Modular design of icosahedral metal clusters

The concept of crystalline module, that is, an unambiguously isolated, repeated quasi-molecular element, is introduced. This concept is more general than the concept of crystal lattice. The generalized modular approach allows extension of the methods and principles of crystallography to quasi-crystals, clusters, amorphous solids, and periodic biological structures. Principles of construction of aperiodic, nonequilibrium regular modular structures are formulated. Limitations on the size of icosahedral clusters are due to the presence of spherical shells with non-Euclidean tetrahedral tiling in their structure. A parametric relationship between the structures of icosahedral fullerenes and metal clusters of the Chini series was found.     

Non-isothermal thermokinetic of cement hardening

Thermokinetic analysis of cements hydration under nonisothermal conditions was performed. The influence of the application moment, intensity and duration of heat effect on the velocity and completeness of the character of hydration was estimated.     

On the generality of a cosmological speculation based on Heisenberg's principle

In a previous work [Hernández-Bermejo, B. (1996) Heisenberg's principle: A cosmological speculation, Speculations in Science and Technology, 19, 253], it was speculated that the lack of homogeneity of the large-scale structure of the universe may be due to quantum fluctuations of space in the early universe. This was argued for a Friedmann-type universe for which both the curvature and the cosmological constant were zero. Here it is shown that the same considerations are valid for arbitrary values of the curvature and .     

Grouped coordinate minimization using Newton's method for inexact minimization in one vector coordinate

Letf(x,y) be a function of the vector variablesx R ⁿ andy R ^m. The grouped (variable) coordinate minimization (GCM) method for minimizingf consists of alternating exact minimizations in either of the two vector variables, while holding the other fixed at the most recent value. This scheme is known to be locally,q-linearly convergent, and is most useful in certain types of statistical and pattern recognition problems where the necessary coordinate minimizers are available explicitly. In some important cases, the exact minimizer in one of the vector variables is not explicitly available, so that an iterative technique such as Newton's method must be employed. The main result proved here shows that a single iteration of Newton's method solves the coordinate minimization problem sufficiently well to preserve the overall rate of convergence of the GCM sequence.The authors are indebted to Professor R. A. Tapia for his help in improving this paper.     

用光学多道分析器测定RH的不确定度评定

本文使用光学多道分析器测定了氢原子光谱的计Hα、Hβ、Hγ、Hδ,谱线波长,利用最小二乘法处理测量数据：建立了测量数学模型,得到氢原子光谱里德伯常量RH,按国家计量技术规范JJF1059—1999标准对测量的不确定度进行了分析与评定。     

Domain Adaptation with Data Uncertainty Measure Based on Evidence Theory

Domain adaptation aims to learn a classifier for a target domain task by using related labeled data from the source domain. Because source domain data and target domain task may be mismatched, there is an uncertainty of source domain data with respect to the target domain task. Ignoring the uncertainty may lead to models with unreliable and suboptimal classification results for the target domain task. However, most previous works focus on reducing the gap in data distribution between the source and target domains. They do not consider the uncertainty of source domain data about the target domain task and cannot apply the uncertainty to learn an adaptive classifier. Aimed at this problem, we revisit the domain adaptation from source domain data uncertainty based on evidence theory and thereby devise an adaptive classifier with the uncertainty measure. Based on evidence theory, we first design an evidence net to estimate the uncertainty of source domain data about the target domain task. Second, we design a general loss function with the uncertainty measure for the adaptive classifier and extend the loss function to support vector machine. Finally, numerical experiments on simulation datasets and real-world applications are given to comprehensively demonstrate the effectiveness of the adaptive classifier with the uncertainty measure.     

Millimeter-Wave Spectroscopy of Methylfuran Isomers: Local vs. Global Treatments of the Internal Rotation

Methylfurans are methylated aromatic heterocyclic volatile organic compounds and primary or secondary pollutants in the atmosphere due to their capability to form secondary organic aerosols in presence of atmospheric oxidants. There is therefore a significant interest to monitor these molecules in the gas phase. High resolution spectroscopic studies of methylated furan compounds are generally limited to pure rotational spectroscopy in the vibrational ground state. This lack of results might be explained by the difficulties arisen from the internal rotation of the methyl group inducing non-trivial patterns in the rotational spectra. In this study, we discuss the benefits to assign the mm-wave rotational-torsional spectra of methylfuran with the global approach of the BELGI-Cs code compared to local approaches such as XIAM and ERHAM. The global approach reproduces the observed rotational lines of 2-methylfuran and 3-methylfuran in the mm-wave region at the experimental accuracy for the ground vt=0 and the first torsional vt=1 states with a unique set of molecular parameters. In addition, the V3 and V6 parameters describing the internal rotation potential barrier may be determined with a high degree of accuracy with the global approach. Finally, a discussion with other heterocyclic compounds enables the study of the influence of the electronic environment on the hindered rotation of the methyl group.     

Heat conductivity of three periodic Hard Disks via nonequilibrium molecular dynamics

We use a driving field, of the type first suggested by Evans, to generate a steady heat current in the simplest possible system, a two-dimensional periodic fluid of three hard disks. Hard-disk motion equations can be conveniently derived from repulsive constant-force or linear-force potentials by considering the infinitely repulsive limit of these potentials. We show that the isoenergetic and isokinetic forms of the nonequilibrium equations of motion generate steady-state heat conductivities differing by terms of order 1/N, whereN is the number of particles. The resulting conductivities appear to vary as the logarithm of the driving field strength. Even at low fields, the three-body periodic-system results lie well below Enskog's infinite-system prediction.     

两维局域互联神经网络的关联存储

本文将局域互联神经网络的新概念推广到两维情形,并对两维局域互联关联存储进行了理论分析和大量的计算机模拟.结果表明,两维局域互联神经网络的优点是,在满足存储容量限制的前提下,它与全局互联神经网络具有相同的关联存储能力,而其互联权重矩阵要比全局互联网络小得多.因而,有利于使用现有的空间光调制器实现两维大规模的人工神经网络.     

随机波动率模型下含违约风险的欧式衍生产品的套期保值

研究了含违约风险的欧式未定权益的最优套期保值问题. 假定含违约风险衍生产品的标的资产满足Heston随机波动率模型, 则利用局部风险最小化方法获得含违约风险衍生产品的最优套期保值策略. 此外, 还考虑了在一个特别情况下, 研究了含违约风险的欧式看涨期权的最优套期保值问题, 并通过特征函数和傅里叶反演公式给出了明确的局部风险最小化套期保值策略.