Lithium speciation in aqueous fluids at high P and T studied by ab initio molecular dynamics and consequences for Li-isotope fractionation between minerals and fluids

Ab initio molecular dynamics simulations are performed to study the speciation changes in lithium bearing aqueous fluids at high temperature (T = 1000 K) and high pressures, P, between about 0.3 and 6.0 GPa. The simulations show a linear increase in Li coordination with fluid density, from 3.2 to about five in the considered pressure range. Towards low densities, associated LiF complexes are becoming increasingly stable, which is quantified by evaluating the dynamic behavior of the respective species. In the high-density region, HF complexes are observed. The differences in speciation may be related to structural changes of the solvent under compression. At a fluid density of 1.2 g/cm³, kinks in the pressure dependences of the oxygen–oxygen nearest neighbor distance and the oxygen–oxygen coordination are observed, which indicates a change in compaction mechanism. Assuming that the Li coordination difference between crystal and fluid is a major determinant for the isotopic fractionation between minerals and fluids, we expect only a small pressure dependence of the Li isotopic fractionation between Li bearing fluids and minerals. Our simulation results are consistent with experimental data that show reverse fractionation of ⁷Li between fluid and mineral, when Li is in tetrahedral instead of octahedral coordination in the crystal.     

The strongest cosmic magnets: soft gamma-ray repeaters and anomalous X-ray pulsars

Two classes of X-ray pulsars, the anomalous X-ray pulsars and the soft gamma-ray repeaters, have been recognized in the last decade as the most promising candidates for being magnetars: isolated neutron stars powered by magnetic energy. I review the observational properties of these objects, focussing on the most recent results, and their interpretation in the magnetar model. Alternative explanations, in particular those based on accretion from residual disks, are also considered. The possible relations between these sources and other classes of neutron stars and astrophysical objects are also discussed.     

Seismic soil–structure interaction in multi‐span bridges: Application to a railway bridge

The effects of soil‐structure interaction on the seismic response of multi‐span bridges are investigated by means of a modelling strategy based on the domain decomposition technique. First, the analysis methodology is presented: kinematic interaction analysis is performed in the frequency domain by means of a procedure accounting for radiation damping, soil–pile and pile‐to‐pile interaction; the seismic response of the superstructure is evaluated in the time domain by means of user‐friendly finite element programs introducing suitable lumped parameter models take into account the frequency‐dependent impedances of the soil–foundation system. Second, a real multi‐span railway bridge longitudinally restrained at one abutment is analyzed. The input motion is represented by two sets of real accelerograms: one consistent with the Italian seismic code and the other constituted by five records characterized by different frequency contents. The seismic response of the compliant‐base model is compared with that obtained from a fixed‐base model. Pile stress resultants due to kinematic and inertial interactions are also evaluated. The application demonstrates the importance of performing a comprehensive analysis of the soil–foundation–structure system in the design process, in order to capture the effects of soil‐structure interaction in each structural element that may be beneficial or detrimental. Copyright © 2011 John Wiley & Sons, Ltd.     

Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: An efficient ab initio approach

The mass-dependent equilibrium stable isotope fractionation between different materials is an important geochemical process. Here we present an efficient method to compute the isotope fractionation between complex minerals and fluids at high pressure, P, and temperature, T, representative for the Earth’s crust and mantle. The method is tested by computation of the equilibrium fractionation of lithium isotopes between aqueous fluids and various Li bearing minerals such as staurolite, spodumene and mica. We are able to correctly predict the direction of the isotope fractionation as observed in the experiments. On the quantitative level the computed fractionation factors agree within 1.0‰ with the experimental values indicating predictive power of ab initio methods. We show that with ab initio methods we are able to investigate the underlying mechanisms driving the equilibrium isotope fractionation process, such as coordination of the fractionating elements, their bond strengths to the neighboring atoms, compression of fluids and thermal expansion of solids. This gives valuable insight into the processes governing the isotope fractionation mechanisms on the atomic scale. The method is applicable to any state and does not require different treatment of crystals and fluids.     

Notes on Hori Method for Non-Canonical Systems

In this paper the new approach for the integration theory of the canonical version of Hori method recently proposed is extended to the non-canonical one. It will be shown that the non-homogeneous ordinary differential equation with an auxiliary parameter t* associated with the mth order equation of the algorithm can also be replaced by a non-homogeneous partial differential equation in the time t. Using a generalized canonical approach, the general algorithm proposed by Sessin is then revised; as well as the Lagrange variational equations for the non-canonical version of Hori method. A simplified algorithm derived from Sessin's algorithm is presented for non-linear oscillations problem.     

Counts, Sizes and Colours of Faint Infrared-Selected Galaxies

Deep J- and K _s-band images covering a 5 × 5 arcmin area centred on the NTT Deep Field have been obtained during the Science Verification of SOFI at the NTT. These images were made available via the Web in early June, 1998. The preliminary results we have obtained by the analysis of these data are the following: (i) the counts continue to rise with no evidence of a turnover or of a flattening down to the limits of the survey (K _s = 22.5 and J = 24 mag); (ii) we find a slope d log(N)/dm≈ 0.37, in agreement with most of the faintest surveys but much steeper than the Hawaii survey; (iii) fainter than K _s ≈ 19and J ≈ 20 mag, the median J-K colour of galaxies shows a break in its reddening trend turning toward bluer colours; (iv) faint bluer galaxies also display a larger compactness index, and a smaller apparent size. This revised version was published online in July 2006 with corrections to the Cover Date.     

List of papers from other journals

List of papers from other journals