Accuracy assessment of near-shore bathymetry information retrieved from Landsat-8 imagery

The improvement in the capabilities of Landsat-8 imagery to retrieve bathymetric information in shallow coastal waters was examined. Landsat-8 images have an additional band named coastal/aerosol, Band 1: 435–451 nm in comparison with former generation of Landsat imagery. The selected Landsat-8 operational land image (OLI) was of Chabahar Bay, located in the southern part of Iran (acquired on February 22, 2014 in calm weather and relatively low turbidity). Accurate and high resolution bathymetric data from the study area, produced by field surveys using a single beam echo-sounder, were selected for calibrating the models and validating the results. Three methods, including traditional linear and ratio transform techniques, as well as a novel proposed integrated method, were used to determine depth values. All possible combinations of the three bands [coastal/aerosol (CB), blue (B), and green (G)] have been considered (11 options) using the traditional linear and ratio transform techniques, together with five model options for the integrated method. The accuracy of each model was assessed by comparing the determined bathymetric information with field measured values. The standard error of the estimates, correlation coefficients (R ² ) for both calibration and validation points, and root mean square errors (RMSE) were calculated for all cases. When compared with the ratio transform method, the method employing linear transformation with a combination of CB, B, and G bands yielded more accurate results (standard error = 1.712 m, R ² _calibration = 0.594, R ² _validation = 0.551, and RMSE =1.80 m). Adding the CB band to the ratio transform methodology also dramatically increased the accuracy of the estimated depths, whereas this increment was not statistically significant when using the linear transform methodology. The integrated transform method in form of Depth = b ₀  + b ₁ X _CB  + b ₂ X _B  + b ₅ ln(R _CB )/ln(R _G ) + b ₆ ln(R _B )/ln(R _G ) yielded the highest accuracy (standard error = 1.634 m, R ² _calibration = 0.634, R ² _validation = 0.595, and RMSE = 1.71 m), where R _i (i = CB, B, or G) refers to atmospherically corrected reflectance values in the i ^th band [X _i  = ln(R _i -R _{deep water})].     

Chromium solubility in anhydrous Phase B

The crystal structure and chemical composition of a crystal of (Mg_14?x Cr _x )(Si_5?x Cr _x )O₂₄ (x ≈ 0.30) anhydrous Phase B (Anh-B) synthesized in the model system MgCr₂O₄–Mg₂SiO₄ at 12 GPa and 1600 °C have been investigated. The compound was found to be orthorhombic, space group Pmcb, with lattice parameters a = 5.900(1), b = 14.218(2), c = 10.029(2) Å, V = 841.3(2) Å³ and Z = 2. The structure was refined to R ₁ = 0.065 using 1492 independent reflections. Chromium was found to substitute for both Mg at the M3 site (with a mean bond distance of 2.145 Å) and Si at the octahedral Si1 site (mean bond distance: 1.856 Å), according to the reaction Mg²⁺ + Si⁴⁺ = 2Cr³⁺. Such substitutions cause a reduction in the volume of the M3 site and an increase in the volume of the Si-dominant octahedron with respect to the values typically observed for pure Anh-B and Fe²⁺-bearing Anh-B. Taking into account that Cr³⁺ is not expected to be Jahn–Teller active, it appears that both the Cr³⁺–for–Mg and Cr³⁺–for–Si substitutions in the Anh-B structure decrease the distortion of the octahedra. Electron microprobe analysis gave the Mg_13.66(8)Si_4.70(6)Cr_0.62(4)O₂₄ stoichiometry for the studied phase. The successful synthesis of this phase provides new information for the possible mineral assemblages occurring in the Earth’s deep upper mantle and shed new light on the so-called X discontinuity that has been observed at 275–345 km depth in several subcontinental and subduction zone environments.     

X-ray single-crystal and Raman study of (Na<Subscript>0.86</Subscript>Mg<Subscript>0.14</Subscript>)(Mg<Subscript>0.57</Subscript>Ti<Subscript>0.43</Subscript>)Si<Subscript>2</Subscript>O<Subscript>6</Subscript>, a new pyroxene synthesized at 7 GPa and 1700 °C

A new pyroxene with formula (Na_0.86Mg_0.14)(Mg_0.57Ti_0.43)Si₂O₆, synthesized in a high-pressure toroidal ‘anvil-with-hole’ apparatus at P = 7 GPa and T = 1700 °C, was characterized by X-ray single-crystal diffraction and Raman spectroscopy. The compound was found to be monoclinic (R1 = 2.56 %), space group C2/c, with lattice parameters a = 9.687(2), b = 8.814(1), c = 5.290(1) Å, β = 107.853(2)°, V = 430.08(1) ų. The coexistence of Mg and Ti⁴⁺ at the M1 site does not induce strong modifications either to the M1 site or to the adjacent M2 site. The Raman spectrum of synthetic Na–Ti-pyroxene was obtained for the first time and compared with that of Mg₂Si₂O₆ (with very low concentrations of Na and Ti). The structural characterization of the Na–Ti–Mg-pyroxene is important, because the study of its thermodynamic constants provides new constraints on thermobarometry of the upper mantle assemblages.     

Modeling and mapping of solar radiation using geostatistical analysis methods in Iran

Because of economic and technical limitations, measuring solar energy received at ground level (R _s ) isn’t possible in all parts of the country, and in only 12% of synoptic stations is this parameter measured and recorded. Thus, it should be estimated and modeled spatially based on other climatic variables using mathematical methods. In this research, many attempts have been made to introduce an air temperature-based model for Rs estimation, and then, based on the output of the mentioned models, several geostatistical methods have been tested, and finally an elegant spatial model is proposed for (Rs) zoning in Iran. In this regard, the relationships between the measured amounts of monthly solar radiation and other climatic parameters, such as a monthly average, maximum and minimum temperature, precipitation, relative humidity, and the number of sunny hours during the period 1970–2010, are examined and modeled. It was revealed that based on the linear relationship between the monthly average air temperatures and solar radiation values recorded in each of the stations, that the best-fit linear model, with R ²  = 0.822, MAE = 1.81, RMSE = 2.51%, and MAPE = 10.08, can be introduced for Rs estimation. Then, using the outputs of the proposed model, the amounts of (R _s ) are estimated in another 171 meteorological stations (a total of 192 stations), and eight geostatistical methods (IDW, GPI, RBF, LPI, OK, SK, UK, and EBK) were investigated for zoning. Comparing the resulting variograms showed that in addition to proof of spatial correlation between solar radiation data, they can be applied for modeling changes in various directions. Analyzing the ratio of the nugget effect on the roof of the variograms showed that the Gaussian model with the lowest ratio (Co/Co + C = 0.883) and (R ²  = 0.972), could model the highest correlation between the data and, therefore, it was used for data interpolation. To select the best geostatistical model, R2, MAE, and RMSE were used. On this basis, it was found that the RBF method with R ²  = 0.904, MAE = 3.02, RMSE = 0.39% is the most effective. Also, the IDW method with R ²  = 0.90, MAE = 3.08, RMSE = 0.391%, compared to other methods is the most effective. In addition, for data validation, correlations between observed and estimated values of solar radiation were studied and found R ²  = 0.86.     

Data-driven nonlinear modeling studies on removal of Acid Yellow 59 using Si-doped multi-walled carbon nanotubes

Data-driven modeling of removal of color index name of Acid Yellow 59 from aqueous solutions using multi-walled carbon nanotubes by multiple (non)linear regression and artificial neural networks (ANN) models based on leave-one-out cross-validation to predict the adsorbed dye amount per unit mass of adsorbent (mg g^?1) and performance evaluation of the proposed multiple (non)linear regression and ANN models is the main novel contributor of the present study. Initial dye concentration, adsorbent concentration, reaction time, and temperature were determined as explanatory variables and input neurons for multiple (non)linear regression and ANN models, respectively. The total number of experiments was determined as 1280 statistically. The results showed that multilayer perception ANN model (\(R^{2}_{\text{training}}\) = 0.9997, \(R^{2}_{\text{testing}}\) = 0.9993, RMSE = 0.7678, MAE of 0.0007) predicted q _t better than multiple (non)linear regression model (\(R^{2}_{\text{adj}}\) = 0.9645, \(R^{2}_{\text{pred}}\) = 0.9633, SE = 9.55) and MLR (R ² = 0.9543, SE = 10.87) models. The results justified the accuracy of ANN in prediction of q _t , significantly.     

High-pressure displacive phase transition of a natural Mg-rich pigeonite

A high-pressure single-crystal X-ray diffraction study has been carried out on a P2₁/c natural Mg-rich pigeonite sample with composition ca. Wo₆En₇₆Fs₁₈ using a diamond anvil-cell. The unit-cell parameters were determined at 14 different pressures to 7.14 GPa. The sudden disappearance of the b-type reflections (h + k = odd) and a strong discontinuity (about 2.8%) in the unit-cell volume indicated a first-order P2₁/c–C2/c phase transition between 4.66 and 4.88 GPa. The P(V) data of the P2₁/c phase were fitted to 4.66 GPa by a third-order Birch–Murnaghan equation of state (BM3 EoS), whereas the limited number of experimental data collected within the C2/c phase between 4.88 and 7.14 GPa were fitted using the same equation of state but with K′ constrained to the value obtained for the P2₁/c fitting. The equation of state coefficients are V ₀ = 424.66(6) ų, K _T0 = 104(2) GPa and K′ = 8(1) for the P2₁/c phase, and V ₀ = 423.6(1) ų, K _T0 = 112.4(8) GPa, and K′ fixed to 8(1) for the C2/c phase. The axial moduli for a, b, and c for the P2₁/c phase were obtained using also a BM3-EoS, while for the C2/c phase only a linear calculation could be performed, and therefore the same approach was applied for comparison also to the P2₁/c phase. In general the C2/c phase exhibits axial compressibilities (β _c > β _a >> β _b) lower than those of the P2₁/c phase (β _b > β _c ≈ β _a; similar to those found in previous studies in clinopyroxenes and orthopyroxenes). The lower compressibility of the C2/c phase compared with that of the P2₁/c could be ascribed to the greater stiffness along the b direction. A previously published relationship between P _c and M2 average cation radius (i.r.) has been updated using all the literature data on P2₁/c clinopyroxene containing large cations at M2 site and our new data. The following weighted regression was obtained: P _c (GPa) = 26(4) ? 28(5) ×  i.r (Å), R ² = 0.97. This improved equation can be used to predict the critical pressure of natural P2₁/c clinopyroxene samples just knowing the composition at M2 site.     

On the crystal chemistry and elastic behavior of a phlogopite 3<Emphasis Type="Italic">T</Emphasis>

The crystal chemistry and the elastic behavior under isothermal conditions up to 9 GPa of a natural, and extremely rare, 3T-phlogopite from Traversella (Valchiusella, Turin, Western Alps) [(K_0.99Na_0.05Ba_0.01)(Mg_2.60Al_0.20Fe _0.21 ²⁺ )[Si_2.71Al_1.29O₁₀](OH)₂, space group P3₁12, with a = 5.3167(4), c = 30.440(2) Å, and V = 745.16(9) ų] have been investigated by electron microprobe analysis in wavelength dispersion mode, single-crystal X-ray diffraction at 100 K, and in situ high-pressure synchrotron radiation powder diffraction (at room temperature) with a diamond anvil cell. The single-crystal refinement confirms the general structure features expected for trioctahedral micas, with the inter-layer site partially occupied by potassium and sodium, iron almost homogeneously distributed over the three independent octahedral sites, and the average bond distances of the two unique tetrahedra suggesting a disordered Si/Al-distribution (i.e., 〈T1-O〉 ~ 1.658 and 〈T2-O〉 ~ 1.656 Å). The location of the H-site confirms the orientation of the O–H vector nearly perpendicular to (0001). The refinement converged with R ₁(F) = 0.0382, 846 unique reflections with F _O > 4σ(F _O) and 61 refined parameters, and not significant residuals in the final difference-Fourier map of the electron density (+0.77/?0.37 e ^?/ų). The high-pressure experiments showed no phase transition within the pressure range investigated. The P–V data were fitted with a Murnaghan (M-EoS) and a third-order Birch-Murnaghan equation of state (BM-EoS), yielding: (1) M-EoS, V ₀ = 747.0(3) ų, K _T0 = 44.5(24) GPa, and K′ = 8.0(9); (2) BM-EoS, V ₀ = 747.0(3) ų, K _T0 = 42.8(29) GPa, and K′ = 9.9(17). A comparison between the elastic behavior in response to pressure observed in 1M- and 3T-phlogopite is made.     

Adsorption study on municipal solid waste leachate using <Emphasis Type="Italic">Moringa oleifera</Emphasis> seed

Effects of initial concentrations of Moringa oleifera seed coagulant for removing Chemical Oxygen Demand and Total Dissolved Solids from municipal solid waste leachate have been evaluated at an optimum pH of 7 and temperature of 318 K. The kinetic data obtained from the experiments were fitted to the pseudo first-order, pseudo second-order, Elovich and intraparticle diffusion models. Based on a regression coefficient (R ²), the equilibrium (kinetic) data were best fitted with the Elovich model (R ² = 0.993 for Chemical Oxygen Demand and R ² = 0.996 for Total Dissolved Solids) than that of other models. The results of the kinetic models study indicated that the adsorption capacity of M. oleifera seed as a coagulant for removing Chemical Oxygen Demand and Total Dissolved Solids in a leachate increased up to 100 mg L^?1, beyond which the adsorption capacity got reduced. Finally, the present study concluded that M. oleifera seed coagulant could be employed effectively for the removal of Chemical Oxygen Demand and Total Dissolved Solids in a municipal solid waste leachate.     

Comparative study of the absorptive potential of raw and activated carbon <Emphasis Type="Italic">Acacia nilotica</Emphasis> for Reactive Black 5 dye

Acacia nilotica was used for the adsorption of Reactive Black 5 (RB5) dye from an aqueous solution. Both the raw and activated (with H₃PO₄) carbon forms of Acacia nilotica (RAN and ANAC, respectively) were used for comparison. Various parameters (including dye concentration, contact time, temperature, and pH) were optimized to obtain the maximum adsorption capacity. RAN and ANAC were characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. The maximum experimental adsorption capacities for RAN and ANAC were 34.79 and 41.01 mg g^?1, respectively, which agreed with the maximum adsorption capacities predicted by the Langmuir, Freundlich, and Dubinin–Radushkevich equilibrium isotherm models. The adsorption data of ANAC showed a good fit to the isotherm models based on the coefficient of determination (R ²): Langmuir type II (R ² = 0.99) > Freundlich (R ² = 0.9853) > Dubinin–Radushkevich (R ² = 0.9659). This result suggested monolayer adsorption of RB5 dye. The adsorption of RB5 dye followed pseudo-second-order kinetics. The RAN adsorbent reflected an exothermic reaction (enthalpy change, ΔH = ?0.006 kJ mol^?1) and increased randomness (standard entropy change, ΔS = 0.038 kJ mol^?1) at the solid–solution interface. In contrast, ANAC reflected both exothermic [?0.011 kJ mol^?1 (303–313 K)] and endothermic [0.003 kJ mol^?1 (313–323 K)] reactions. However, the ΔS value of ANAC was lower when the RB5 adsorption increased from 313 to 323 K. The negative values for the Gibbs free energy change at all temperatures indicated that the adsorption of RB5 dye onto RAN and ANAC was spontaneous in the forward direction.     

The thermal expansion and crystal structure of mirabilite (Na<Subscript>2</Subscript>SO<Subscript>4</Subscript>·10D<Subscript>2</Subscript>O) from 4.2 to 300 K,determined by time-of-flight neutron powder diffraction

We have collected high resolution neutron powder diffraction patterns from Na₂SO₄·10D₂O over the temperature range 4.2–300 K following rapid quenching in liquid nitrogen, and over a series of slow warming and cooling cycles. The crystal is monoclinic, space-group P2₁/c (Z = 4) with a = 11.44214(4) Å, b = 10.34276(4) Å, c = 12.75486(6) Å, β = 107.847(1)°, and V = 1436.794(8) Å³ at 4.2 K (slowly cooled), and a = 11.51472(6) Å, b = 10.36495(6) Å, c = 12.84651(7) Å, β = 107.7543(1)°, V = 1460.20(1) Å³ at 300 K. Structures were refined to R _P (Rietveld powder residual, \( R_{P} = {{\sum {\left| {I_{\text{obs}} - I_{\text{calc}} } \right|} } \mathord{\left/ {\vphantom {{\sum {\left| {I_{\text{obs}} - I_{\text{calc}} } \right|} } {\sum {I_{\text{obs}} } }}} \right. \kern-\nulldelimiterspace} {\sum {I_{\text{obs}} } }} \)) better than 2.5% at 4.2 K (quenched and slow cooled), 150 and 300 K. The sulfate disorder observed previously by Levy and Lisensky (Acta Cryst B34:3502–3510, 1978) was not present in our specimen, but we did observe changes with temperature in deuteron occupancies of the orientationally disordered water molecules coordinated to Na. The temperature dependence of the unit-cell volume from 4.2 to 300 K is well represented by a simple polynomial of the form V = ? 4.143(1) × 10^?7 T ³ + 0.00047(2) T² ? 0.027(2) T + 1437.0(1) Å³ (R ² = 99.98%). The coefficient of volume thermal expansion, α _V , is positive above 40 K, and displays a similar magnitude and temperature dependence to α _V in deuterated epsomite and meridianiite. The relationship between the magnitude and orientation of the principal axes of the thermal expansion tensor and the main structural elements are discussed; freezing in of deuteron disorder in the quenched specimen affects the thermal expansion, manifested most obviously as a change in the behaviour of the unit-cell parameter β.     

Stability at high-pressure,elastic behaviour and pressure-induced structural evolution of CsAlSi<Subscript>5</Subscript>O<Subscript>12</Subscript>, a potential host for nuclear waste

The elastic and structural behaviour of the synthetic zeolite CsAlSi₅O₁₂ (a = 16.753(4), b = 13.797(3) and c = 5.0235(17) Å, space group Ama2, Z = 2) were investigated up to 8.5 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase-transition occurs within the P-range investigated. Fitting the volume data with a third-order Birch–Murnaghan equation-of-state gives: V ₀ = 1,155(4) ų, K _T0 = 20(1) GPa and K′ = 6.5(7). The “axial moduli” were calculated with a third-order “linearized” BM-EoS, substituting the cube of the individual lattice parameter (a ³, b ³, c ³) for the volume. The refined axial-EoS parameters are: a ₀ = 16.701(44) Å, K _T0a = 14(2) GPa (β_a = 0.024(3) GPa^?1), K′ _a = 6.2(8) for the a-axis; b ₀ = 13.778(20) Å, K _T0b = 21(3) GPa (β_b = 0.016(2) GPa^?1), K′ _b = 10(2) for the b-axis; c ₀ = 5.018(7) Å, K _T0c = 33(3) GPa (β_c = 0.010(1) GPa^?1), K′ _c = 3.2(8) for the c-axis (K _T0a:K _T0b:K _T0c = 1:1.50:2.36). The HP-crystal structure evolution was studied on the basis of several structural refinements at different pressures: 0.0001 GPa (with crystal in DAC without any pressure medium), 1.58(3), 1.75(4), 1.94(6), 3.25(4), 4.69(5), 7.36(6), 8.45(5) and 0.0001 GPa (after decompression). The main deformation mechanisms at high-pressure are basically driven by tetrahedral tilting, the tetrahedra behaving as rigid-units. A change in the compressional mechanisms was observed at P ≤ 2 GPa. The P-induced structural rearrangement up to 8.5 GPa is completely reversible. The high thermo-elastic stability of CsAlSi₅O_12, the immobility of Cs at HT/HP-conditions, the preservation of crystallinity at least up to 8.5 GPa and 1,000°C in elastic regime and the extremely low leaching rate of Cs from CsAlSi₅O₁₂ allow to consider this open-framework silicate as functional material potentially usable for fixation and deposition of Cs radioisotopes.     

Optimization of ammonia removal by ion-exchange resin using response surface methodology

The ability of ion-exchange resin for ammonia removal from aqueous solution was studied. The results showed that Amberlite ion-exchange resin was effective in removing ammonia from aqueous solution. Factorial design and response surface methodology were applied to evaluate and optimize the effects of pH, resin dose, contact time, temperature and initial ammonia concentration. Low pH condition was preferred with the optimum pH found to be 6. High resin dose generated high removal rate and low exchange capacity. Results of factorial design and response surface methodology showed that temperature was not a significant parameter. The model prediction was in good agreement with observed data (R ² = 0.957). The optimum Q _e was 28.78 mg/g achieved at pH = 6 and initial TAN concentration of 3000 mg/L. The kinetics followed the pseudo-second-order kinetic model (R ² = 0.999). Equilibrium data were fitted to Langmuir and Freundlich isotherm models with Langmuir model providing a slightly better predication (R ² = 0.996). The resin was completely regenerated by 2 N H₂SO₄.     

Electro-chemical mineralization of recalcitrant indole by platinum-coated titanium electrode: multi-response optimization,mechanistic and sludge disposal study

Indole is a highly recalcitrant aromatic heterocyclic organic compound consisting of a five-membered nitrogen-containing pyrrole ring fused to a six-membered benzene ring. This study presents the results of the electro-chemical mineralization of indole in an aqueous solution using platinum-coated titanium (Pt/Ti) electrode. A central composite design was used to investigate the effect of four parameters namely initial pH (pH_o), current density (j), conductivity (k) and treatment time (t) at 5 levels. Multiple responses namely chemical oxygen demand (COD) removal (Y ₁) and specific energy consumption (Y ₂) were simultaneously maximized and minimized, respectively, by optimizing the parameters affecting the mineralization of indole by using the desirability function approach. At the operating conditions of pH 8.6, j = 161 A/m², k = 6.7 mS/cm and t = 150 min, 83.8% COD removal with specific energy consumption of 36.3 kWh/kg of COD removed was observed. Ultra performance liquid chromatography, UV–visible spectroscopy, Fourier transform infrared spectroscopy and cyclic voltammetry of the indole solution were performed at the optimum condition of the treatment so as to report a plausible mechanism of indole degradation. Field emission scanning electron microscopy analysis of electrodes before and after treatment was performed for determining the changes on anode surface during the treatment. Thermal analysis of the solid residue (scum) obtained was also performed for exploring its disposal prospects. Present study shows that electro-chemical oxidation can be used for mineralization of nitrogenous heterocyclic compounds such as indole.     

High-pressure phase transitions of CaRhO<Subscript>3</Subscript> perovskite

High-pressure phase transitions of CaRhO₃ perovskite were examined at pressures of 6–27 GPa and temperatures of 1,000–1,930°C, using a multi-anvil apparatus. The results indicate that CaRhO₃ perovskite successively transforms to two new high-pressure phases with increasing pressure. Rietveld analysis of powder X-ray diffraction data indicated that, in the two new phases, the phase stable at higher pressure possesses the CaIrO₃-type post-perovskite structure (space group Cmcm) with lattice parameters: a = 3.1013(1) Å, b = 9.8555(2) Å, c = 7.2643(1) Å, V _m  = 33.43(1) cm³/mol. The Rietveld analysis also indicated that CaRhO₃ perovskite has the GdFeO₃-type structure (space group Pnma) with lattice parameters: a = 5.5631(1) Å, b = 7.6308(1) Å, c = 5.3267(1) Å, V _m  = 34.04(1) cm³/mol. The third phase stable in the intermediate P, T conditions between perovskite and post-perovskite has monoclinic symmetry with the cell parameters: a = 12.490(3) Å, b = 3.1233(3) Å, c = 8.8630(7) Å, β = 103.96(1)°, V _m  = 33.66(1) cm³/mol (Z = 6). Molar volume changes from perovskite to the intermediate phase and from the intermediate phase to post-perovskite are –1.1 and –0.7%, respectively. The equilibrium phase relations determined indicate that the boundary slopes are large positive values: 29 ± 2 MPa/K for the perovskite—intermediate phase transition and 62 ± 6 MPa/K for the intermediate phase—post-perovskite transition. The structural features of the CaRhO₃ intermediate phase suggest that the phase has edge-sharing RhO₆ octahedra and may have an intermediate structure between perovskite and post-perovskite.     

Thermal equation of state of natural tourmaline at high pressure and temperature

Synchrotron-based in situ angle-dispersive X-ray diffraction experiments were conducted on a natural uvite-dominated tourmaline sample by using an external-heating diamond anvil cell at simultaneously high pressures and temperatures up to 18 GPa and 723 K, respectively. The angle-dispersive X-ray diffraction data reveal no indication of a structural phase transition over the P–T range of the current experiment in this study. The pressure–volume–temperature data were fitted by the high-temperature Birch–Murnaghan equation of state. Isothermal bulk modulus of K ₀ = 96.6 (9) GPa, pressure derivative of the bulk modulus of \(K_{0}^{\prime } = 12.5 \;(4)\), thermal expansion coefficient of α ₀ = 4.39 (27) × 10^?5 K^?1 and temperature derivative of the bulk modulus (?K/?T) _P  = ?0.009 (6) GPa K^?1 were obtained. The axial thermoelastic properties were also obtained with K _a0 = 139 (2) GPa, \(K_{a0}^{\prime }\) = 11.5 (7) and α _a0 = 1.00 (11) × 10^?5 K^?1 for the a-axis, and K _c0 = 59 (1) GPa, \(K_{c0}^{\prime }\) = 11.4 (5) and α _c0 = 2.41 (24) × 10^?5 K^?1 for the c-axis. Both of axial compression and thermal expansion exhibit large anisotropic behavior. Thermoelastic parameters of tourmaline in this study were also compared with that of the other two ring silicates of beryl and cordierite.     

Coda <Emphasis Type="Italic">Q</Emphasis> in Qeshm Island,south of Iran,using aftershocks of the Qeshm earthquake of November 27, 2005

Coda wave attenuation is estimated for Qeshm Island which is located in the southeastern part of Zagros. For this purpose, the aftershocks of Qeshm earthquake in November 27, 2005, recorded within an epicentral distance less than 100 km, have been used. More than 829 earthquakes were recorded by a local temporary network consisting of 16 short period stations installed after a week after the main shock for ～10 weeks. The coda quality factor, Q _c, was estimated using the single-backscattering model in frequency bands of 0.5–24 Hz. In this research, lateral and vertical variations of coda Q in Qeshm Island are explored. In Qeshm Island, absence of significant lateral variation of coda Q is observed. To investigate the attenuation variation with depth, the coda Q value was calculated for coda time windows with different lengths (5, 10, 15, 20, 25, and 30 s). It is observed that coda Q increases with depth. However, in our study area, the rate of increase of coda Q with depth is not uniform. Beneath Qeshm Island, the rate of increase of coda Q is greater at depths less than ～40 km compared with those of larger depths. This is indicating the existence of a low attenuation anomalous structure under the ～40-km depth which may be correlated with the Moho depth in this region. The average frequency relation for this region is Q _c = 36 ± 1.2f ^{0.94 ± 0.039} at a 5 s-lapse time window length and Q _c = 110 ± 1.8f ^{0.88 ± 0.09} at a 30-s lapse time window length.     

Elastic behavior of vanadinite,Pb<Subscript>10</Subscript>(VO<Subscript>4</Subscript>)<Subscript>6</Subscript>Cl<Subscript>2</Subscript>, a microporous non-zeolitic mineral

The high-pressure behavior of a vanadinite (Pb₁₀(VO₄)₆Cl₂, a = b = 10.3254(5), c = 7.3450(4) Å, space group P6₃/m), a natural microporous mineral, has been investigated using in-situ HP-synchrotron X-ray powder diffraction up to 7.67 GPa with a diamond anvil cell under hydrostatic conditions. No phase transition has been observed within the pressure range investigated. Axial and volume isothermal Equations of State (EoS) of vanadinite were determined. Fitting the P–V data with a third-order Birch-Murnaghan (BM) EoS, using the data weighted by the uncertainties in P and V, we obtained: V ₀ = 681(1) Å³, K ₀ = 41(5) GPa, and K′ = 12.5(2.5). The evolution of the lattice constants with P shows a strong anisotropic compression pattern. The axial bulk moduli were calculated with a third-order “linearized” BM-EoS. The EoS parameters are: a ₀ = 10.3302(2) Å, K ₀(a) = 35(2) GPa and K′(a) = 10(1) for the a-axis; c ₀ = 7.3520(3) Å, K ₀(c) = 98(4) GPa, and K′(c) = 9(2) for the c-axis (K ₀(a):K ₀(c) = 1:2.80). Axial and volume Eulerian-finite strain (fe) at different normalized stress (Fe) were calculated. The weighted linear regression through the data points yields the following intercept values: Fe _a (0) = 35(2) GPa for the a-axis, Fe _c (0) = 98(4) GPa for the c-axis and Fe _V (0) = 45(2) GPa for the unit-cell volume. The slope of the regression lines gives rise to K′ values of 10(1) for the a-axis, 9(2) for the c-axis and 11(1) for the unit cell-volume. A comparison between the HP-elastic response of vanadinite and the iso-structural apatite is carried out. The possible reasons of the elastic anisotropy are discussed.     

<Emphasis Type="Italic">P</Emphasis>–<Emphasis Type="Italic">V</Emphasis>–<Emphasis Type="Italic">T</Emphasis> equation of state of CaAl<Subscript>4</Subscript>Si<Subscript>2</Subscript>O<Subscript>11</Subscript> CAS phase

The thermoelastic parameters of the CAS phase (CaAl₄Si₂O₁₁) were examined by in situ high-pressure (up to 23.7 GPa) and high-temperature (up to 2,100 K) synchrotron X-ray diffraction, using a Kawai-type multi-anvil press. P–V data at room temperature fitted to a third-order Birch–Murnaghan equation of state (BM EOS) yielded: V _0,300 = 324.2 ± 0.2 Å³ and K _0,300 = 164 ± 6 GPa for K′ _0,300 = 6.2 ± 0.8. With K′ _0,300 fixed to 4.0, we obtained: V _0,300 = 324.0 ± 0.1 Å³ and K _0,300 = 180 ± 1 GPa. Fitting our P–V–T data with a modified high-temperature BM EOS, we obtained: V _0,300 = 324.2 ± 0.1 Å³, K _0,300 = 171 ± 5 GPa, K′ _0,300 = 5.1 ± 0.6 (?K _0,T /?T) _P  = ?0.023 ± 0.006 GPa K^?1, and α_0,T  = 3.09 ± 0.25 × 10^?5 K^?1. Using the equation of state parameters of the CAS phase determined in the present study, we calculated a density profile of a hypothetical continental crust that would contain ~10 vol% of CaAl₄Si₂O₁₁. Because of the higher density compared with the coexisting minerals, the CAS phase is expected to be a plunging agent for continental crust subducted in the transition zone. On the other hand, because of the lower density compared with lower mantle minerals, the CAS phase is expected to remain buoyant in the lowermost part of the transition zone.     

Synthesis,TEM characterization and thermal behaviour of LiNiSi<Subscript>2</Subscript>O<Subscript>6</Subscript> pyroxene

A pyroxene with composition LiNiSi₂O₆ was synthesized at T = 1,473 K and P = 2.0 GPa; the cell parameters at T = 298 K are a = 9.4169(6) Å, b = 8.4465(7) Å, c = 5.2464(3) Å, β = 110.534(6)°, V = 390.78(3) Å³. TEM examination of the LiNiSi₂O₆ pyroxene showed the presence of h + k odd reflections indicative of a primitive lattice, and of antiphase domains obtained by dark field imaging of the h + k odd reflections. A HT in situ investigation was performed by examining TEM selected area diffraction patterns collected at high temperature and synchrotron radiation powder diffraction. In HTTEM the LiNiSi₂O₆ was examined together with LiCrSi₂O₆ pyroxene. In LiCrSi₂O₆ the h + k odd critical reflections disappear at about 340 K; they are sharp up to the transition temperature and do not change their shape until they disappear. In LiNiSi₂O₆ the h + k odd reflections are present up to sample deterioration at 650 K. A high temperature synchrotron radiation powder diffraction investigation was performed on LiNiSi₂O₆ between 298 and 773 K. The analysis of critical reflections and of changes in cell parameters shows that the space group is P-centred up to the highest temperature. The comparative analysis of the thermal and spontaneous strain contributions in P2₁/c and C2/c pyroxenes indicates that the high temperature strain in P-LiNiSi₂O₆ is very similar to that due to thermal strain only in C2/c spodumene and that a spontaneous strain contribution related to pre-transition features is not apparent in LiNiSi₂O₆. A different high-temperature behaviour in LiNiSi₂O₆ with respect to other pyroxenes is suggested, possibly in relation with the presence of Jahn–Teller distortion of the M1 polyhedron centred by low-spin Ni³⁺.