Effect of a low magnetic field on crystallinity and magnetic susceptibility of molecular magnet {NBu4[FeCr(ox)3]}x (NBu4=tetra( n-butyl) ammonium ion; ox=oxalate ion)

Molecular magnet {NBu₄[Fe Cr(ox)₃]}_x (NBu₄⁺=tetra(n-buty1) ammonium ion; ox²⁻=oxalate ion) was synthesized under an applied low magnetic field of 0.3 T in comparison to that synthesized without a field. Their crystallinities, morphologies and magnetic properties were characterized by using the X-ray diffractionmeter, the transmission electron microscope, and a superconducting quantum interference device. It is found that the average size of particles synthesized under the applied field appears larger than that synthesized without a field. Moreover, its crystallinity, morphology and magnetic susceptibility have also been improved. However, its chemical structure and ferromagnetic phase transition temperature T_c do not change. Possible reasons to explain this effect are also discussed.     

Exponential convergence for one dimensional contact processes

The complete convergence theorem implies that starting from any initial distribution the one dimensional contact process converges to a limit ast. In this paper we give a necessary and sufficient condition on the initial distribution for the convergence to occur with exponential rapidity.This work was discussed while the authors were visiting the Nankai Mathematics Institute in Tianjin.Partially supported by the National Science Foundation, the Army Research Office through the Mathematical Sciences Institute at Cornell University, and a Guggenheim fellowship.Research supported by the National Science Foundation of China.     

Transversely polarized parton densities,their evolution and their measurement

The transverse spin asymmetry of a quark in a baryon and the linear polarization of a gluon in a vector meson are studied from thet-channel point of view. Using the Altarelli-Parisi approach, they are shown to obey independent evolution equations and to decrease with increasingQ ². We investigate the possibility to measure them at leading twist, to leading order in α and α_s and without analyzing the final polarizations. This requires simultaneous polarization of the beam and the target; the observable effect is in the azimuthal distribution of the highP _T particle or jet. Assuming a simple (quark+scalar diquark) model for the baryon, a large asymmetry is expected inp \(\bar p\) Drell-Yan collisions, a smaller one in highP _T pp collisions, from the interference term in the scattering of two identical quarks.     

Percolation and electrical resistivity in the YBa2Cu3O7−Ag composite system

We have measured the resistivity of the YBa₂Cu₃O₇–Ag composite system with Ag volume fraction,p _Ag ranging from 0–100%. The percolation behavior and the normal-state resistivity are studied. We find a three-dimensional threshold for the Ag matrix occurring atp _Ag 20% and a threshold for the superconducting matrix occurring at 1–p _Ag30%. The electrical resistivity is interpreted in terms of a resistivity model for granular YBa₂Cu₃O₇ proposed by Halbritter et al. [Z. Phys. B —Condensed Matter71, 411 (1988)]. Based on this model, we show that the resistivities between the YBa₂Cu₃O₇ grains and flaws in the grains are greatly diminished in the samples, indicating significantly improved grain growth behavior of the YBa₂Cu₃O₇ phase resulting from the addition of Ag. With the diminishing of the grain boundary resistivities, an intrinsic value for the temperature coefficient of resistivity, (1/gr)(d/dT), can be inferred, which is 3.3×10^–3/K at 300 K. This value is very close to that observed in the Cu–O₂ planes in single crystals and epitaxial films of YBa₂Cu₃O₇.     

The asymptotic properties of the multichannel autoregressive spectral estimates

If we fit a-vector stationary time series using observationsx(1), ...,x(T) with AR models , then the spectral densityf() of {x(t)} can be estimated byf _k ^(T) ()=(2)^– A _k ^(T) (e ^–)^–1 _k ^(T) A _k ^(T) (e ^–i)^–, where are estimates of the variance matrix of(t), the residuals of the best linear prediction. By extending some results for the scalar case, this paper treats the asymptotic properties of the estimates in the multichannel case.     

Electronic properties of polyoxometalates: a DFT study of alpha/beta-[XM(12)O(40)](n-) relative stability (M=W, Mo and X a main group element)

Keggin heteropolyanions [XM(12)O(40)](n-) have various isomeric structures, alpha and beta being the most common. Conventionally, the alpha structure appears to be the most stable, but calculations carried out at the DFT level for X = P(V), Si(IV), Al(III), As(V), Ge(IV), and Ga(III) and M = W(VI) and Mo(VI) show that this stability depends on several factors, particularly on the nature of the heteroatom (X) and the total charge of the cluster. In this paper, we apply the clathrate model to the Keggin molecule to carry out a fragment-interaction study to elucidate when and why the traditional relative stability of various isomers can be inverted. The fully oxidized anions that have inverted the traditional stability trend in this series are [AlW(12)O(40)](5-) and [GaW(12)O(40)](5-), both of which contain a third-group heteroatom and an overall charge of -5. beta-isomers are always more easily reduced than alpha-isomers. This experimental observation suggests that reduction favors the stability of beta-isomers and one of the most important results of this study is that the alpha/beta inversion is achieved in most cases after the second reduction. The alpha- and beta-isomers may have different properties because the energy of the LUMO, a symmetry-adapted d(xy)-metal orbital, is different.     

Semiconducting organic polymer from polyacrylamide–Cu++ chelate and iodine

Semiconducting organic polymer was obtained by the modification of polyacrylamide (PAAm)–Cu⁺⁺ chelate with iodine in acetone. Favorable conditions for preparing the chelate effective for the conduction were investigated. Surface resistivities were affected by the amounts of cupric salts and iodine, satisfactory results being given by about 25 wt % of the salts based on PAAm and more than 1 wt % of iodine on the chelate. The conductivity was also varied with the degree of neutralization of the chelate in solution, and optimal values were obtained by addition of about an equimolar amount of potassium hydroxide to cupric salts. Effective structures of the polymer chelate in solution were assumed on the basis of the visible and the NMR spectra and potentiometric titration.     

Analysis and parametric sensitivity of the behavior of overshoots in the concentration of a charged adsorbate in the adsorbed phase of charged adsorbent particles: practical implications for separations of charged solutes

In this work, an analysis of the parametric sensitivity of the overshoot in the concentration of the adsorbate in the adsorbed phase, which occurs under certain conditions during an ion-exchange adsorption process, is presented and used to suggest practical implications of the concentration overshoot phenomenon on operational policies and configurations of chromatographic columns and finite bath adsorption systems. The results presented in this work demonstrate and explain how the development of an overshoot in the concentration of the adsorbate in the adsorbed phase could be enhanced or suppressed by (i) varying the diffusion coefficient, D3, of the adsorbate relative to the diffusion coefficients, D1 and D2, of the cations and anions, respectively, of the background/buffer electrolyte, (ii) altering the initial surface charge density, delta0, of the charged adsorbent particles, (iii) varying the Debye length, lambda, and (iv) changing the initial concentration, Cd3(0), of the adsorbate in the bulk liquid of the finite bath. The influence of the pH and ionic strength, Iinfinity, of the liquid solution on the development of an overshoot in the concentration of the adsorbate in the adsorbed phase is also presented and discussed through the relationships of these parameters to delta0 and lambda, respectively. Furthermore, a detailed explanation of the effects of each parameter on the interplay between the diffusive and electrophoretic molar fluxes, as well as on the structure and functioning of the electrical double layer, which are responsible for the concentration overshoot phenomenon, is presented.     

Study on structural variation of silica gel using Nd3+ as a probe by photoacoustic spectroscopy

The structural variations of silica gels heated at different temperatures have been firstly studied using Nd(3+) as a probe by photoacoustic spectroscopy (PAS), together with IR spectroscopy and thermal analysis. With increasing temperature, the f-f transitions of Nd(3+) show a red shift and the PA intensities increase. The PA branching vector of the transitions from ground state to 4G(5/2)+(2)G(7/2), which are hypersensitive transitions, increase and the others decrease or change little. These indicate that the covalency of the bond that Nd(3+) forms increases and the symmetry around Nd(3+) decreases, which reflects the structural variations of silica gels.