Oxidation of mandelic acid derivatives catalysed by Bi(0)/O2 systems: mechanistic considerations

Mandelic acid and some aryl substituted derivatives were oxidised under molecular oxygen and a catalytic amount of Bi(0). The corresponding aldehydes and/or the carboxylic acids were obtained selectively depending on the nature of the substituent. Aldehydes and α-keto acids were oxidised under the same Bi(0)/O₂ system and α-keto acids were proposed as intermediates in the formation of benzoic acid derivatives.     

Relativistic bond lengthening of UO 2 2+ and UO2

Summary Relativistic calculations on UO₂ [1] have shown that relativity leads to substantial bondlengthening in this compound, in contrast to the bond contraction found almost exclusively for other compounds. The bond lengthening isnot caused by the relativistic expansion of the 5f valence AO of U, which is the primary bond forming orbital on U in UO₂. The origin of the bond lengthening can be traced back to the semi-core resp. subvalence character of the U 6p AO. The valence character of 6p shows up in an increasing depopulation of the 6p upon bond shortening, and hence loss of mass-velocity stabilization. The core character of 6p shows up in large off-diagonal mass-velocity matrix elements 5p|h _MV|6p which are shown to have an overall bond lengthening effect. The larger expansion in UO₂ than in UO ₂ ²⁺ is due to destabilization of U levels in UO₂, caused by repulsion of the two additional 5f electrons.The present analysis corroborates the picture of relativistic bond length effects of Ref. [2].     

Finite-size scaling study of a first-order temperature-driven symmetry-breaking structural phase transition

We present a study of finite-size effects in a model exhibiting a first-order temperature-driven symmetry-breaking structural phase transition in theL × cylindrical geometry in theL limit. Exact studies demonstrate the applicability of our scaling ansatz even in the one-dimensional limit, making this model ideal for studying finite-size effects. The scaling ansatz, similar to the previously developed ansatz for field-driven transitions, demonstrates that latent heat is crucial in driving these transitions. This ansatz is supported by a 2×2 phenomenological transfer matrix based upon the symmetries of the system; this produces an analytic free energy which has the scaling form. Order parameter probability distributions show that the high- and low-temperature phases coexist only in a small finite-size-affected regime near the bulk transition temperature; this regime vanishes exponentially fast asL diverges.     

A Testable Theory for the Emergence of the Classical World

The transition from the quantum to the classical world is not yet understood. Here, we take a new approach. Central to this is the understanding that measurement and actualization cannot occur except on some specific basis. However, we have no established theory for the emergence of a specific basis. Our framework entails the following: (i) Sets of N entangled quantum variables can mutually actualize one another. (ii) Such actualization must occur in only one of the 2^N possible bases. (iii) Mutual actualization progressively breaks symmetry among the 2^N bases. (iv) An emerging “amplitude” for any basis can be amplified by further measurements in that basis, and it can decay between measurements. (v) The emergence of any basis is driven by mutual measurements among the N variables and decoherence with the environment. Quantum Zeno interactions among the N variables mediates the mutual measurements. (vi) As the number of variables, N, increases, the number of Quantum Zeno mediated measurements among the N variables increases. We note that decoherence alone does not yield a specific basis. (vii) Quantum ordered, quantum critical, and quantum chaotic peptides that decohere at nanosecond versus femtosecond time scales can be used as test objects. (viii) By varying the number of amino acids, N, and the use of quantum ordered, critical, or chaotic peptides, the ratio of decoherence to Quantum Zeno effects can be tuned. This enables new means to probe the emergence of one among a set of initially entangled bases via weak measurements after preparing the system in a mixed basis condition. (ix) Use of the three stable isotopes of carbon, oxygen, and nitrogen and the five stable isotopes of sulfur allows any ten atoms in the test protein to be discriminably labeled and the basis of emergence for those labeled atoms can be detected by weak measurements. We present an initial mathematical framework for this theory, and we propose experiments.     

基于光谱曲线形态的高光谱影像检索方法研究

随着传感器技术、数据通讯技术的飞速发展,利用各种机载和星载传感器,己经获取到各种不同的海量遥感影像数据。巨大的数据量带来了数据存储和管理的问题,如何实现从海量影像数据中检索出我们所需要的信息显得十分迫切。影像检索最早由Chang于1980年提出,是对传统信息检索的扩展。针对海量遥感影像高效检索的需求和高光谱遥感影像波段数目多的特点,分析了影像检索中的影像距离函数和相似性度量问题,基于经典的曲线简化Douglas-Peucke算法(简称DP算法)提取光谱曲线的形态特征,利用“提取特征”的思想,提出了基于DP算法的光谱曲线和影像检索(简称DPSR)方法,将光谱形态特征应用于影像检索当中。DPSR利用光谱曲线上的特征点,减小了计算量,实现了有效地匹配和检索,适合高光谱遥感影像的光谱检索。文章选择了OMISI高光谱数据的四种易混分地类进行了相似性度量的对比实验。通过与常规的分析方法光谱角匹配(SAM)、光谱信息散度(SID)的对比可以看到,DPSR在较少计算量的情况下能保持较高的计算精度,提供了一种新的影像光谱高效检索方法。此外,文章还提出了尚待进一步研究的问题。     

预应力索-桁架结构形状优化设计

就预应力索-桁架结构形状优化设计问题,考虑了施加预应力阶段、预应力与荷载共同作用阶段的性态约束条件,建立了设计变量包括截面尺寸、索力值、杆件及索节点坐标的形状优化数学模型;在求解方法上将设计变量分为两个子空间:第一子空间为索力值和截面尺寸优化设计空间,第二子空间为形状优化设计空间; 第一子空间给出新的求解方法以减轻结构重量,第二子空间用节点渐进法优化结构形状和布索位置以增加结构刚度.算例表明,该方法能使结构重量逐步减轻,结构刚度不减,形状逐步达到最优.     

用二级控制法对二维连续体进行形状优化

二级控制的意思是在自然设计变量和有限元网格节点之间加入设计单元,建立自然设计变量控制关键点坐标,关键点控制有限元网格节点,共两层控制关系。后一层控制关系借助有限元形函数描述设计单元,并引入相应的参数坐标,从而实现敏庋分析、结构形状变化的控制和网格的变动控制。本文使用二级控制理论有效地解决了二维连续体结构形状优化的一些困难,将形状优化问题处理成序列二次规划问题求解。使用MSC／PCL语言在MSC／Patran＆Nasntran平台上实现了优化模块的二次开发。本文设计思路的可行性和程序的有效性通过若干算例得到证实。     

The relation between the radii and the densities of magnetic skyrmions

Compared with the traditional magnetic bubble, a skyrmion has a smaller size, and better stability and therefore is considered as a very promising candidate for future memory devices. When skyrmions are manipulated, erased and created, the density of skyrmions can be varied, however the relationship between the radii and the densities of skyrmions needs more exploration. In this paper, we study this problem both theoretically and by using the lattice simulation. The average radius of skyrmions as a function of material parameters, the strength of the external magnetic field and the density of skyrmions is obtained and verified. With this explicit function, the skyrmion radius can be easily predicted, which is helpful for the future study of skyrmion memory devices.     

Zur Berechnung von Geometriefaktoren bei der Kernstrahlungsmessung

Der Geometriefaktor von radioaktiven umschlossenen oder offenen Strahlenquellen hängt bei der Messung mittels einer Kernstrahlungsmeßsonde von der räumlichen Anordnung der Strahlenquelle zu der strahlenexponierten wirksamen Fläche des Detektors und von der Geometrie der Strahlenquelle selbst ab. Fūr punktförmige Strahler in verschiedenen Positionen, Geraden, Kreisflächen und Zylinder wurde in möglichst einheitlicher Vorgehensweise die Berechnung der Geometriefaktoren bezüglich kreisförmiger ebener Detektionsflächen vorgenommen und rechentechnisch in Form von BESM 6-Algolprogrammen realisiert. Die Berechnungsergebnisse sind untereinander konsistent und wurden möglichst durch unabhängige Verfahren oder experimentelle Werte kontrolliert. Die Rechengenauigkeit kann gemäß den vorliegenden Anforderungen frei gewählt werden.