Unrestricted Hartree-Fock approximation of the extended emery model

We use an unrestricted self-consistent Hartree-Fock approach to calculate the nature of doping states in the three-band Hubbard model. It turns out that for physically relevant parameter values one hole is localized within a small spin-polarized region where five Cu spins are aligned in the same direction. The spin polarization and binding energy between these spinpolaronic states are investigated as a function of different parameters including a Holstein-type electron-phonon coupling on the Cu sites. At higher doping concentration we observe the occurrence of afmon states where the holes are localized in a ring-shaped area. Inside this ring the antiferromagnetic order parameter has inverse sign with respect to the residual antifer-romagnetically ordered plane.     

Some kinetic aspects of unsteady-state partial oxidation reactions. Dynamic processes on metal oxide surfaces

It is shown that steady-state kinetic data do not allow the discrimination between the redox and associated mechanisms of the partial oxidation reactions. A discrimination between these mechanisms was performed using transient experiments. The obtained rate expressions are in agreement with experimental kinetic data for catalytic partial oxidation of o-xylene.

An influence of the conjugate oxidation of a catalyst surface on dynamics and kinetics of the heterogeneous catalytic oxidative reactions is considered. Computing simulation of methane oxidative coupling of methane reaction at lowered temperature and elevated pressure has been performed. It showed that the reaction order with respect to oxygen exceeding unity is consistent with the chain branching mechanism of the reaction in the presence of TiSi₂ and TiB₂ and showed the important role of the branching chain cycles in the low-temperature OCM reaction at elevated pressure.     

Applications of Telos

EuLisp has an integrated object system with reflective capabilities. We discuss some example applications which use these facilities to experiment with some advanced and powerful concepts, namely, finalization, virtual shared memory and persistence. A secondary goal is to attempt to illustrate the additional possibilities of metaobject programming over non-metalevel techniques.     

Measurement of the tunnel rate in SIS' tunnel junctions as function of bias voltage

Cryogenic detectors with superconducting tunnel junctions can provide an energy resolution improved by at least one order of magnitude compared with standard semiconductor detectors. While the detection principle was already demonstrated many years ago, the past years were dedicated to the transition from the laboratory sample to practical detectors. Our most favored detector design gives rise to tunnel junctions with electrodes of unequal energy gaps. In such hetero tunnel junctions bias conditions can be established which cause a negative signal current. We report the experimental verification of this effect, and we discuss the yield of charge signal of cryogenic detectors based upon superconducting tunnel junctions.     

Longitudinal elastic waves in columns due to earthquake motion

An analysis is presented of longitudinal waves in a thin elastic column. Velocity is specified at one end, and the boundary condition at the other end is expressed in terms of a range of effective impedances of an attached structure. Propagation, reflection and interference of the waves are followed by the method of characteristics. Integration of differential equations along characteristics yields the wave-induced stress, which is then applied to problems of earthquake excitation. Numerical examples are given for recorded updown ground motion of the Kobe Earthquake.     

Synthesis of fine composite particles for hydrogen storage, starting from Mg-YNi2 mixture

We synthesized new composite particles for hydrogen storage on the basis of an idea of “particle designing”. As starting materials, powders of Mg and YNi₂ were selected. Fine composite particles containing mainly Mg₂Ni could be designed by repetitive hydriding and dehydriding cycles at 673 K. In the synthesis process of the composite particles, the following two points were found to be essential for this technique. The first point is that, after being activated by the sequential processes of hydrogenation, amorphization and disproportionation, YNi₂ reacts effectively with Mg. The second point is that evaporated Mg, which occurs during dehydriding, adheres to the surface of the activated YNi₂ and accelerates a diffusion reaction to form Mg₂Ni at the interface. In these composite particles, Mg₂NiH₄ is formed, even at 373 K, under a hydrogen pressure of 5 MPa.     

Bisensors for amino acids

Two kinds of biosensors for amino acids (one with nonspecific enzyme as bioelement, the other with specific enzyme(s) as bioelement), including their principles, applications, recent researches and future trends were discussed in detail. 61 references were given. A part of work for gaining Ph. D in chemical and biochemical application at FPMs (Mons, Belgique) Synopsis of the first author Xia Jinlan, Male, born in 1963, now at Facult’e Polytechnique de Mons, Belgique     

Novel miniature integrated optical goniometers

A new principle and arrangement for directly determining the angle of incidence of an optical beam on an object are proposed and demonstrated. The novelty of the approach lies in the realization of a ‘smart object’, which extracts a portion of the incident beam's power into an optical waveguide attached to the object's surface or embedded in its body for converting the angle of incidence into the position of a guided beam with finite lateral extent. This ‘integrated optical light pointer’ beam is accomplished by means of creating additional degrees of freedom on the target in two different ways. While a first type is based on introducing spatial variations of the waveguide thickness, a second type makes use of a chirp of the grating periodicity. The feasibility for practical applications has been experimentally demonstrated by a direct comparison with a commercial high-resolution encoder, resulting in an r.m.s. error of <30′'. Measurements have been performed for chips fabricated based on replicated polycarbonate substrates and with no external optics, showing the great potential of this approach for realizing low-cost yet high-performance miniature goniometers.