Semiclassical information from deformed and escort information measures

Escort distributions are a well established but (for physicists) a relatively new concept that is rapidly gaining wide acceptance in world. In this work we wish to revisit the concept within the strictures of the celebrated semiclassical Husimi distributions (HDs) and thereby investigate the possibility of extracting new semiclassical information contained, not in the HD themselves, but in their associated escort Husimi distributions. We will also establish relations, for various information measures, between their deformed versions [J. Naudts, Physica A 316 (2002) 323] and those built up with escort HDs. Bounds on the concomitant power exponents will be determined.     

Electric conductance of metal nanowires at mechanically controllable break junctions under electrochemical potential control

We have developed the mechanically controllable break junction setup with an electrochemical cell (EC-MCBJ) to measure the electric conductance of metal nanowires under electrochemical potential control. The electric conductance of Au nanowires was investigated in 0.1 M Na₂SO₄ solution using EC-MCBJ. The conductance of the Au nanowires was quantized in units of G₀ (=2e²/h), showing clear features in the conductance histogram. The atomic contact with a specific conductance value was kept for >5 s, indicating the relatively high stability of the present EC-MCBJ system.     

Anchoring sulphur-headgroup organic molecules at Cu(1 0 0): Tailoring the interface electronic states

Sulphur-headgroup organic molecules have been chemisorbed on Cu(1 0 0) as self-assembled monolayers (SAMs) in highly-ordered two-fold symmetry structures, and the electronic states induced at the interface have been measured by photoemission: a close similarity of the main interface states for methane-thiolate and mercaptobenzoxazole on Cu(1 0 0) in the same p(2 × 2)-phase is observed. The bonding states for methane-thiolate/Cu(1 0 0) in the p(2 × 2) and c(2 × 2) structures have been compared to ab-initio calculation of the total density of states (DOS) for the S/Cu(1 0 0) system in the same phases. The major role of the S-Cu bonding to determine the density of state evolution at the interface is brought to light. The observed differences in the two phases depend mainly on the charge distribution associated to the different molecular packing, with a minor role of the radical group.     

First-principles study of the (0 0 1) surface of cubic SrZrO3

Density functional calculations have been used to investigate the (0 0 1) surface of cubic SrZrO₃ with both SrO and ZrO₂ termination. Surface structure and electronic structure have been obtained. The SrO surface is found to be similar to its counterpart in SrTiO₃, while there are marked differences between the ZrO₂ and TiO₂ terminations in SrZrO₃ and SrTiO₃, respectively, concerning surface relaxation and rumpling. For the ZrO₂-terminated surface of SrZrO₃, the covalency of the interaction between the outmost Zr and the O beneath is enhanced as a result of their bond contraction. The band gap reduction and the presence of the surface states are also discussed in relation with the behavior of the electrostatic potential.     

The internal strain of three-dimensional braided composites with co-braided FBG sensors

The performance analysis of three-dimensional (3-D) braided composites is made difficult by their complex and interlacing structure, and is still under development. To get complete first-hand data on the material parameters of these composites, co-braided optical fiber sensors (OFS) can be used to measure the internal strain. This information is helpful for subsequent stiffness predictions and failure analysis. This paper introduces a method of incorporating OFS into braided composites, and establishes a constitutive theoretical model for the hybrid material. Experiments are conducted to measure the internal strain of specimens under tension, and the results are compared to theoretical predictions.     

A second-order accurate numerical method for the two-dimensional fractional diffusion equation

Spatially fractional order diffusion equations are generalizations of classical diffusion equations which are used in modeling practical superdiffusive problems in fluid flow, finance and others. In this paper, we present an accurate and efficient numerical method to solve a fractional superdiffusive differential equation. This numerical method combines the alternating directions implicit (ADI) approach with a Crank–Nicolson discretization and a Richardson extrapolation to obtain an unconditionally stable second-order accurate finite difference method. The stability and the consistency of the method are established. Numerical solutions for an example super-diffusion equation with a known analytic solution are obtained and the behavior of the errors are analyzed to demonstrate the order of convergence of the method.     

Analytical and numerical study of coupled atomistic-continuum methods for fluids

The stability and convergence rate of coupled atomistic-continuum methods are studied analytically and numerically. These methods couple a continuum model with molecular dynamics through the exchange of boundary conditions in the continuum-particle overlapping region. Different coupling schemes, including velocity–velocity, flux–velocity, velocity–flux and flux–flux, are studied. It is found that the velocity–velocity and flux–velocity schemes are stable. The flux–flux scheme is weakly unstable. The stability of the velocity–flux scheme depends on the parameter T_c which is the length of the time interval between successive exchange of boundary conditions. It is stable when T_c is small and unstable when T_c is large. For steady-state problems, the flux–velocity scheme converges faster than the other coupling schemes.     

Towards a nonperturbative foundation of the dipole picture: II. High energy limit

This is the second of two papers in which we study real and virtual photon-proton scattering in a nonperturbative framework. In the first paper we have identified the leading contributions to this process at high energies and have derived expressions for them which take into account the renormalisation of the photon-quark-antiquark vertex. In the present paper we investigate the approximations and assumptions that are necessary to obtain the dipole model of high energy scattering from the results derived in the first paper. We discuss the gauge invariance of different contributions to the scattering amplitude and point out some subtleties related to gauge invariance in the correct definition of a perturbative photon wave function. As a phenomenological consequence of the dipole picture we derive a bound on the ratio of the cross sections for longitudinally and transversely polarised photons. This bound is independent of any particular model for the dipole-proton cross section and allows one to test the validity of the assumptions leading to the dipole picture in particular at low photon virtualities. We conclude that the naive dipole model formula should be supplemented by two additional terms which can potentially become large at small photon virtualities.     

Projection 2 Goes Turbulent - and Fully Implicit

We describe and demonstrate both our newest projection method (fully implicit) for the incompressible Navier-Stokes equations via the finite element method and our newest turbulence model - a somewhat sophisticated nonlinear (cubic) eddy viscosity model that does not employ wall functions or normal distances to walls - the combination providing a method and a model that is each applicable in arbitrary geometry. We demonstrate both via a flow simulation past an automobile-like body at a Reynolds number of 4.3 million.