nadu, India

Compressional and shear wave velocities and attenuation measurements have been carried out in some of the borehole samples of acidic, basic and intermediate granulites of Mahabalipuram, Tamil Nadu, India. The results have been obtained at ambient conditions using ‘time-of-flight’ pulse transmission technique at 1.0 MHz frequency. The results show linear relationships between velocity and density, and velocity and attenuation properties of the rocks. The acidic granulites show lower velocities and higher attenuation than the intermediate and basic granulites. The average values of the Poisson’s ratio of acidic, intermediate and basic granulites have been found to be 0.210, 0.241 and 0.279 respectively. The variations in velocities and attenuation in these low porosity crystalline rocks are found to be strongly influenced by their mineral composition. The laboratory velocity data (extrapolated to high pressure) of the present study and the published field velocity data from deep seismic sounding studies indicate that these granulite facies rocks may belong to mid-crustal depths only.     

Mineralogy and PT formation conditions of lead-zinc ore at the Dzhimidon deposit, north Ossetia

The mineralogy and PT formation conditions of the Dzhimidon Pb-Zn deposit in the Sadon ore district are considered. The deposit is localized in metamorphic rocks of the Buron Formation, which pertain to the pre-Jurassic basement (lower structural stage) and are cut through by Upper Paleozoic granitoids, and in the Lower Jurassic terrigenous sequence (upper structural stage). Orebodies as quartz-sulfide veins are mainly hosted in the metamorphic rocks. Galena, sphalerite, chalcopyrite, pyrite, pyrrhotite, and arsenopyrite are the most abundant sulfides, while quartz, carbonates, chlorite, sericite, and feldspar are gangue minerals. The bismuth mineralization identified at this deposit for the first time is represented by diverse phases of the Ag-Pb-Bi-S system. Five stages of the ore deposit formation are recognized: a premineral stage (quartz-feldspar), three ore-bearing stages (pyrite-arsenopyrite, pyrrhotite-chalcopyrite-sphalerite, and arsenopyrite-sphalerite-galena), and a postmineral stage (quartz-calcite); each stage comprises one or several mineral assemblages. The study of fluid inclusions in quartz, calcite, and sphalerite of the premineral, ore-forming, and postmineral stages has shown that the ore was deposited mainly from Na chloride solution with a salinity varying from >22 to <1.0 wt % NaCl equiv at a temperature from 460 to ～120°C and 430–290 bars pressure. The third stage was characterized by an abrupt increase in temperature and by the appearance of Mg(Fe,Ca) chloride solutions equally with Na chloride fluids, presumably owing to the emplacement of granite porphyry.     

Karst groundwater protection in the Kupa River catchment area and sustainable development

One of the most significant water resources in the Republic of Croatia is the catchment area of the Kupa River, located in the region bordering the Republic of Slovenia. About 88% of the total amount of water in this catchment originates in Croatia and just 12% from Slovenia; therefore, the largest part of the catchment area (about 1000 km²) is on the Croatian side of the border. It is a typical karst area of the Dinarides with aquifers characterized by a relatively rapid water exchange, high groundwater flow velocities and aquifers open to human impact from the surface. Consequently, the aquifers are highly vulnerable and at risk. Due to the availability of large quantities of high-quality spring water (about 6 m³/s), the entire area has a strategic importance within the context of any future development strategy pertaining to the western part of Croatia. The catchment area on the Croatian side was investigated using a wide range of research methods that included a classical hydrogeological approach, the detailed hydrologic calculation of water balance to the hydrogeochemical analyses and modelling. The objective was to determine protection zones and protection measures for the whole area. The difficulties are increased due to the fact that the karst catchment area is crossed by major traffic corridors, oil pipelines and a railway and that many settlements and a highly developed wood industry are present. The combination of protecting water resources with adequate prevention measures and necessary remedial activities that should satisfy the very strict requirements necessary for the protection of the karst aquifers while still allowing for present and future human activities is difficult – but not impossible – to achieve. One good example is the present highway with a closed dewatering system and waste water treatment before the water passes into the karst underground system.