Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces

Using ab initio path-integral molecular dynamics, we show that water-hydroxyl overlayers on transition metal surfaces exhibit surprisingly pronounced quantum nuclear effects. The metal substrates serve to reduce the classical proton transfer barriers within the overlayers and, in analogy to ice under high pressure, to shorten the corresponding intermolecular hydrogen bonds. Depending on the substrate and the intermolecular separations it imposes, the traditional distinction between covalent and hydrogen bonds is lost partially [e.g., on Pt(111) and Ru(0001)] or almost entirely [e.g., on Ni(111)]. We suggest that these systems provide an excellent platform on which to systematically explore the magnitude of quantum nuclear effects in hydrogen bonds

Approximation for discrete Fourier transform and application in study of three-dimensional interacting electron gas

The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation efficiency with several orders without loosing accuracy. As an example, we apply the algorithm to study the three-dimensional interacting electron gas under the renormalized-ring-diagram approximation where the Green's function needs to be self-consistently solved. We present the results for the chemical potential, compressibility, free energy, entropy, and specific heat of the system. The ground-state energy obtained by the present calculation is compared with the existing results of Monte Carlo simulation and random-phase approximation.Comment: 11 pages, 13 figure

Structural difference rule for amorphous alloy formation by ion mixing

We formulate a rule which establishes a sufficient condition that an amorphous binary alloy will be formed by ion mixing of multilayered samples when the two constituent metals are of different crystalline structure, regardless of their atomic sizes and electronegativities. The rule is supported by the experimental results we have obtained on six selected binary metal systems, as well as by the previous data reported in the literature. The amorphization mechanism is discussed in terms of the competition between two different structures resulting in frustration of the crystallization process

Non-Existence of Positive Stationary Solutions for a Class of Semi-Linear PDEs with Random Coefficients

We consider a so-called random obstacle model for the motion of a hypersurface through a field of random obstacles, driven by a constant driving field. The resulting semi-linear parabolic PDE with random coefficients does not admit a global nonnegative stationary solution, which implies that an interface that was flat originally cannot get stationary. The absence of global stationary solutions is shown by proving lower bounds on the growth of stationary solutions on large domains with Dirichlet boundary conditions. Difficulties arise because the random lower order part of the equation cannot be bounded uniformly

Comparison of Power Dependence of Microwave Surface Resistance of Unpatterned and Patterned YBCO Thin Film

The effect of the patterning process on the nonlinearity of the microwave surface resistance $R_S$ of YBCO thin films is investigated. With the use of a sapphire dielectric resonator and a stripline resonator, the microwave $R_S$ of YBCO thin films was measured before and after the patterning process, as a function of temperature and the rf peak magnetic field in the film. The microwave loss was also modeled, assuming a $J_{rf}^2$ dependence of $Z_S(J_{rf})$ on current density $J_{rf}$. Experimental and modeled results show that the patterning has no observable effect on the microwave residual $R_S$ or on the power dependence of $R_S$.Comment: Submitted to IEEE Trans. MT

Properties of weighted complex networks

We study two kinds of weighted networks, weighted small-world (WSW) and weighted scale-free (WSF). The weight $w_{ij}$ of a link between nodes $i$ and $j$ in the network is defined as the product of endpoint node degrees; that is $w_{ij}=(k_{i}k_{j})^{\theta}$. In contrast to adding weights to links during networks being constructed, we only consider weights depending on the `` popularity\rq\rq of the nodes represented by their connectivity. It was found that the both weighted networks have broad distributions on characterization the link weight, vertex strength, and average shortest path length. Furthermore, as a survey of the model, the epidemic spreading process in both weighted networks was studied based on the standard \emph{susceptible-infected} (SI) model. The spreading velocity reaches a peak very quickly after the infection outbreaks and an exponential decay was found in the long time propagation.Comment: 14 pages, 5 figure