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.     

Electrical conductivity of polycrystalline Mg(OH)<Subscript>2</Subscript> at 2 GPa: effect of grain boundary hydration–dehydration

The effect of intergranular water on the conductivity of polycrystalline brucite, Mg(OH)₂, was investigated using impedance spectroscopy at 2 GPa, during consecutive heating–cooling cycles in the 298–980 K range. The grain boundary hydration levels tested here span water activities from around unity (wet conditions) down to 10⁻⁴ (dry conditions) depending on temperature. Four orders of magnitude in water activity result in electrical conductivity variations for about 6–7 orders of magnitude at 2 GPa and room temperature. Wet brucite samples containing, initially, about 18 wt% of evaporable water (i.e. totally removed at temperatures below 393 K in air), display electrical conductivity values above 10⁻²–10⁻³ S/m. A.C. electrical conductivity as a function of temperature follows an Arrhenius behaviour with an activation energy of 0.11 eV. The electrical conductivity of the same polycrystalline brucite material dried beforehand at 393 K (dry conditions) is lower by about 5–6 orders of magnitude at room temperature and possesses an activation energy of 0.8–0.9 eV which is close to that of protonic diffusion in (001) brucitic planes. Above ca. 873 K, a non-reversible conductivity jump is observed which is interpreted as a water transfer from mineral bulk to grain boundaries (i.e. partial dehydration). Cooling of such partially dehydrated sample shows electrical conductivities much higher than those of the initially dry sample by 4 orders of magnitude at 500 K. Furthermore, the corresponding activation energy is decreased by a factor of about four (i.e. 0.21 eV). Buffering of the sample at low water activity has been achieved by adding CaO or MgO, two hygroscopic compounds, to the starting material. Then, sample conductivities reached the lowest values encountered in this study with the activation energy of 1.1 eV. The strong dependency of the electrical conductivity with water activity highlights the importance of the latter parameter as a controlling factor of diffusion rates in natural processes where water availability and activity may vary grandly. Water exchange between mineral bulk and mineral boundary suggests that grain boundary can be treated as an independent phase in dehydroxylation reactions.     

Fossil wood diversity gradient and Far-East Asia palaeoclimatology during the Late Triassic – Cretaceous interval

Mesozoic fossil floras are distributed over eastern Asia (China, Mongolia, Siberia, Korea and Japan) according to a regular latitudinal pattern. Two floras are usually distinguished, a northern type and a southern type, the distribution of which oscillated during the Mesozoic. In Japan, this regular pattern is disrupted by a sharp inflexion of the boundary between the two floras. Two competing hypotheses have been proposed to explain this disruption. One hypothesis advocates later tectonic motion clouding the original pattern, while the other hypothesis proposes that a warm oceanic current allowed the southern flora to grow much further north in coastal areas. We used fossil wood, a biotic component that has not previously been used, for a palaeobiogeographical study of the region. The observed fossil wood diversity at the generic level does not fit with the hypothesis of a warm oceanic current, unless this hypothesis is modified to include alternating warm northbound and cold southbound oceanic currents. Our results provide new evidence for the palaeoecology of the Mesozoic continental biota in Far-East Asia.     

A 3-D lithospheric model of the Caribbean-South American plate boundary

A 3-D structural model of the Caribbean-South American plate boundary was constructed by gravity modeling. The model was constrained by four wide-angle seismic refraction sections, Moho depth estimations from receiver functions, and additionally seismological hypocenters, surface geology, and geodynamic information. Density values were calculated from empirical velocity-density functions, and mineralogical-chemical composition considering specific P/T conditions. We tested different structural models for Western and Eastern Venezuela. In the final model, the fit of the measured and modeled gravity fields for a long Caribbean slab in Western Venezuela was better than the fit obtained for a short one. This interpretation is consistent with the constraining data. The slab is interpreted to extend further to the south beneath Northern Colombia and culminates in the area of the seismic cluster of the Bucaramanga nest. The modeling estimates a slab dip angle under Maracaibo and Mérida Andes of 15°, which increases to 32° below 100 km depth. The dip direction of approx. N150°E ± 5 increases lightly eastward. In Eastern Venezuela, considering its short wavelength, lineaments analyzed from gravity data (by curvature methods and Euler deconvolution) seem to be related to shallow structures and density contrast in the Serranía del Interior and not from a deep detached slab beneath the continental crust. It is deduced from modeling results that this slab configuration has a very small influence on the gravity field. The slab was modeled according to the subduction-transform propagation model with purely westward subduction and a slab break off along a vertical dip-slip tear through the lithosphere.     

Planning the sea: The French experience. Contribution to marine spatial planning perspectives

As marine spatial planning is developing, prompted by the European Union through common principles prescribed in a road map, it is important to disseminate and analyse what has been put forward as the French experience in this field. Hence, the experience of the schémas de mise en valeur de la mer immediately proves to be original in its framework and deeply rooted in French specificities. However, a further analysis of this procedure implemented over several decades highlights the perspectives that would be worth integrating into French and European considerations. This paper thus provides information referring to the SMVM experience, presents an analysis of its results, and attempts to draw lessons from it with regard to recent developments in French marine policy.     

Differential regional responses in drought length, intensity and timing to recent climate changes in a Mediterranean forested ecosystem

The Mediterranean area is one of the regions of the world where GCMs agree the most on precipitation changes due to climate change. In this study we aim to assess the impact of recent climate change on drought features of Mediterranean ecosystems in Southern France. Regional climatic trends for the 1971–2006 period are compared to drought trends based on a water balance model accounting for soil properties, vegetation structure and functioning. Drought, defined here as periods when soil water potentials drop below ??0.5 MPa, is described in terms of intensity, duration and timing, which are integrative of both climate variability and site conditions. Temporal trends in precipitation, temperature and solar radiation lead altogether to drier and warmer conditions over the region but with a high spatial heterogeneity; for similar climatic trends, a significant increase in drought intensity was detected in the wettest areas of the region, whereas drought intensity in the driest areas did not change. Indeed, in the wettest areas, we observed an earlier onset of drought by about 1 month, but a constant end of drought. In the driest areas of the region, we observed the same earlier onset of drought but combined with an earlier end of drought, thus leading to a shift of the dry season without increasing its duration. The definition of drought features both in terms of intensity but also of seasonal timing appears relevant to capture historical or forecasted changes in ecosystem functioning. Studies concerning climate change impacts on forested ecosystems should be interpreted with caution when using climate proxies alone.     

GALICS: A direct link between theory and observations

This contribution advocates a new method for comparing theoretical predictions to observations. Properties of virtual galaxies are computed using the hybrid model for hierarchical galaxy formation GALICS (for Galaxies In Cosmological Simulations), which takes advantage of large cosmological N-body simulations to plug in simple semi-analytic recipes describing the fate of the baryons. From such a fake galaxy catalog, one can build light cones, and project them onto virtual CCD devices, taking into account the technical characteristics of the detector/telescope. As a result, realistic mock images can be produced, which can then be directly compared to real observations. This revised version was published online in August 2006 with corrections to the Cover Date.     

A quasi-spherical inner accretion flow in Seyfert galaxies?

We study a phenomenological model for the continuum emission of Seyfert galaxies. In this quasi-spherical accretion scenario, the central X-ray source is constituted of a hot spherical plasma region surrounded by spherically distributed cold dense clouds. The cold material is radiatively coupled with the hot thermal plasma. Assuming energy balance, we compute the hard X-ray spectral slope Γ and the reflection amplitude R . This simple model enables us to reproduce both the range of observed hard X-ray spectral slopes and the reflection amplitude R . It also predicts a correlation between R and Γ that is very close to what is observed. Most of the observed spectral variations from source to source would be caused by differences in the cloud covering fraction. If some internal dissipation process is active in the cold clouds, darkening effects may provide a simple explanation for the observed distributions of reflection amplitudes, spectral slopes and ultraviolet to X-ray flux ratios.