Role of the microstructure on the transport properties of Y-doped zirconia and Gd-doped ceria

Transmission electron microscopy characterizations and XPS analyses have allowed us to show the influence of the microstructure and nanochemistry on the transport properties of Y₂O₃-(9 mol%)-stabilized zirconia (YSZ) and Gd₂O₃ (10 mol%)-doped ceria (GDC). The grain boundary electrical conductivity (σ_gb) and oxygen diffusion coefficient (D_o) of conventional YSZ ceramics increase with the grain size, while an opposite behavior was found for GDC samples. This difference was attributed to glassy precipitates present at YSZ grain boundaries. Furthermore, it was shown that kinetic demixing processes take place during cooling, at the end of sintering. This causes important changes in the cationic species distribution at interfaces and plays an important role on the transport properties of these two materials. Paper presented at the 9th EuroConference on Ionics, Ixia, Rhodes, Greece, Sept. 15 – 21, 2002.     

Sensitivity of trust-region algorithms to their parameters

In this paper, we examine the sensitivity of trust-region algorithms on the parameters related to the step acceptance and update of the trust region. We show, in the context of unconstrained programming, that the numerical efficiency of these algorithms can easily be improved by choosing appropriate parameters. Recommended ranges of values for these parameters are exhibited on the basis of extensive numerical tests. MSC classification: 65K05, 90C26, 90C30     

Quantum-Chemical Study of the Profiles of Reactions that Form Pyrrole Anion N-Adducts with CS<Subscript>2</Subscript> and CO<Subscript>2</Subscript>

The profiles of reactions leading to pyrrole anion N-adducts with CO₂ and CS₂ have been studied by the ab initio (RHF/6-31+G*, MP2/6-31+G*) and density functional (B3LYP/6-31+G*) methods. Addition of the pyrrole anion to the carbon disulfide molecule is accompanied by the appearance of a minimum corresponding to a pre-reaction complex. The transformation of the complex to the N-pyrrolyldithiocarboxylate anion occurs via a low activation barrier, which is due to repolarization of the C=S bonds. The profile of the reaction leading to the pyrrole anion N-adduct with CO₂ does not contain any intermediate stationary points throughout the whole route from reagents to products.Original Russian Text Copyright © 2004 by V. B. Kobychev, N. M. Vitkovskaya, I. L. Zaitseva, and B. A. Trofimov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 990–993, November–December, 2004.     

Influence of Pretreatment of Expanded Graphite on Its Sorption Properties with Respect to Petroleum

Petroleum sorption on expanded graphite prepared from residual graphite hydrosulfate at 300-900°C was studied as influenced by pretreatment of the sorbent with water.     

Optical and photoelectric properties of helical quantum wires

The appearance of a steady current in a helical quantum wire under circularly polarized light is predicted. The effect is associated with the appearance of a travelling electromagnetic wave in the coordinate system related to the wire, the wavelength being determined by the period of the helix. The gyrotropy of a medium consisting of parallel quantum wires is considered.     

Annihilation of positrons in hydrogen-saturated titanium

The effect of atomic hydrogen on the electronic structure of α-titanium samples is studied using the electron-positron annihilation methods. It is shown that different states of hydrogen atoms are manifested in different ways in the positron lifetime distribution spectrum. The results of theoretical calculations of the first component of the positron lifetime are in accord with the obtained experimental data.     

Degradation of Metal 2-Acrylamido-2-methylpropanesulfonate-N-Vinylpyrrolidine Copolymers in Aqueous Solutions Containing Different Cations

The influence of single- and double-charged cations on degradation of metal 2-acrylamido-2-methylpropanesulfonate-N-vinylpyrrolidine copolymers in aqueous solutions in the presence of potassium peroxodisulfate, K₂S₂O₈, at 50 and 70°C was studied by viscosimetry.     

Excited-state dynamics in Yb3+-Ho3+-doped fluoroindate glasses

This work has been partially supported by Gobierno Autonomo de Canarias under contact number 226–265/93.