Ion solvation of aqueous solutions of alkali, alkaline earth, and transition metal halides

The published data on the density and velocity of ultrasound are used to determine the ion solvation parameters of sodium, magnesium, and cobalt chlorides. It is shown that the solvation of typical coordination compounds, such as cobalt chloride, is determined by the same underlying systems and interactions as that of electrolytes with ions of alkali and alkaline earth metals.     

Mathematical modeling of flow in sound-absorbing structures of resonance type in the presence of a grazing flow

Sound-absorbing structures of resonance type are studied on the basis of integration of the unsteady Reynolds-averaged Navier-Stokes equations. The formation of the boundary layer over a sound-absorbing panel is compared with that on a flat plate in the presence of an incident wave. The dependence of the panel reflection coefficient on the presence of a grazing flow and the boundary layer thickness is investigated. The results of the numerical experiment are compared with the available experimental data.     

Mathematical modeling of polymer film casting under biaxial stretching taking into account heat transfer

Polymer film casting is studied using a modified Vinogradov-Pokrovskii rheologicalmodel with heat transfer taken into account. Dependences of the film temperature, velocity, and width on the distance to the extruder exit was obtained and the effect of model parameters on these dependences was examined.     

High pressure study on the superconducting transition temperature and Hall coefficient of Ba1−xKxBiO3 up to 8 GPa

The superconducting transition temperature (T_c) of Ba_0.62K_0.38Bio₃ (T_c=30 K) has been measured under high pressure up to 8 GPa. It is observed that T_c increases initially with pressure, as reported by Uwe et al., Shirber et al. and Huang et al., but decreases above 4 GPa. The Hall coefficient of Ba_0.62K_0.38BiO₃ has been measured up to 1.2 GPa. The absolute value of the Hall coefficient decreases with pressure by 10% GPa, the value of which is almost the same as that obtained in most CuO-based high-temperature superconductors.     

A quantum-topological analysis of short (strong) H bonds in three-dimensional periodic crystals

The characteristics of the critical electron density points of the O-H···A fragment (A = O or N) in molecular crystals with short H bonds were analyzed in terms of the Bader quantum-topological theory of molecular structure. The wave functions (B3LYP/6-31G** approximation) of the ground state of 26 three-dimensional periodic crystals with experimentally determined structures were used. Intermediate-type interactions separating the limiting cases of covalent and closed shell-type interactions were found to be characterized by the following geometric parameters: 2.45 Å ≤ D(O···O) ≤ 2.6 Å, 1.35 Å ≤ d(H···O) ≤ 1.65 Å, and 1.0 Å ≤ d(O-H) ≤ 1.10 Å. Such interactions are observed in molecular crystals with the O-H···A fragment and high bridge proton mobility. Differences between H···O and H···N interactions were quantitatively characterized by the dependence of ρ _b on d(H···A), where A = O or N. The dependence parameter values were shown to be determined by the nature of the A atom that forms the H bond. The influence of the crystalline environment on systems with strong H bonds manifested itself by changes in the position of the bridge proton. The d(O-H)/d(H···O) ratio was, however, the same for gas-phase complexes and molecular crystals with weakly bent O-H···O fragments (∠O-H···O > 160°).     

Role of Ti 3d carriers in mediating the ferromagnetism of Co∶TiO2 anatase thin films

We study the surface and bulk electronic structure of the room-temperature ferromagnet Co∶TiO(2) anatase films using soft- and hard-x-ray photoemission spectroscopy with probe sensitivities of ～1 and ～10 nm, respectively. We obtain direct evidence of metallic Ti(3+) states in the bulk, which get suppressed to give a surface semiconductor, thus indicating the difference in electronic structure between surface and bulk. X-ray absorption and resonant photoemission spectroscopy reveal Ti(3+) electrons at the Fermi level (E(F)) and high-spin Co(2+) electrons occurring away from E(F). The results show the importance of the charge neutrality condition: Co(2+)+V(O)(2-)+2Ti(4+)?Co(2+)+2Ti(3+) (V(O) is oxygen vacancy), which gives rise to the elusive Ti 3d carriers mediating ferromagnetism via the Co 3d-O 2p-Ti 3d exchange interaction pathway of the occupied orbitals.     

Current induced exchange switching of magnetic junctions with cubic anisotropy of a free layer

The stability of equilibrium configurations of magnetic junctions with a free layer of cubic anisotropy with two axes in the layer plane has been analyzed. Variants of switching between different configurations have been considered. It has been demonstrated that the possibility exists of considerably decreasing the threshold current density necessary for switching. Numerical simulation of the dynamics of switching between different configurations has been performed.     

Observation of mechanical fracture and corresponding domain structure changes of polycrystalline PbTiO3 nanotubes

PbTiO₃ (PTO) nanotubes (NTs) were synthesized at various temperatures by gas phase reaction between PbO gas and anatase TiO₂ NTs and characterized by piezoresponse force microscopy (PFM). PTO ferroelectric phase was synthesized at as low as 400 °C as evidenced by PFM domain images and piezoresponse hysteresis loop measurement. Furthermore, the PTO NTs fabricated at above 500 °C underwent mechanical fracture through development of nanocracks due to grain growth, leading to ferroelectric domains with larger size and lower aspect ratio. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)