The structure of an Fe monolayer on the Ni (111) surface. A density-functional study using the generalized gradient approximation

Using a density-functional method that employs linear combinations of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials and the generalized gradient approximation for exchange and correlation, we found that at 0 K the atoms of an Fe monolayer on the Ni (111) surface occupy hcp rather than fcc sites, in keeping with previous predictions made using the ab initio all-electron full-potential linearized augmented plane wave method with the local spin density approximation.     

Continuous time collocation methods for Volterra-Fredholm integral equations

Summary Integral equations of mixed Volterra-Fredholm type arise in various physical and biological problems. In the present paper we study continuous time collocation, time discretization and their global and discrete convergence properties.     

Optical spectroscopy of Yb/Er codoped NaY(WO4)2 crystal

Erbium and ytterbium codoped double tungstates NaY(WO₄)₂ crystals were prepared by using Czochralski (CZ) pulling method. The absorption spectra in the region 290-2000 nm have been recorded at room temperature. The Judd-Ofelt theory was applied to the measured values of absorption line strengths to evaluate the spontaneous emission probabilities and stimulated emission cross sections of Er³⁺ ions in NaY(WO₄)₂ crystals. Intensive green and red lights were measured when the sample were pumped by a 974 nm laser diode (LD), especially, the intensities of green upconversion luminescence are very strong. The mechanism of energy transfer from Yb³⁺ to Er³⁺ ions was analyzed. Energy transfer and nonradiative relaxation played an important role in the upconversion process. Photoexcited luminescence experiments are also fulfilled to help analyzing the transit processes of the energy levels.     

Properties of reflected sunlight derived from a Green's function method

The inference of optical depth and particle size of clouds and aerosols using remotely sensed reflected radiance at solar wavelengths has received much attention recently. The information these measurements provide is path integrated. However, very little is known about the vertical distribution of this weighting. To characterize it, we first solve the radiative transfer equation (RTE) by a Green's function approach, and then investigate the sensitivity of the weighting to vertical inhomogeneities in the extinction by introducing a function that is closely related to the Green's function, herein called the contribution function. This function calculates the contributions to the radiance at the upper boundary of the medium by underlying layers. Three hypothetical clouds of identical optical depth but exhibiting different extinction profiles were used in this study. The contribution function was found very sensitive to the extinction profile. The global reflection and transmission matrices used to construct the Green's function, derived using an eigenmatrix method, resulted in an efficient, stable, and accurate method for calculating the emerging radiances that can be extended to multi-layered media.     

MULTI-MODE TRIMMING OF IMPERFECT THIN RINGS USING MASSES AT PRE-SELECTED LOCATIONS

This paper presents a practical method for trimming the natural frequencies of an initially imperfect ring to simultaneously eliminate certain of the frequency splits present. Compared with previous work, the novel feature of this method is that the trimming masses are positioned at pre-selected locations on the ring. The basis for the proposed method is the concept of equivalent imperfection mass, which allows any imperfect ring to be considered as a perfect ring with equivalent imperfection masses attached. By considering this trimming problem it is deduced that it is possible to trim N pairs of modes simultaneously by removing (a minimum of) 2 N trimming masses at particular locations around the ring. By positioning the trimming masses at pre-selected locations, it is shown that a simple set of trimming masses can be calculated easily, and from this set an infinite number of solution sets can be found. Methods for generating these sets are outlined for the trimming of both a single and a dual pair of modes. In practice, it is likely that the trimming masses will be spaced regularly. For this special case, it is found that it is not possible to trim all single- and dual-mode pairs with any arrangement of masses. Validation of the derived simple solution set and the proposed procedure to generate further sets is achieved by studying a number of theoretical examples.     

The Effect of Boundary Conditions on Gas-phase Synthesised Silver Nanoparticles

We have prepared spherical non-agglomerated silver nanoparticles by an evaporation–condensation–dilution/cooling technique. Silver was evaporated from a crucible in a tubular flow reactor. A porous tube diluter was used to quench the carrier gas at the outlet of the reactor to enhance the formation of small particles and to suppress agglomeration and other particle growth mechanisms. The number size distribution of the prepared particles was measured with a differential mobility analyser–condensation nucleus counter combination and the size and the shape of the particles were analysed with transmission electron microscope. The system was modelled using a sectional aerosol dynamics computer code to estimate the importance of different aerosol processes. In all conditions the particles obtained were non-agglomerated and spherical. The mean particle diameter varied from 4 to 10-nm depending on boundary conditions. From the modelling studies it can be concluded that the nucleation rate is the most important parameter controlling the final particle size.     

Multifunctional ToF-SIMS: combinatorial mapping of gradient energy substrates

We present a simple method for chemical modification of chlorosilane self-assembled monolayers (SAMs) on Si surfaces by exposure to a gradient of UV-ozone radiation to create stable substrates with a range of contact angles (θ_H2O≈5–95°) and surface energies on a single substrate. These gradient energy substrates are developed to potentially generate libraries for combinatorial studies of thin film phenomenology, where a systematic variation of interfacial surface energy represents one of the significant parameters along one axis. The graded oxidation process presents a systematic variation of surface chemical composition. We have utilized contact angle measurements and time-of-flight secondary ion mass spectrometry (ToF-SIMS) to investigate this variation for a series of ions, among which are SiCH₃⁺, SiOH⁺ and COOH⁻. We show that the macroscopic measurements of surface free energy/contact angle correlate with the detailed analysis of surface chemistry (as assessed by ToF-SIMS) on these test substrates.     

On a recursive method for the estimation of unknown parameters of partially observed chaotic systems

We investigate a recently proposed method for on-line parameter estimation and synchronization in chaotic systems. This novel technique has been shown effective to estimate a single unknown parameter of a primary chaotic system with known functional form that is only partially observed through a scalar time series. It works by periodically updating the parameter of interest in a secondary system, with the same functional form as the primary one but no explicit coupling between their dynamic variables, in order to minimize a suitably defined cost function. In this paper, we review the basics of the method, and investigate its robustness and new extensions. In particular, we study the performance of the novel technique in the presence of noise (either observational, i.e., an additive contamination of the observed time series, or dynamical, i.e., a random perturbation of the system dynamics) and when there is a mismatch between the primary and secondary systems. Numerical results, including comparisons with other techniques, are presented. Finally, we investigate the extension of the original method to perform the estimation of two unknown parameters and illustrate its effectiveness by means of computer simulations.