The electronic origin of unusually large nJFN coupling constants in some fluoroximes

SOPPA(CCSD) calculations show that the FC term is the most important contribution to the through‐space transmission of J_FN coupling constants for the fluoroximes studied in this work. Because of the well‐known behavior of FC term, a new rationalization for the experimental ^TSJ_FN SSCC is presented. It is mainly based on the overlap matrix (S_ij) between fluorine and nitrogen lone pairs obtained from NBO analyses. An expression is proposed to take into account the influence of the electronic density (D_ij) between coupled nuclei as well as the s% character at the site of the coupling nuclei of bonds and non‐bonding electron pairs involved in D_ij. In using this approach, a linear correlation between ^TSJ_FN versus D_ij is obtained. The most important aspect of this rationalization is related to the facility for understanding the behavior of some unusual experimental coupling constants. It is shown that, at least in this case, the electronic origin of the so‐called through‐space coupling is transmitted through to the overlap of orbitals on the coupled atoms, suggesting that, at least for these compounds, instead of through‐space coupling, it should better be dubbed as ‘through overlapping orbital coupling’. Copyright © 2013 John Wiley & Sons, Ltd.     

Nanoscratch-induced deformation behaviour in B4C particle reinforced ultrafine grained Al alloy composites: a novel diagnostic approach

We report on the novel application of nanoscratch characterization to provide insight into the plasticity mechanisms responsible for the behaviour of composites. Accordingly, we conduct deformation characterization with nanoscratch testing (DCNT) to study the deformation behaviour of two B₄C reinforced ultrafine grained Al alloy tri-modal composites with average B₄C particle sizes of ~1–6?μm and ~500?nm, respectively. To highlight the type of mechanistic information revealed in a DCNT study of composites, we concentrate on the influence of B₄C particle size on deformation mechanisms.     

外磁场下XY模型中两量子位热纠缠的性质及其调控研究

在海森堡XY模型中,为了统一研究均匀磁场和非均匀磁场对系统热纠缠的影响,在两个量子位分别施加独立可控的外磁场(B+b)和(B-b). 发现在均匀磁场和低温条件下的纠缠度有一个稳定的平台区并发生纠缠突变. 控制磁场不均匀度b和选择合适的材料就可以获得最有利的纠缠,并大大提高系统退纠缠的临界温度T_c. 调节磁场的B值,可以在更宽的温度范围内实现此体系的纠缠开关. 关键词： 热纠缠度 密度矩阵 XY模型')" href="#">XY模型     

电阻抗图像重建中Jacobi矩阵的快速算法

Jacobi矩阵是电阻抗图像重建中计算量最大的部份。利用摄动法导出该矩阵的快速算法,可以大幅度地减少计算量。算例表明,这种方法是有效的。     

Inverses and eigenpairs of tridiagonal Toeplitz matrix with opposite-bordered rows

In this paper, tridiagonal Toeplitz matrix (type I, type II) with opposite-bordered rows are introduced. Main attention is paid to calculate the determinants, the inverses and the eigenpairs of these matrices. Specifically, the determinants of an $n\times n$ tridiagonal Toeplitz matrix with opposite-bordered rows can be explicitly expressed by using the $(n-1)$th Fibonacci number, the inversion of the tridiagonal Toeplitz matrix with opposite-bordered rows can also be explicitly expressed by using the Fibonacci numbers and unknown entries from the new matrix. Besides, we give the expression of eigenvalues and eigenvectors of the tridiagonal Toeplitz matrix with opposite-bordered rows. In addition, some algorithms are presented based on these theoretical results. Numerical results show that the new algorithms have much better computing efficiency than some existing algorithms studied recently.     

基于改进的主动控制法实现混沌系统广义投影同步

通过引进特殊矩阵构造并基于Lyapunov稳定性理论,提出了一种改进的主动控制法来实现混沌系统的广义投影同步.改进后的主动控制不依赖于罗斯-霍维兹判据,与未改进的主动控制相比,简化了相关运算步骤和复杂度.通过对混沌能源系统和Nuclear Spin Generator系统的研究,并与其他同步方法进行比较,说明了该方法具有简单,直观,稳健,高效等优点,且对混沌系统的自结构和异结构广义投影同步均适用.数值模拟的结果进一步表明了该方法的有效性和理论分析的正确性. 关键词： 改进的主动控制 广义投影同步 特殊矩阵构造     

Superfluidity with and without a condensate in two and three dimensions

The recent study of He and You [P.-S. He and W.-L. You, Int. J. Mod. Phys. B26, 1250107 (2012)] on the relation between superfluid and condensate densities in a two-dimensional weakly interacting Boson system assumed a δ(x???x′) interaction between two particles at sites x and x′. The main purpose of this article is to point out the sensitivity of the conclusions of He and You to the choice of interaction. Thus, it is known for logarithmic interactions that one can have superfluidity without a condensate. Finally, some related ideas are mentioned in relation to superfluidity in liquid ⁴ He at exceedingly low temperatures.     

Determination of Cadmium and Lead in Sea Water after Extraction Using Electrothermal Atomisation. Minimisation of Interferences from Co-Extracted Sea Salts

Abstract

Interferences from small amounts of sea salt in the determination of cadmium and lead were investigated. Test samples were made to mimic solutions obtained after extraction of sea water for trace metal analysis. Sea salt concentrations in the range 0–400 mg/l were investigated. Background absorption from this salt was high but easily minimised through the addition of nitric acid (2 % v/v). Sensitivity reductions due to the salt were considerable and varied from one graphite tube to the other. This problem was overcome by the addition of 1000 mg lanthanum per litre of sample. The positive effect of the lanthanum matrix modification is thought to be due to a change of the graphite tube surface.     

Two novel polycyclic spiro lignans from Gymnotheca involucrata

Two novel lignans, gymnothespirolignans A (1) and B (2), possessing a rare polycyclic spiro skeleton, were isolated from the endemic plant of Gymnotheca involucrata Pei. Their structures were determined by spectroscopic evidences and the absolute configurations were confirmed by single crystal X-ray diffraction analysis. Compounds 1 and 2 showed promising antiviral activities against RSV with an IC₅₀ value of 31.87 and 17.51 μM, respectively.