Inhibition of the reduction of Cr(VI) at the magnetite–water interface by calcium carbonate coatings

The effect of calcium carbonate coatings on the reduction of aqueous chromate on the magnetite(1 1 1) surface has been investigated using a combination of synchrotron based X-ray photoemission spectroscopy (PES) and X-ray absorption near edge structure (XANES) spectroscopy, along with laboratory-based powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). CaCO₃ coatings (dominantly calcite with minor quantities of aragonite and vaterite) of thicknesses ranging from 10 Å to 20 m were grown on magnetite(1 1 1) surfaces by exposure to supersaturated aqueous solutions followed by evaporation of the solution—a process that mimics pore-water evaporation in vadose zones leading to the formation of caliche and calcium carbonate coatings on mineral grains. Coating thicknesses were determined from attenuation of the Fe 2p photoemission signal by the carbonate coating. For coatings less than 15 Å thick, Cr 2p photoemission and Cr L_II, L_III-edge XANES spectra show that chromate is reduced by the underlying magnetite surface; however, as the minimum coating thickness increases beyond 15 Å, the magnetite surface becomes passivated and further chromate reduction ceases. Our findings suggest that carbonate coatings on natural magnetite grains can significantly reduce or eliminate their ability to reduce Cr(VI), which is a toxic and highly mobile environmental contaminant.     

Dynamical fermions in lattice gauge theories: Metropolis and Langevin techniques in two dimensions

A variety of techniques for the inclusion of dynamical fermions in lattice gauge theory is examined. Three pseudo-fermionic techniques that have the characteristics desirable for an unquenched simulation of four-dimensional QCD are studied in detail. Langevin and Metropolis pseudo-fermionic techniques are implemented for a 64×64 lattice on the Distributed Array Processor and their relative merits examined both for free fermions and the lattice Schwinger model.     

On a nonlinear multigrid algorithm with primal relaxation for the image total variation minimisation

Digital image restoration has drawn much attention in the recent years and a lot of research has been done on effective variational partial differential equation models and their theoretical studies. However there remains an urgent need to develop fast and robust iterative solvers, as the underlying problem sizes are large. This paper proposes a fast multigrid method using primal relaxations. The basic primal relaxation is known to get stuck at a ‘local’ non-stationary minimum of the solution, which is usually believed to be ‘non-smooth’. Our idea is to utilize coarse level corrections, overcoming the deadlock of a basic primal relaxation scheme. A further refinement is to allow non-regular coarse levels to correct the solution, which helps to improve the multilevel method. Numerical experiments on both 1D and 2D images are presented.     

Investigations in the amplitude of sounded piano tones

The relationship between final hammer velocity and maximum amplitude of radiated piano sound was investigated. Piano tones with varying hammer velocities were produced by a computer-monitored acoustic piano containing optical sensors and solenoids, and the sounded tones were recorded and digitized for analysis. Maximum amplitudes over the duration of the sounded tones were linearly proportional to piano hammer velocities for a range of frequencies and hammer velocities. Changes in room acoustics did not alter the linear relationship. Measurements of maximum amplitudes of individual tones and combined tones (dyads) also indicated a linear relationship between the sum of the maximum amplitudes of the individual tones and the maximum amplitude of the dyads. These findings indicate that the principle of superposition holds for peak amplitudes of sounded piano tones. Findings are discussed with regard to production and perception of musical dynamics.     

Some effective methods for unconstrained optimization based on the solution of systems of ordinary differential equations

In this paper, we review briefly some methods for minimizing a functionF(x), which proceed by follwoing the solution curve of a system of ordinary differential equations. Such methods have often been thought to be unacceptably expensive; but we show, by means of extensive numerical tests, using a variety of algorithms, that the ODE approach can in fact be implemented in such a way as to be more than competitive with currently available conventional techniques.This work was supported by a SERC research studentship for the first author. Both authors are indebted to Dr. J. J. McKeown and Dr. K. D. Patel of SCICON Ltd, the collaborating establishment, for their advice and encouragement.     

Kinetic model for hydrocarbon-assisted particulate boron combustion

A kinetic model is presented to describe the high temperature (1800 K < T < 3000 K) surface oxidation of particulate boron in a hydrocarbon combustion environment. The model includes a homogeneous gas-phase B/O/H/C oxidation mechanism consisting of 19 chemical species and 58 forward and reverse elementary reactions, multi-component gas-phase diffusion, and a heterogeneous surface oxidation mechanism consisting of ‘elementary’ adsorption and desorption reaction steps. Thermochemical and kinetic parameters for the surface reactions are estimated from available experimental data and/or elementary transition state arguments. The kinetic processes are treated using a generalized kinetics code, with embedded sensitivity analysis, for the combustion of a one-dimensional (particle radius), spherical particle. Model results are presented for the oxidation of a 200 μm boron particle in a JP-4/air mixture at ambient temperatures of 1400 K and 2000 K. These results include temperature and gas-phase species profiles as a function of radial distance and particle burning rates. © 1994 John Wiley & Sons, Inc.