Inelastic fingerprints of hydrogen contamination in atomic gold wire systems

We present series of first-principles calculations for both pure and hydrogen contaminated gold wire systems in order to investigate how such impurities can be detected. We show how a single H atom or a single H2 molecule in an atomic gold wire will affect forces and Au-Au atom distances under elongation. We further determine the corresponding evolution of the low-bias conductance as well as the inelastic contributions from vibrations. Our results indicate that the conductance of gold wires is only slightly reduced from the conductance quantum G0=2e^2/h by the presence of a single hydrogen impurity, hence making it difficult to use the conductance itself to distinguish between various configurations. On the other hand, our calculations of the inelastic signals predict significant differences between pure and hydrogen contaminated wires, and, importantly, between atomic and molecular forms of the impurity. A detailed characterization of gold wires with a hydrogen impurity should therefore be possible from the strain dependence of the inelastic signals in the conductance.Comment: 5 pages, 3 figures, Contribution to ICN+T2006, Basel, Switzerland, July-August 200

Nanomechanics of a Hydrogen Molecule Suspended between Two Equally Charged Tips

Geometric configuration and energy of a hydrogen molecule centered between two point-shaped tips of equal charge are calculated with the variational quantum Monte-Carlo (QMC) method without the restriction of the Born-Oppenheimer (BO) approximation. Ground state nuclear distribution, stability, and low vibrational excitation are investigated. Ground state results predict significant deviations from the BO treatment that is based on a potential energy surface (PES) obtained with the same QMC accuracy. The quantum mechanical distribution of molecular axis direction and bond length at a sub-nanometer level is fundamental for understanding nanomechanical dynamics with embedded hydrogen. Because of the tips' arrangement, cylindrical symmetry yields a uniform azimuthal distribution of the molecular axis vector relative to the tip-tip axis. With approaching tips towards each other, the QMC sampling shows an increasing loss of spherical symmetry with the molecular axis still uniformly distributed over the azimuthal angle but peaked at the tip-tip direction for negative tip charge while peaked at the equatorial plane for positive charge. This directional behavior can be switched between both stable configurations by changing the sign of the tip charge and by controlling the tip-tip distance. This suggests an application in the field of molecular machines.Comment: 20 pages, 10 figure

Controlled Contact to a C60 Molecule

The conductance of C60 on Cu(100) is investigated with a low-temperature scanning tunneling microscope. At the transition from tunneling to the contact regime the conductance of C60 adsorbed with a pentagon-hexagon bond rises rapidly to 0.25 conductance quanta G0. An abrupt conductance jump to G0 is observed upon further decreasing the distance between the instrument's tip and the surface. Ab-initio calculations within density functional theory and non-equilibrium Green's function techniques explain the experimental data in terms of the conductance of an essentially undeformed C60. From a detailed analysis of the crossover from tunneling to contact we conclude that the conductance in this region is strongly affected by structural fluctuations which modulate the tip-molecule distance.Comment: 4 pages, 3 figure

Pathogenic variability in monoconidial isolates of the sorghum anthracnose fungus Colletotrichum graminicola from single lesions and from monoconidial cultures.

A patogenidade de culturas c sub-culturas monospóricas de Colletotrichum graminicola obtidas de uma única lesão c de isolamentos monospóricos das cultivares de sorgo Tx623 e SC748-5 foi avaliada em 5 cultivares diferenciadoras. Isolados foram separados em diferentes fenótipos de virulência, indicando a ocorrência de instabilidade patogenica em isolados deste patógeno. Reversão de um estado de virulência para um de virulência foi observada para alguns isolados

Resistive magnetohydrodynamic reconnection : resolving long-term, chaotic dynamics

We acknowledge financial support from the EC FP7/2007-2013 Grant Agreement SWIFF (No. 263340) and from project GOA/2009/009 (KU Leuven). This research has been funded by the Interuniversity Attraction Poles Programme initiated by the Belgian Science Policy Office (IAP P7/08 CHARM). Part of the simulations used the infrastructure of the VSC-Flemish Supercomputer Center, funded by the Hercules Foundation and the Flemish Government-Department EWI. Another part of the simulations was done at the former Danish Center for Scientific Computing at Copenhagen University which is now part of DeIC Danish e-Infrastructure Cooperation.In this paper, we address the long-term evolution of an idealised double current system entering reconnection regimes where chaotic behavior plays a prominent role. Our aim is to quantify the energetics in high magnetic Reynolds number evolutions, enriched by secondary tearing events, multiple magnetic island coalescence, and compressive versus resistive heating scenarios. Our study will pay particular attention to the required numerical resolutions achievable by modern (grid-adaptive) computations, and comment on the challenge associated with resolving chaotic island formation and interaction. We will use shock-capturing, conservative, grid-adaptive simulations for investigating trends dominated by both physical (resistivity) and numerical (resolution) parameters, and confront them with (visco-)resistive magnetohydrodynamic simulations performed with very different, but equally widely used discretization schemes. This will allow us to comment on the obtained evolutions in a manner irrespective of the adopted discretization strategy. Our findings demonstrate that all schemes used (finite volume based shock-capturing, high order finite differences, and particle in cell-like methods) qualitatively agree on the various evolutionary stages, and that resistivity values of order 0.001 already can lead to chaotic island appearance. However, none of the methods exploited demonstrates convergence in the strong sense in these chaotic regimes. At the same time, nonperturbed tests for showing convergence over long time scales in ideal to resistive regimes are provided as well, where all methods are shown to agree. Both the advantages and disadvantages of specific discretizations as applied to this challenging problem are discussed.Publisher PDFPeer reviewe

Efficient UC Commitment Extension with Homomorphism for Free (and Applications)

Homomorphic universally composable (UC) commitments allow for the sender to reveal the result of additions and multiplications of values contained in commitments without revealing the values themselves while assuring the receiver of the correctness of such computation on committed values. In this work, we construct essentially optimal additively homomorphic UC commitments from any (not necessarily UC or homomorphic) extractable commitment. We obtain amortized linear computational complexity in the length of the input messages and rate 1. Next, we show how to extend our scheme to also obtain multiplicative homomorphism at the cost of asymptotic optimality but retaining low concrete complexity for practical parameters. While the previously best constructions use UC oblivious transfer as the main building block, our constructions only require extractable commitments and PRGs, achieving better concrete efficiency and offering new insights into the sufficient conditions for obtaining homomorphic UC commitments. Moreover, our techniques yield public coin protocols, which are compatible with the Fiat-Shamir heuristic. These results come at the cost of realizing a restricted version of the homomorphic commitment functionality where the sender is allowed to perform any number of commitments and operations on committed messages but is only allowed to perform a single batch opening of a number of commitments. Although this functionality seems restrictive, we show that it can be used as a building block for more efficient instantiations of recent protocols for secure multiparty computation and zero knowledge non-interactive arguments of knowledge

Engineering Negative Differential Conductance with the Cu(111) Surface State

Low-temperature scanning tunneling microscopy and spectroscopy are employed to investigate electron tunneling from a C60-terminated tip into a Cu(111) surface. Tunneling between a C60 orbital and the Shockley surface states of copper is shown to produce negative differential conductance (NDC) contrary to conventional expectations. NDC can be tuned through barrier thickness or C60 orientation up to complete extinction. The orientation dependence of NDC is a result of a symmetry matching between the molecular tip and the surface states.Comment: 5 pages, 4 figures, 1 tabl

Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations

We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the response of the junction to elastic deformation is examined. We show that this procedure makes a detailed characterization of the molecular junction possible. In particular, our results indicate that tunneling takes place through just a single molecule.Comment: 5 pages, 4 figures (accepted in Phys. Rev. B

Effects of Self-field and Low Magnetic Fields on the Normal-Superconducting Phase Transition

Researchers have studied the normal-superconducting phase transition in the high-$T_c$ cuprates in a magnetic field (the vortex-glass or Bose-glass transition) and in zero field. Often, transport measurements in "zero field" are taken in the Earth's ambient field or in the remnant field of a magnet. We show that fields as small as the Earth's field will alter the shape of the current vs. voltage curves and will result in inaccurate values for the critical temperature $T_c$ and the critical exponents $\nu$ and $z$, and can even destroy the phase transition. This indicates that without proper screening of the magnetic field it is impossible to determine the true zero-field critical parameters, making correct scaling and other data analysis impossible. We also show, theoretically and experimentally, that the self-field generated by the current flowing in the sample has no effect on the current vs. voltage isotherms.Comment: 4 pages, 4 figure

Normal-Superconducting Phase Transition Mimicked by Current Noise

As a superconductor goes from the normal state into the superconducting state, the voltage vs. current characteristics at low currents change from linear to non-linear. We show theoretically and experimentally that the addition of current noise to non-linear voltage vs. current curves will create ohmic behavior. Ohmic response at low currents for temperatures below the critical temperature $T_c$ mimics the phase transition and leads to incorrect values for $T_c$ and the critical exponents $\nu$ and $z$. The ohmic response occurs at low currents, when the applied current $I_0$ is smaller than the width of the probability distribution $\sigma_I$, and will occur in both the zero-field transition and the vortex-glass transition. Our results indicate that the transition temperature and critical exponents extracted from the conventional scaling analysis are inaccurate if current noise is not filtered out. This is a possible explanation for the wide range of critical exponents found in the literature.Comment: 4 pages, 2 figure