Development and investigation of perovskite (ABO3)-type oxides for power generation

Critical problems of the present approach of electrolytes for Solid Oxide Fuel Cells (SOFCs) for commercialization are discussed. Major progress is expected from the development of materials based on the “SEA (Single Element Arrangement)” concept. The galvanic cell consists in this case basically of a single chemically homogeneous compound, which functions as electrodes at high and low activity and as electrolyte at intermediate activities of the electroactive component. In view of the large structural flexibility of the chemical nature of the constitutents, we explored perovskite (ABO₃)-type compounds to be used as SEAs for SOFCs. Results of studies on Pr-substituted LSGM and Fe-substituted SrSnO₃ perovskite-type oxides are presented. For instance, SrSn_1-xFe_xO_3-δ with x=0.1 exhibits p and n-type electronic conduction at the cathode and anode sides of the SOFC, respectively, while oxide ion conduction prevails at intermediate oxygen partial pressures. The SEA concept is also applicable for other devices in the field of Ionics.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Momentum transport and torque scaling in Taylor-Couette flow from an analogy with turbulent convection

We generalize an analogy between rotating and stratified shear flows. This analogy is summarized in Table 1. We use this analogy in the unstable case (centrifugally unstable flow vs. convection) to compute the torque in Taylor-Couette configuration, as a function of the Reynolds number. At low Reynolds numbers, when most of the dissipation comes from the mean flow, we predict that the non-dimensional torque G = T/ν² L, where L is the cylinder length, scales with Reynolds number R and gap width η, G = 1.46η^3/2(1 - η)^-7/4 R ^3/2. At larger Reynolds number, velocity fluctuations become non-negligible in the dissipation. In these regimes, there is no exact power law dependence the torque versus Reynolds. Instead, we obtain logarithmic corrections to the classical ultra-hard (exponent 2) regimes: G = 0.50 . These predictions are found to be in excellent agreement with avail-able experimental data. Predictions for scaling of velocity fluctuations are also provided. Received 7 June 2001 and Received in final form 7 December 2001     

The electrical resistivity of some uranium tellurides

Electrical resistivity of U₃Tein4, U₂Te₃ (cubic) and UTe₃ has been measured over temperature range 4.2–300 K. The two former compounds appear to be semimetallic conductors while the last one has semiconducting character. The results are discussed in the terms of available magnetic data.     

A search technique for global optimization in a chaotic environment

We describe a new algorithm which uses the trajectories of a discrete dynamical system to sample the domain of an unconstrained objective function in search of global minima. The algorithm is unusually adept at avoiding nonoptimal local minima and successfully converging to a global minimum. Trajectories generated by the algorithm for objective functions with many local minima exhibit chaotic behavior, in the sense that they are extremely sensitive to changes in initial conditions and system parameters. In this context, chaos seems to have a beneficial effect: failure to converge to a global minimum from a given initial point can often be rectified by making arbitrarily small changes in the system parameters.     

Three Electrons in a Two-Dimensional Parabolic Trap: The Relative Motion Solution

In agreement with the Kohn theorem the relative motion (rel) of three electrons in a two-dimensional parabolic trap separates from the centre-of-mass (CM) motion. By introducing new coordinates the Hamiltonian for relative motion in the approximation of non-interacting electrons can be taken to the normal form. The eigenstates of the normalized Hamiltonian are products of the Fock-Darwin states for normal modes. The energy levels for relative motion are obtained by diagonalizing the exact Hamiltonian in the eigenbasis for the non-interacting case. In this basis the interaction matrix elements can be obtained in the analytical form. Since the rank of the Hamiltonian matrix is significantly reduced, the calculations are faster and more accurate than those for the full (CM + rel) motion. This advantage is especially important for the calculations of excited states and the analysis of energy spectra.     

Three-dimensional radiative transfer in an anisotropically scattering, semi-infinite medium: generalized reflection function

Three-dimensional radiative transfer in an anisotropic scattering medium exposed to spatially varying, collimated radiation is studied. The generalized reflection function for a semi-infinite medium with a very general scattering phase function is the focus of this investigation. An integral transform is used to reduce the three-dimensional transport equation to a one-dimensional form, and a modified Ambarzumian's method is applied to formulate a nonlinear integral equation for the generalized reflection function. The integration is over both the polar and azimuthal angles; hence, the integral equation is said to be in the double-integral form. The double-integral, reflection function formulation can handle a variety of anisotropic phase functions and does not require an expansion of the phase function in a Legendre polynomial series. Complicated kernel transformations of previous single-integral studies are eliminated. Single and double scattering approximations are developed. Numerical results are presented for a Rayleigh phase function to illustrate the computational characteristics of the method and are compared to results obtained with the single-integral method. Agreement between the two approaches is excellent; however, as the transform variable increases beyond five the number of quadrature points required for the double-integral method to produce accurate solutions significantly increases. A new interpolation scheme produces accurate results when the transform variable is large.     

A comprehensive study of the long pulse Nd:YAG laser drilling of multi-layer carbon fibre composites

The results of an extensive experimental study of the free running Nd:YAG laser drilling of a multi-layer carbon fibre composite, where adjacent layers have differently orientated fibres, are reported. For holes drilled with the laser operating in fixed-Q mode at 1064 nm, parallel sections of blind holes illustrating discontinuities in the hole size along a given section direction will be shown to occur at the interface between adjacent layers. An explanation for this effect is proposed. Detailed single pulse drilling characteristics will be presented illustrating the exit hole diameter as a function of pulse energy and material thickness. These characteristics illustrate a ‘stable' drilling regime in which the exit hole diameters are least sensitive to changes in pulse energy or material thickness and a less ‘stable' regime in which they are more strongly dependent on these parameters. Drilling characteristics will be given for two different beam qualities, illustrating the greater drilling depth and reduced hole size achievable with an improved beam quality. Finally holes drilled through a 2 mm thick sample of material with multiple pulses are considered. Size distribution curves for entrance and exit holes will be presented. The total energy required (number of pulses × pulse energy) to drill through 2 mm thick material will be reported as a function of pulse energy in stationary air and argon atmospheres and in a partial vacuum, illustrating a threshold energy which is dependent upon the drilling atmosphere. The threshold energies will be discussed with reference to plasma formation and the reactivity of the drilling atmosphere.     

Rb saturation spectroscopy with an optically narrowed FM diode laser

A fast-frequency modulated (FM) diode laser has been optically narrowed using the technique of resonant optical feedback, to provide linewidths in each FM mode of ≈ 200 kHz peak-to-peak. With a drive frequency of 50 MHz and modulation index of 0.2, the FM laser has been used for the first time to obtain Doppler-free FM spectra of the Rb D₁ line at 795 nm. The potential use of this system for laser frequency stabilisation is discussed.