387 research outputs found

    Electronic structure and total energy of interstitial hydrogen in iron: Tight binding models

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    An application of the tight binding approximation is presented for the description of electronic structure and interatomic force in magnetic iron, both pure and containing hydrogen impurities. We assess the simple canonical d-band description in comparison to a non orthogonal model including s and d bands. The transferability of our models is tested against known properties including the segregation energies of hydrogen to vacancies and to surfaces of iron. In many cases agreement is remarkably good, opening up the way to quantum mechanical atomistic simulation of the effects of hydrogen on mechanical properties

    A tight binding model for water

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    We demonstrate for the first time a tight binding model for water incorporating polarizable anions. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make predictions of the structure and properties of hexamer clusters, ice-XI and liquid water. A particular feature, missing in current tight binding and semiempirical hamiltonians, is that we reproduce the almost two-fold increase in molecular dipole moment as clusters are built up towards the limit of bulk liquid. We concentrate on properties of liquid water which are very well rendered in comparison with experiment and published density functional calculations. Finally we comment on the question of the contrasting densities of water and ice which is central to an understanding of the subtleties of the hydrogen bond

    Evolving Symbolic Controllers

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    International audienceThe idea of symbolic controllers tries to bridge the gap between the top-down manual design of the controller architecture, as advocated in Brooks' subsumption architecture, and the bottom-up designer-free approach that is now standard within the Evolutionary Robotics community. The designer provides a set of elementary behavior, and evolution is given the goal of assembling them to solve complex tasks. Two experiments are presented, demonstrating the efficiency and showing the recursiveness of this approach. In particular, the sensitivity with respect to the proposed elementary behaviors, and the robustness w.r.t. generalization of the resulting controllers are studied in detail

    Microwave whispering gallery resonator for efficient optical up-conversion

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    Conversion of microwave radiation into the optical range has been predicted to reach unity quantum efficiency in whispering gallery resonators made from an optically nonlinear crystal and supporting microwave and optical modes simultaneously. In this work we theoretically explore and experimentally demonstrate a resonator geometry that can provide the required phase matching for such a conversion at any desired frequency in the sub-THz range. We show that such a ring-shaped resonator not only allows for the phase matching, but also maximizes the overlap of the interacting fields. As a result, unity-efficient conversion is expected in a resonator with feasible parameters.Comment: See also arXiv:0807.5098v

    Optimizing the Stark-decelerator beamline for the trapping of cold molecules using evolutionary strategies

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    We demonstrate feedback control optimization for the Stark deceleration and trapping of neutral polar molecules using evolutionary strategies. In a Stark-decelerator beamline pulsed electric fields are used to decelerate OH radicals and subsequently store them in an electrostatic trap. The efficiency of the deceleration and trapping process is determined by the exact timings of the applied electric field pulses. Automated optimization of these timings yields an increase of 40 % of the number of trapped OH radicals.Comment: 7 pages, 4 figures (RevTeX) (v2) minor corrections (v3) no changes to manuscript, but fix author list in arXiv abstrac

    Inactivation of Cerebral Cavernous Malformation Genes Results in Accumulation of von Willebrand Factor and Redistribution of Weibel-Palade Bodies in Endothelial Cells

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    Cerebral cavernous malformations are slow-flow thrombi-containing vessels induced by two-step inactivation of the CCM1, CCM2 or CCM3 gene within endothelial cells. They predispose to intracerebral bleedings and focal neurological deficits. Our understanding of the cellular and molecular mechanisms that trigger endothelial dysfunction in cavernous malformations is still incomplete. To model both, hereditary and sporadic CCM disease, blood outgrowth endothelial cells (BOECs) with a heterozygous CCM1 germline mutation and immortalized wild-type human umbilical vein endothelial cells were subjected to CRISPR/Cas9-mediated CCM1 gene disruption. CCM1−/− BOECs demonstrated alterations in cell morphology, actin cytoskeleton dynamics, tube formation, and expression of the transcription factors KLF2 and KLF4. Furthermore, high VWF immunoreactivity was observed in CCM1−/− BOECs, in immortalized umbilical vein endothelial cells upon CRISPR/Cas9-induced inactivation of either CCM1, CCM2 or CCM3 as well as in CCM tissue samples of familial cases. Observer-independent high-content imaging revealed a striking reduction of perinuclear Weibel-Palade bodies in unstimulated CCM1−/− BOECs which was observed in CCM1+/− BOECs only after stimulation with PMA or histamine. Our results demonstrate that CRISPR/Cas9 genome editing is a powerful tool to model different aspects of CCM disease in vitro and that CCM1 inactivation induces high-level expression of VWF and redistribution of Weibel-Palade bodies within endothelial cells

    Fresnel filtering in lasing emission from scarred modes of wave-chaotic optical resonators

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    We study lasing emission from asymmetric resonant cavity (ARC) GaN micro-lasers. By comparing far-field intensity patterns with images of the micro-laser we find that the lasing modes are concentrated on three-bounce unstable periodic ray orbits, i.e. the modes are scarred. The high-intensity emission directions of these scarred modes are completely different from those predicted by applying Snell's law to the ray orbit. This effect is due to the process of ``Fresnel filtering'' which occurs when a beam of finite angular spread is incident at the critical angle for total internal reflection.Comment: 4 pages, 3 figures (eps), RevTeX 3.1, submitted to Phys. Rev. Lett; corrected a minor (transcription) erro
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