Azine bridged silver coordination polymers: Powder X-ray diffraction route to crystal structure determination of silver benzotriazole

In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P2₁/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer.     

Energy and momentum losses in the process of neutrino scattering on plasma electrons in the presence of a magnetic field

The neutrino-electron scattering in a dense degenerate magnetized plasma under the conditions μ ² > 2eB ≫ μE is investigated. The volume density of the neutrino energy and momentum losses due to this process are calculated. The results we have obtained demonstrate that plasma in the presence of an external magnetic field is more transparent for neutrino than for non-magnetized plasma. It is shown that neutrino scattering under conditions considered does not lead to the neutrino force acting on plasma.     

Interpretive approach to collective effects of electrons in multicenter problems

Interpretive theoretical tools prove valuable in guiding the analysis of experiments in the realm of atomic clusters. Here, we review basic elements of an analytic approach that makes it possible to find and visualize the effective electrostatic potential and Coulomb correlations in multicenter problems. To illustrate the utility of these concepts we apply them to exploring molecular-doped metallic clusters. This study is aiming at a systematic, visual assessment of changes induced in screening, Coulomb correlation and effective potential by varying the charge of the electronegative impurity and its position in the cluster cage.     

Spectral stability of the Coulomb-Dirac Hamiltonian with anomalous magnetic moment

We show that the point spectrum of the standard Coulomb-Dirac operator H₀ is the limit of the point spectrum of the Dirac operator with anomalous magnetic moment H_a as the anomaly parameter tends to 0. For negative angular momentum quantum number κ, this holds for all Coulomb coupling constants c for which H₀ has a distinguished self-adjoint realisation. For positive κ, however, there are some exceptional values for c, and in general an index shift between the eigenvalues of H₀ and the limits of eigenvalues of H_a appears, accompanied with additional oscillations of the eigenfunctions of H_a very close to the origin.     

Inorganic Sol-Gel Preparation of Medium Sized Microparticles of Li2TiO3 from TiCl4 as Tritium Breeding Material for Fusion Reactors

Microspheres of Li₂TiO₃ were fabricated by a classical, inorganic sol-gel process from commercially available TiCl₄. Elaborated process consists of the following main steps: (1) dissolving of TiCl₄ in concentrated aqueous HCl and addition of LiOH; (2) formation of sol emulsion in 2-ethylhexanol-1 containing the surfactant SPAN-80 (EH); (3) gelation of emulsion drops by extraction of water with partially dehydrated EH; (4) impregnation of gel to Li:Ti molar ratio MR = 2; (5) thermal treatment at 1200°C in order to receive chloride free product. This temperature can be significantly lowered (to 750°C) by dechlorination starting solution TiCl₄ by chemical treatment of the with nitric acid to form of nitrate-stabilized titania sols. Tritium release from sol-gel made Li₂TiO₃ microspheres were found very close to that observed for other traditional materials, however for the first sample process starts slightly earlier.     

Predicting the onset of DNA supercoiling using a non-linear hemitropic elastic rod

Elastic rod models provide a means to interpret single molecule DNA experiments as well as predict DNA behavior under physiological conditions. Here we use an elastic rod model to predict the stability boundary (critical torque vs. applied tension) for single molecule DNA experiments in which the molecule is subjected to applied tension and twist. We discuss the shortcomings of the usual isotropic rod model. We then derive a consistent non-linear material law from the general representation for a hemitropic (chiral) rod. Finally, we present results of a standard bifurcation analysis predicting the stability boundary. We find results from the non-linear hemitropic rod to match the data closely.     

铁磁介质捕捉顺磁颗粒的动力学模型

 通过对磁场状态、流体速度分布等因素的综合考虑，提出了在磁分离技术中捕捉顺磁颗粒 机理的动力学模型，得到了捕捉机理的物理解释；通过考察用高梯度磁选对精煤 进行的脱硫降灰试验结果,发现由于介质被磁化, 磁化场与背景磁场相叠加, 磁场 分布不具有轴对称性, 对顺磁颗粒的捕捉半径的概念很大程度上是不准确的. 根 据J.E.Nesset 和J.A. Finch静态聚集模型,提出了捕捉范围的概念,其捕捉区和排 斥区的分界线为一简单双曲线, 并因此得到捕捉横断面积的新计算公式.     

等厚双层涂层材料受集中力作用的平面问题理论解

界面应力的正确评价是分析薄膜涂层材料力学特性的难题之一。利用镜像点法和Dirichlet等值性原理，本文推导了等厚双层薄膜涂层材料受表面集中力作用的平面问题理论解。该显式理论解是以固定在各镜像点上的局部坐标系下的Goursat应力函数的形式给出的。对应于高阶镜像点的应力函数，可通过递推的方法，从对应于低阶镜像点的应力函数求得，而且也易于计算机编程。随着镜像点阶数的增大，它与界面的距离也越来越大，因而相对应的应力函数对界面应力的影响越来越小。最后的算例表明，只需考虑前面有限个镜像点，便可获得足够精度的解。该理论解可作为格林函数，以求解复杂问题的理论解，也可用作边界元法的基本解，提高数值计算的精度和效率。     

X-ray damage characterization in BaLiF3,KMgF3 and LiCaAlF6 complex fluorides

Two-inch sized KMgF₃,BaLiF₃ and LiCaAlF₆ (LiCAF) single crystals were grown by the Czochralski method under a CF₄ atmosphere. X-ray irradiation was used to carry out a comparative study of induced optical absorption phenomena and colour centre creation in the ultra-violet and visible spectral regions. The integral of the induced absorption spectra is significantly lower in LiCAF with respect to the other studied materials. It is found that the amplitude of the F-absorption band is suppressed more than a factor of 3 by Mg-doping. For Mg-doped crystals, the optimum doping concentration is about 0.2 mol% of Mg²⁺.     

Electron-active cyclotron resonance in p-doped InMnAs in high magnetic fields

We present a theoretical and experimental study of electron-active cyclotron resonance in p-doped InMnAs in high magnetic fields. Results are based on an 8-band Pidgeon–Brown model generalized to include finite k_z effects and s(p)–d exchange interaction between itinerant carriers and Mn d-electrons. The e-active transitions in the valence band in p-doped samples take place due to the nature of multiple valence bands (heavy and light holes). We have calculated the absorption spectra in high magnetic fields and identified optical transitions which contribute to the cyclotron resonance for both e-active and h-active polarizations. Calculations show agreement with experimental results.