Electrodeposition of Ni-Si Schottky barriers

Electrodeposition is being used to fabricate magnetic microstructures directly on patterned n-type Si wafers of various substrate resistivities. The Ni-Si Schottky barrier is characterized and found to be of high quality for relatively low Si resistivities (1-2 Omega(.)cm), with extremely low reverse leakage. It is shown that a direct correlation exists among the electrodeposition potential, the roughness, and the coercivity of the films. A conductive seed layer or a back contact is not compulsory for electrodeposition on Si with resistivities up to 15 Omega(.)cm. This shows that electrodeposition of magnetic materials on Si might be a viable fabrication technique for magnetoresistance and spintronics applications

Comment on "Deficiencies in molecular dynamics simulation-based prediction of protein-DNA binding free energy landscapes"

Sequence-specific DNA binding transcription factors play an essential role in the transcriptional regulation of all organisms. The development of reliable in silico methods to predict the binding affinity landscapes of transcription factors thus promises to provide rapid screening of transcription factor specificities and, at the same time, yield valuable insight into the atomistic details of the interactions driving those specificities. Recent literature has reported highly discrepant results on the current ability of state-of-the-art atomistic molecular dynamics simulations to reproduce experimental binding free energy landscapes for transcription factors. Here, we resolve one important discrepancy by noting that in the case of alchemical free energy calculations involving base pair mutations, a common convention used in improving end point convergence of mixed potentials in fact can lead to erroneous results. The underlying cause for inaccurate double free energy difference estimates is specific to the particular implementation of the alchemical transformation protocol. Using the Gromacs simulation package, which is not affected by this issue, we obtain free energy landscapes in agreement with the experimental measurements; equivalent results are obtained for a small set of test cases with a modified version of the AMBER package. Our findings provide a consistent and optimistic outlook on the current state of prediction of protein-DNA binding free energy interactions using molecular dynamics simulations and an important precaution for appropriate end point handling in a broad range of free energy calculations

Twin-free YBa2Cu3O7 films on (001) NdGaO3 showing isotropic electrical behaviour

Investigating the epitaxial nature of YBa2Cu3O7 films on NdGaO3 (001) by Rutherford backscattering (RBS) and X-ray diffraction (XRD) texture measurements we find that the films are almost single crystalline, in the sense that the a, b and c axes are uniquely defined with respect to those of NdGaO3. The crystalline perfection is, however, not reflected in the electrical properties of the films. Although we measure a Tc of 89.7 K, we did not observe the expected anisotropy in the resistivity. We interpret this to be due to Ga diffusion from the substrate into the film, which effectively blocks the chain conductivity

Low work function of the (1000) Ca2N surface

Polymer diodes require cathodes that do not corrode the polymer but do have low work function to minimize the electron injection barrier. First-principles calculations demonstrate that the work function of the (1000) surface of the compound Ca2N is half an eV lower than that of the elemental metal Ca (2.35 vs. 2.87 eV). Moreover its reactivity is expected to be smaller. This makes Ca2N an interesting candidate to replace calcium as cathode material for polymer light emitting diode devices.Comment: 3 pages, 4 figures, accepted by J. Appl. Phy

Non-equilibrium Thermodynamics of Spacetime

It has previously been shown that the Einstein equation can be derived from the requirement that the Clausius relation dS = dQ/T hold for all local acceleration horizons through each spacetime point, where dS is one quarter the horizon area change in Planck units, and dQ and T are the energy flux across the horizon and Unruh temperature seen by an accelerating observer just inside the horizon. Here we show that a curvature correction to the entropy that is polynomial in the Ricci scalar requires a non-equilibrium treatment. The corresponding field equation is derived from the entropy balance relation dS =dQ/T+dS_i, where dS_i is a bulk viscosity entropy production term that we determine by imposing energy-momentum conservation. Entropy production can also be included in pure Einstein theory by allowing for shear viscosity of the horizon.Comment: 4 pages. Dedicated to Rafael Sorkin on the occasion of his 60th birthda

Speed limits for quantum gates in multi-qubit systems

We use analytical and numerical calculations to obtain speed limits for various unitary quantum operations in multiqubit systems under typical experimental conditions. The operations that we consider include single-, two-, and three-qubit gates, as well as quantum-state transfer in a chain of qubits. We find in particular that simple methods for implementing two-qubit gates generally provide the fastest possible implementations of these gates. We also find that the three-qubit Toffoli gate time varies greatly depending on the type of interactions and the system's geometry, taking only slightly longer than a two-qubit controlled-NOT (CNOT) gate for a triangle geometry. The speed limit for quantum-state transfer across a qubit chain is set by the maximum spin-wave speed in the chain.Comment: 7 pages (two-column), 2 figures, 2 table

Liquid-vapor oscillations of water in hydrophobic nanopores

Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular dynamics simulations of water in short (0.8 nm) hydrophobic pores the water density in the pore fluctuates on a nanosecond time scale. In long simulations (460 ns in total) at pore radii ranging from 0.35 nm to 1.0 nm we quantify the kinetics of oscillations between a liquid-filled and a vapor-filled pore. This behavior can be explained as capillary evaporation alternating with capillary condensation, driven by pressure fluctuations in the water outside the pore. The free energy difference between the two states depends linearly on the radius. The free energy landscape shows how a metastable liquid state gradually develops with increasing radius. For radii larger than ca. 0.55 nm it becomes the globally stable state and the vapor state vanishes. One dimensional confinement affects the dynamic behavior of the water molecules and increases the self diffusion by a factor of two to three compared to bulk water. Permeabilities for the narrow pores are of the same order of magnitude as for biological water pores. Water flow is not continuous but occurs in bursts. Our results suggest that simulations aimed at collective phenomena such as hydrophobic effects may require simulation times longer than 50 ns. For water in confined geometries, it is not possible to extrapolate from bulk or short time behavior to longer time scales.Comment: 20 pages, 4 figures, 3 tables; to be published in Proc. Natl. Acad. Sci. US

Polarity patterns of stress fibers

Stress fibers are contractile actomyosin bundles commonly observed in the cytoskeleton of metazoan cells. The spatial profile of the polarity of actin filaments inside contractile actomyosin bundles is either monotonic (graded) or periodic (alternating). In the framework of linear irreversible thermodynamics, we write the constitutive equations for a polar, active, elastic one-dimensional medium. An analysis of the resulting equations for the dynamics of polarity shows that the transition from graded to alternating polarity patterns is a nonequilibrium Lifshitz point. Active contractility is a necessary condition for the emergence of sarcomeric, alternating polarity patterns.Comment: 5 pages, 3 figure