Energetics of intrinsic point defects in ZrSiO4_4

Using first principles calculations we have studied the formation energies, electron and hole affinities, and electronic levels of intrinsic point defects in zircon. The atomic structures of charged interstitials, vacancies, Frenkel pairs and anti-site defects are obtained. The limit of high concentration of point defects, relevant for the use of this material in nuclear waste immobilization, was studied with a variable lattice relaxation that can simulate the swelling induced by radiation damage. The limit of low concentration of defects is simulated with larger cells and fixed lattice parameters. Using known band offset values at the interface of zircon with silicon, we analyze the foreseeable effect of the defects on the electronic properties of zircon used as gate in metal-oxide-semiconductor devices.Comment: preprint 16 pages, 4 figures, and 5 table

Trajectory-dependent energy loss for swift He atoms axially scattered off a silver surface

Angle- and energy-loss- resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile distributions are evaluated within a semi-classical formalism that includes dissipative effects due to electron-hole excitations through a friction force. For mono-energetic beams impinging along the $[1\bar{1}0]$, $[1\bar{1}2]$ and $[1\bar{1}0]$ directions, the model predicts the presence of multiple peak structures in energy-loss spectra. Such structures provide detailed information about the trajectory-dependent energy loss. However, when the experimental dispersion of the incident beam is taken into account, these energy-loss peaks are completely washed out, giving rise to a smooth energy-loss distribution, in fairly good agreement with available experimental data

Global ocean storage of anthropogenic carbon

48 páginas, 7 figuras, 7 tablas. -- S. Kathiwala ... et al.-- Proyecto CarbochangeThe global ocean is a significant sink for anthropogenic carbon (Cant), absorbing roughly a third of human CO2 emitted over the industrial period. Robust estimates of the magnitude and variability of the storage and distribution of Cant in the ocean are therefore important for understanding the human impact on climate. In this synthesis we review observational and model-based estimates of the storage and transport of Cant in the ocean. We pay particular attention to the uncertainties and potential biases inherent in different inference schemes. On a global scale, three data based estimates of the distribution and inventory of Cant are now available. While the inventories are found to agree within their uncertainty, there are considerable differences in the spatial distribution. We also present a review of the progress made in the application of inverse and data-assimilation techniques which combine ocean interior estimates of Cant with numerical ocean circulation models. Such methods are especially useful for estimating the air-sea flux and interior transport of Cant, quantities that are otherwise difficult to observe directly. However, the results are found to be highly dependent on modeled circulation, with the spread due to different ocean models at least as large as that from the different observational methods used to estimate Cant. Our review also highlights the importance of repeat measurements of hydrographic and biogeochemical parameters to estimate the storage of Cant on decadal timescales in the presence of the variability in circulation that is neglected by other approaches. Data-based Cant estimates provide important constraints on ocean forward models, which exhibit both broad similarities and regional errors relative to the observational fields. A compilation of inventories of Cant gives us a "best" estimate of the global ocean inventory of anthropogenic carbon in 2010 of 155 Pg C with an uncertainty of ±20%. This estimate includes a broad range of values suggesting that a combination of approaches is necessary in order to achieve a robust quantification of the ocean sink of anthropogenic CO2.Peer reviewe

Juncus emmanuelis

This species is endemic to a small area in the southwestern Iberian Peninsula, with subpopulations scattered in approximately 16 localities. It is assessed as Endangered (EN B2ab(ii,iii,iv)) because it has an Area of Occupancy (AOO) of less than 500 km2 and shows signs of severe fragmentation due to the ongoing transformation of its specific habitat of sandy soils with an impermeable underlayer in temporary pools, as a result of several ongoing major threats associated with intensive agricultural activities. Based on this information, a continuing decline in the AOO, habitat quality and number of subpopulations has been inferred. Additional research and conservation action is needed for this species

Zannichellia contorta

This species is native to southern, central and eastern Spain, with an old record from the Atlas Mountains in northern Morocco requiring confirmation. The species is very sensitive to eutrophication and deterioration of water quality. The Area of Occupancy (AOO) has been estimated to be less than 500 km2 based on confirmed records and knowledge that its habitat is in continuous decline and at least 40% of the known localities have disappeared, especially in southern Spain. Moreover, an ongoing continuing decline in AOO, habitat quality and number of subpopulations of this species due to the increase in nutrients concentration from waters of the streams where it lives, which stops its growth, has been observed. The same process of habitat deterioration is happening in central and eastern Spain. The population of this species is severely fragmented with more than half of its subpopulations being isolated with no exchange possibilities and suspected to have reached no viable levels. It therefore qualifies to be listed in the category Endangered (EN B2ab(ii,iii,iv)) in the Mediterranean region. Resource and habitat protection and site management are needed. Other recommended conservation measures are ex situ conservation, population and distribution research, and habitat and population monitoring

Efficient excitation of cavity resonances of subwavelength metallic gratings

One dimensional rectangular metallic gratings enable enhanced transmission of light for specific resonance frequencies. Two kinds of modes participating to enhanced transmission have already been demonstrated : (i) waveguide modes and (ii) surface plasmon polaritons (SPP). Since the original paper of Hessel and Oliner \cite{hessel} pointing out the existence of (i), no progress was made in their understanding. We present here a carefull analysis, and show that the coupling between the light and such resonances can be tremendously improved using an {\it evanescent} wave. This leads to enhanced localisation of light in cavities, yielding, in particular, to a very selective light transmission through these gratings.Comment: 4 pages, 5 figures, submitted to Phys. Rev. Let

Construction and evolution of equilibrium configurations of the Schr\"odinger-Poisson system in the Madelung frame

We present the construction of ground state equilibrium configurations of the Schr\"odinger-Poisson (SP) system in the Madelung frame and evolve such configuration using finite volume methods. We compare the behavior of these configurations when evolved within the SP and Madelung frames, in terms of conservation of mass and energy. We also discuss the issues of the equations in the Madelung frame and others inherent to the numerical methods used to solve them.Comment: 12 pages, 4 figures. Invited contributio