1,742 research outputs found

    Jet engine powers large, high-temperature wind tunnel

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    Wind tunnel for large component testing uses a jet engine with afterburner to provide high temperatures /1200 degrees to 2000 degrees F/ and controlled high velocity gas. This economical wind tunnel can accommodate parts ten feet by ten feet or larger, and is a useful technique for qualitative information

    Structural models for the Si(553)-Au atomic chain reconstruction

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    Recent photoemission experiments on the Si(553)-Au reconstruction show a one-dimensional band with a peculiar ~1/4 filling. This band could provide an opportunity for observing large spin-charge separation if electron-electron interactions could be increased. To this end, it is necessary to understand in detail the origin of this surface band. A first step is the determination of the structure of the reconstruction. We present here a study of several structural models using first-principles density functional calculations. Our models are based on a plausible analogy with the similar and better known Si(557)-Au surface, and compared against the sole structure proposed to date for the Si(553)-Au system [Crain JN et al., 2004 Phys. Rev. B 69 125401 ]. Results for the energetics and the band structures are given. Lines for the future investigation are also sketched

    Asymptotic tunneling conductance in Luttinger liquids

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    Conductance through weak constrictions in Luttinger liquids is shown to vanish with frequency ω\omega as c1ω2+c2ω2/g2c_1 \omega^2 + c_2 \omega^{2/g - 2}, where gg is a dimensionless parameter characterizing the Luttinger liquid phase, and c1c_1 and c2c_2 are nonuniversal constants. The first term arises from the ^^ Coulomb blockade' effect and dominates for g<1/2g < 1/2, whereas the second results from eliminating high-energy modes and dominates for g>1/2g > 1/2.Comment: Latex file + one appended postcript figur

    Reconstruction Mechanism of FCC Transition-Metal (001) Surfaces

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    The reconstruction mechanism of (001) fcc transition metal surfaces is investigated using a full-potential all-electron electronic structure method within density-functional theory. Total-energy supercell calculations confirm the experimental finding that a close-packed quasi-hexagonal overlayer reconstruction is possible for the late 5dd-metals Ir, Pt, and Au, while it is disfavoured in the isovalent 4dd metals (Rh, Pd, Ag). The reconstructive behaviour is driven by the tensile surface stress of the unreconstructed surfaces; the stress is significantly larger in the 5dd metals than in 4dd ones, and only in the former case it overcomes the substrate resistance to the required geometric rearrangement. It is shown that the surface stress for these systems is due to dd charge depletion from the surface layer, and that the cause of the 4th-to-5th row stress difference is the importance of relativistic effects in the 5dd series.Comment: RevTeX 3.0, 12 pages, 1 PostScript figure available upon request] 23 May 199

    Majorana: from atomic and molecular, to nuclear physics

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    In the centennial of Ettore Majorana's birth (1906-1938?), we re-examine some aspects of his fundamental scientific production in atomic and molecular physics, including a not well known short communication. There, Majorana critically discusses Fermi's solution of the celebrated Thomas-Fermi equation for electron screening in atoms and positive ions. We argue that some of Majorana's seminal contributions in molecular physics already prelude to the idea of exchange interactions (or Heisenberg-Majorana forces) in his later workson theoretical nuclear physics. In all his papers, he tended to emphasize the symmetries at the basis of a physical problem, as well as the limitations, rather than the advantages, of the approximations of the method employed.Comment: to appear in Found. Phy

    Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy

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    Intermolecular halogen bonding in complexes of phosphine and dihalogens has been theoretically investigated using explicitly correlated coupled cluster methods and symmetry adapted perturbation theory. The complexes H3P· · · ClF, H3P· · · BrF and H3P· · ·IF are demonstrated to possess unusually strong interactions that are accompanied by an increase in the induction component of the interaction energy and significant elongation of the X–Y halogen distance on complex formation. The combination of these factors is indicative of Mulliken inner complexes and criteria for identifying this classification are further developed. The importance of choosing an electronic structure method that describes both dispersion and longer range interactions is demonstrated, along with the need to account for the change in geometry on complexation formation via relaxation energy and overall stabilisation energies

    The electronic structure of amorphous silica: A numerical study

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    We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates from the liquid state to a glass, thus giving access to glass-like configurations with different degrees of disorder [Phys. Rev. B 54, 15808 (1996)]. The electronic structure is described by a tight-binding Hamiltonian. We study the influence of the degree of disorder on the density of states, the localization properties, the optical absorption, the nature of defects within the mobility gap, and on the fluctuations of the Madelung potential, where the disorder manifests itself most prominently. The experimentally observed mismatch between a photoconductivity threshold of 9 eV and the onset of the optical absorption around 7 eV is interpreted by the picture of eigenstates localized by potential energy fluctuations in a mobility gap of approximately 9 eV and a density of states that exhibits valence and conduction band tails which are, even in the absence of defects, deeply located within the former band gap.Comment: 21 pages of Latex, 5 eps figure

    Hydrogen molecule in a magnetic field: The lowest states of the Pi manifold and the global ground state of the parallel configuration

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    The electronic structure of the hydrogen molecule in a magnetic field is investigated for parallel internuclear and magnetic field axes. The lowest states of the Π\Pi manifold are studied for spin singlet and triplet(Ms=1)(M_s = -1) as well as gerade and ungerade parity for a broad range of field strengths 0B100a.u.0 \leq B \leq 100 a.u. For both states with gerade parity we observe a monotonous decrease in the dissociation energy with increasing field strength up to B=0.1a.u.B = 0.1 a.u. and metastable states with respect to the dissociation into two H atoms occur for a certain range of field strengths. For both states with ungerade parity we observe a strong increase in the dissociation energy with increasing field strength above some critical field strength BcB_c. As a major result we determine the transition field strengths for the crossings among the lowest 1Σg^1\Sigma_g, 3Σu^3\Sigma_u and 3Πu^3\Pi_u states. The global ground state for B0.18a.u.B \lesssim 0.18 a.u. is the strongly bound 1Σg^1\Sigma_g state. The crossings of the 1Σg^1\Sigma_g with the 3Σu^3\Sigma_u and 3Πu^3\Pi_u state occur at B0.18B \approx 0.18 and B0.39a.u.B \approx0.39 a.u., respectively. The transition between the 3Σu^3\Sigma_u and 3Πu^3\Pi_u state occurs at B12.3a.u.B \approx 12.3 a.u. Therefore, the global ground state of the hydrogen molecule for the parallel configuration is the unbound 3Σu^3\Sigma_u state for 0.18B12.3a.u.0.18 \lesssim B \lesssim 12.3 a.u. The ground state for B12.3a.u.B \gtrsim 12.3 a.u. is the strongly bound 3Πu^3\Pi_u state. This result is of great relevance to the chemistry in the atmospheres of magnetic white dwarfs and neutron stars.Comment: submitted to Physical Review

    Autosomal dominant craniometaphyseal dysplasia is caused by mutations in the transmembrane protein ANK

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    Craniometaphyseal dysplasia (CMD) is a rare skeletal disorder characterized by progressive thickening and increased mineral density of craniofacial bones and abnormally developed metaphyses in long bones. Linkage studies mapped the locus for the autosomal dominant form of CMD to an similar to5-cM interval on chromosome 5p, which is defined by recombinations between loci D5S810 and D5S1954. Mutational analysis of positional candidate genes was performed, and we describe herein three different mutations, in five different families and in isolated cases, in ANK, a multipass transmembrane protein involved in the transport of intracellular pyrophosphate into extracellular matrix. the mutations are two in-frame deletions and one in-frame insertion caused by a splicing defect. All mutations cluster within seven amino acids in one of the six possible cytosolic domains of ANK. These results suggest that the mutated protein has a dominant negative effect on the function of ANK, since reduced levels of pyrophosphate in bone matrix are known to increase mineralization.Harvard Sch Dent Med, Forsyth Inst, Harvard Forsyth Dept Oral Biol, Boston, MA 02115 USAHarvard Univ, Sch Med, Childrens Hosp, Dept Cell Biol, Boston, MA USAHarvard Univ, Sch Med, Childrens Hosp, Dept Genet, Boston, MA USAHarvard Univ, Sch Med, Childrens Hosp, Div Plast Surg, Boston, MA USAUniversidade Federal de São Paulo, EPM, Campinas, SP, BrazilInst Cirurg Plast Craniofacial SOBRAPAR, Campinas, SP, BrazilShowa Univ, Sch Med, Dept Plast & Reconstruct Surg, Tokyo 142, JapanVirginia Commonwealth Univ, Med Coll Virginia, Dept Human Genet, Richmond, VA 23298 USASt Louis Univ, Sch Med, Cardinal Glennon Childrens Hosp, Div Med Genet, St Louis, MO 63104 USAUniv Cape Town, Sch Med, Dept Human Genet, ZA-7925 Cape Town, South AfricaOhio State Univ, Coll Dent, Dept Orthodont, Columbus, OH 43210 USAChildrens Hosp, Dept Genet, Columbus, OH 43205 USAUniv Minnesota, Sch Dent, Dept Oral Biol & Genet, Minneapolis, MN 55455 USAUniversidade Federal de São Paulo, EPM, Campinas, SP, BrazilWeb of Scienc
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