Kristallstruktur und Pseudosymmetrie einer neuen Modifikation von Kaliumhexachloroniobat(V), KNbCl6. Anmerkungen zur kubischen Phase

Crystal Structure and Pseudosymmetry of a New Modification of Potassium Hexachloroniobate(V), KNbCl₆. Comments on the Cubic Phase Long needles of KNbCl₆ – invariably twinned around [100] – are obtained if the material is crystallized from SOCl₂ solution. The structure has been determined from X-ray data collected with a single-crystal diffractometer at room temperature [space group P2₁/n, Z = 16, a = 6.894(1), b = 22.073(4), c = 23.337(3) Å, β = 91.00(1)°, R = 0.032 for 2 909 unique reflexions, 290 structural parameters]. Distorted NbCl₆^? octahedra and ?interstitial’? K⁺ ions are found to form similar arrangements, each of them corresponding to a closest packing of spheres with the layer sequence ACAB (stacking symbol hc). The resulting asymmetry in coordination by potassium is coupled with a strong off-centre displacement of the Nb atoms in any of the four independent chlorine polyhedra (0.14 Å on average). A pronounced pseudosymmetry accounts for the twinning. Since P2₁/m2₁/n2₁/b (no. 62) is already a good approximation of the real structure, only one formal step of symmetry reduction (index t2) is needed to create both, the observed twin law and the actual space group P1 2₁/n1. Above 180°C a reconstructive phase transition leads to the ‘face-centred cubic’ modification with ～ 10% lower density.     

单向应力条件下松弛时间率相关的非线性粘弹性本构模型

基于单向拉伸实验研究和内变量理论 ,提出了一种新的简单的一维非线性粘弹性本构关系 .对两种粘弹性材料 ,即高密度聚乙烯和聚丙烯进行了不同加载速率作用下的拉伸实验研究 ,实验结果表明 ,两种材料的应力应变关系与加载速率相关 ;对材料的应力应变实验数据进行拟合发现 ,材料的松弛时间具有很强的应变率相关性 ,当应变率发生数量级变化时 ,材料的松弛时间也发生数量级的变化 .采用内变量理论 ,导出了在单轴应力条件下松弛时间率相关的非线性粘弹性本构关系的迭代形式 ,并给出其收敛条件 .当采取一次迭代形式时 ,本构关系退化为松弛时间率相关的Maxwell模型 .数值拟合的结果表明 ,一次迭代形式的本构关系就可以很好地拟合和预测实验结果 .     

Net information measures for modified Yukawa and Hulthén potentials

The dimensional analyses of the position and momentum variances‐based quantum mechanical Heisenberg uncertainty measure, as well as the entropic information measures given by the Shannon information entropy sum and the product of Fisher information measures are carried out for two widely used nonrelativistic isotropic exponential‐cosine screened Coulomb potentials generated by multiplying the superpositions of (i) Yukawa‐like, ?Z(e^?μr/r), and (ii) Hulthén‐like, ?Zμ(1/(e^μr ? 1)), potentials by cos(bμr) followed by addition of the term a/r², where a and b ≥ 0, μ are the screening parameters and Z, in case of atoms, denotes the nuclear charge. Under the spherical symmetry, all the information measures considered are shown to be independent of the scaling of the set [μ, Z] at a fixed value of μ/Z, a, and b and the other parameters defining the superpositions of the potentials. Numerical results are presented, which support the validity of the scaling properties. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Nonlocality as a feature of the physical world

Aprediction puzzle leads to a form ofnecessary realism which forces the rejection of a central tenet of the Copenhagen interpretation. This leads to reconsidering conceptual difficulties related to Bell's locality premise. It is shown that aparadox of elementary probability theory puts new light on Bell's assumption that causality and statistical independence are mutually incompatible. Nemo dat quod non habet : No one can offer more than he has ability to give; in that spirit, this paper is dedicated to the memory of J.S. Bell.     

Graph theoretical procedure for obtaining analytical expressions of eigenspectra of linear chains and cycles with alternant vertex weights and same edge weight: Application to some complicated graphs

A graph theoretical procedure for obtaining eigenvalues of linear chains and cycles having alternant vertex weights (h₁, h₂, h₁, h₂, h₁, h₂, …) and the same edge weight (k) have been developed. The eigenvalues of some complicated graphs, such as graphs of linear polyacenes, methylene‐substituted linear polyacenes and cylindrical polyacene strips, stack graphs, and reciprocal graphs have been shown to be generated in closed analytical forms by this procedure. Many such graphs represent chemically important molecules or radicals. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

The indenter tip radius effect in micro- and nanoindentation hardness experiments.

Nix and Gao established an important relation between the microindentation hardness and indentation depth. Such a relation has been verified by many microindentation experiments (indentation depths in the micrometer range), but it does not always hold in nanoindentation experiments (indentation depths approaching the nanometer range). Indenter tip radius effect has been proposed by Qu et al. and others as possibly the main factor that causes the deviation from Nix and Gao's relationship. We have developed an indentation model for micro- and nanoindentation, which accounts for two indenter shapes, a sharp, conical indenter and a conical indenter with a spherical tip. The analysis is based on the conventional theory of mechanism-based strain gradient plasticity established from the Taylor dislocation model to account for the effect of geometrically necessary dislocations. The comparison between numerical result and Feng and Nix's experimental data shows that the indenter tip radius effect indeed causes the deviation from Nix-Gao relation, but it seems not be the main factor. The project supported by the National Natural Science Foundation of China (10121202) and the Ministry of Education of China (20020003023)     

Modified Wave Particle Duality and Black Hole Physics

de Broglie relation is revisited, in consideration of a generalization of canonical commuting relation. The possible effects on particle's localization and black hole physics are also discussed, in a heuristic manner.     

A molecular mechanics approach for analyzing tensile nonlinear deformation behavior of single-walled carbon nanotubes

In this paper, by capturing the atomic information and reflecting the behaviour governed by the nonlinear potential function, an analytical molecular mechanics approach is proposed. A constitutive relation for single-walled carbon nanotubes (SWCNT’s) is established to describe the nonlinear stress-strain curve of SWCNT’s and to predict both the elastic properties and breaking strain of SWCNT’s during tensile deformation. An analysis based on the virtual internal bond (VIB) model proposed by P. Zhang et al. is also presented for comparison. The results indicate that the proposed molecular mechanics approach is indeed an acceptable analytical method for analyzing the mechanical behavior of SWCNT’s. The project supported by the National Natural Science Foundation of China (10121202, 90305015 and 10328203), the Key Grant Project of Chinese Ministry of Education (0306) and the Research Grants Council of the Hong Kong Special Administrative Region, China (HKU 7195/04E).     

基于偏序关系的Rough集模型及其应用

在标准Rough集理论的指导下,利用偏序关系性质构造了不同分类,并以此为基础探讨了上、下近似集,从而构建了基于偏序关系的Rough集模型。新模型将Rough集理论的应用范围由等价关系扩展到偏序关系。为了更好地增强模型的实用性和灵括性,一方面从程度、精度、概率等角度出发分别对其进行了扩展,另一方面引入依赖度使其适用于研究各种非严格的偏序关系。给出了实例分析,并结合现实生活中的现象阐述了模型的应用价值。     

横向型企业集群供应链关系模型研究

在分析横向型企业集群供应链特点的基础上,侧重于从物流方面阐述了横向型企业集群内制造商与其上下游企业间的供应链关系,以及制造商与制造商之间的供应链关系.同时结合当前横向型企业集群存在的问题,从改善其供应链关系的角度构建了水平集成型虚拟组织供应链模型,并给出了一个应用案例.