Potential-dependent structure of the interfacial water on the gold electrode

Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces.     

THE STEP-TRANSITION OPERATORS FOR MULTI-STEP METHODS OF ODE'S

1.'IntroductionThedisad~ageofsymplecticmethodsinusingtheinformationfrompasttimestepsleadstotheirneedingmorefunctionevaluationthannonsymplecticmethods.Thisdisadvantagecanbeovercomeifonecouldconstructsymplecticmulti-stepmethods.But'theaestProblemshouldbesolvedistogiveoutthedefinitionofsymplecticmultistepmethod.Ulltilnow,apopularideaisthatanm-stepmethodonMmaybewrittenasaone-stepmethodonMa.Inpaper12,71,theauthorshaveinvestigatedthecircumstanceunderWhichadifferenceschemecanpreservetheproductsympl…     

Slowing down in the three-dimensional three-state Potts glass with nearest neighbor exchange ± J: A Monte Carlo study

,Static and dynamic properties of the Potts model on the simple cubic lattice with nearest neighbor -interaction are obtained from Monte Carlo simulations in a temperature range where full thermal equilibrium still can be achieved (). For a lattice size L = 16, in this range finite size effects are still negligible, but the data for the spin glass susceptibility agree with previous extrapolations based on finite size scaling of very small lattices. While the static properties are compatible with a zero temperature transition, they certainly do not prove it. Unlike the Ising spin glass, the decay of the time-dependent order parameter is compatible with a simple Kohlrausch function, , while a power law prefactor cannot be distinguished. The Kohlrausch exponent y ( T ) decreases from at [0pt] to at [0pt] however. The relaxation time is compatible with the exponential divergence postulated by McMillan for spin glasses at their lower critical dimension, but the exponent that can be extracted still differs significantly from the theoretical value, . Thus the present results support the conclusion that the Potts spin glass in d = 3 dimensions differs qualitatively from the Ising spin glass. Received: 8 October 1997 / Accepted: 27 November 1997     

浅议物理实验教学环节改革

为进一步提高大学物理实验的教学质量，本文就实验课的预习、操作、实验报告的撰写及考核方法进行了探讨。     

Computational experience with general equilibrium problems

We report on computational experience with an implementation of three algorithms for the general economic equilibrium problem. As a result we get that the projection algorithm for variational inequalities increases the size of solvable models by a factor of 5–10 in comparison with the classical homotopy method. As a third approach we implemented a simulated annealing heuristic which might be suitable to estimate equilibria for very large models.Supported by the German Research Association (Deutsche Forschungsgemeinschaft, SFB 303).     

The multi-symplecticity of partitioned Runge-Kutta methods for Hamiltonian PDEs

In this article we consider partitioned Runge-Kutta (PRK) methods for Hamiltonian partial differential equations (PDEs) and present some sufficient conditions for multi-symplecticity of PRK methods of Hamiltonian PDEs.

     

A 3D-BPP approach for optimising stowage plans and terminal productivity

This paper addresses the problem of determining stowage plans for containers in a ship, that is the so-called master bay plan problem (MBPP).     

The nanogranular nature of C-S-H

Despite its ubiquitous presence as binding phase in all cementitious materials, the mechanical behavior of calcium-silicate-hydrates (C-S-H) is still an enigma that has deceived many decoding attempts from experimental and theoretical sides. In this paper, we propose and validate a new technique and experimental protocol to rationally assess the nanomechanical behavior of C-S-H based on a statistical analysis of hundreds of nanoindentation tests. By means of this grid indentation technique we identify in situ two structurally distinct but compositionally similar C-S-H phases heretofore hypothesized to exist as low density (LD) C-S-H and high density (HD) C-S-H, or outer and inner products. The main finding of this paper is that both phases exhibit a unique nanogranular behavior which is driven by particle-to-particle contact forces rather than by mineral properties. We argue that this nanomechanical blueprint of material invariant behavior of C-S-H is a consequence of the hydration reactions during which precipitating C-S-H nanoparticles percolate generating contact surfaces. As hydration proceeds, these nanoparticles pack closer to center on-average around two characteristic limit packing densities, the random packing limit (η=64%) and the ordered face-centered cubic (fcc) or hexagonal close-packed (hcp) packing limit (η=74%), forming a characteristic LD C-S-H and HD C-S-H phase.     

Constant Q-curvature metrics in arbitrary dimension

Working in a given conformal class, we prove existence of constant Q-curvature metrics on compact manifolds of arbitrary dimension under generic assumptions. The problem is equivalent to solving a nth-order non-linear elliptic differential (or integral) equation with variational structure, where n is the dimension of the manifold. Since the corresponding Euler functional is in general unbounded from above and below, we use critical point theory, jointly with a compactness result for the above equation.     

On the evolution of two-dimensional patterns in an inviscid liquid sheet

We perform an analysis of the pattern formation for a moving sheet of inviscid fluid. The sheet, which is assumed to have an infinite horizontal extent, moves at some prescribed velocity into a passive surrounding gas. The sheet’s thickness is assumed much smaller than the horizontal scale of the fluid motion. By considering a system that is symmetric with respect to the horizontal planes, long scale asymptotics are used to reduce the full governing equations in three dimensions to a set of three coupled nonlinear partial differential equations for the horizontal components of the velocity field and the height of the interface profile. The interfacial conditions consisting of the kinematic and normal stress balance are incorporated into these evolution equations. Investigations are carried out as function of the sole dimensionless parameter, namely the Weber number. A small amplitude stability analysis around the planar gas–liquid interface reveals that wave patterns in the form of traveling plane waves occur subcritically, and are therefore unstable. The reduced evolution equations are solved numerically for fixed values of the Weber number. Since the reduced system of equations is homogeneous, the wave motion is generated by initial conditions. Five initial conditions have been imposed: one-dimensional rolls, two-dimensional squares, two-dimensional hexagons, two-dimensional ridges, and smooth peaks. The ensuing evolution of the liquid sheet’s shape and corresponding flow fields are described by illustrations of the changes in the sheet’s morphology with time.