Modular networks with hierarchical organization: The dynamical implications of complex structure

Several networks occurring in real life have modular structures that are arranged in a hierarchical fashion. In this paper, we have proposed a model for such networks, using a stochastic generation method. Using this model we show that, the scaling relation between the clustering and degree of the nodes is not a necessary property of hierarchical modular networks, as had previously been suggested on the basis of a deterministically constructed model. We also look at dynamics on such networks, in particular, the stability of equilibria of network dynamics and of synchronized activity in the network. For both of these, we find that, increasing modularity or the number of hierarchical levels tends to increase the probability of instability. As both hierarchy and modularity are seen in natural systems, which necessarily have to be robust against environmental fluctuations, we conclude that additional constraints are necessary for the emergence of hierarchical structure, similar to the occurrence of modularity through multi-constraint optimization as shown by us previously.      

珍珠和贝壳珍珠层的傅里叶变换红外光谱研究

本文通过高分辨率傅里叶变换红外光谱法和Ｘ射线衍射技术研究了三角帆蚌生长的珍珠和壳珍珠层粉末在１６０℃热处理前后谱图的变化。     

P_6团簇结构与稳定性的理论研究

采用量子化学HF,B3LYP和MP2方法,选用6-31G*,6-311G*,cc-pVDZ和cc-pVTZ基组,对P6团簇的8种异构体进行了优化,并对它们的几何构型、稳定性、电子结构和振动频率进行了讨论,比较P6团簇各种异构体的稳定性以及导电性.研究表明:根据异构体的相对能量,P6异构体最稳定的构型c具有C2v对称性,而最不稳定的构型h具有D3h对称性,不同方法和基组所得到的稳定性大小基本一致,并且得到结构g的导电性最好.     

中性和阳离子丁酮团簇的结构及稳定性的理论研究

使用密度泛函B3LYP方法,在6-31G*和6-311+G**基组水平上计算中性和阳离子丁酮团簇(CH_3COC_2H_5)_n和(CH_3COC_2H_5)_n~+(n 7)的稳定结构,并比较不同尺寸团簇之间的相对稳定性.中性和阳离子丁酮团簇的结构具有相似性:n=3—7时,组成团簇的丁酮的平均几何参数基本相同,单环结构最稳定;随着团簇尺寸的增加,双环结构的稳定性逐渐上升.通过平均结合能、一阶差分能、HOMO-LUMO能隙等计算分析可知:在所研究的各种尺寸团簇中,(CH_3COC_2H_5)_3是最稳定的中性团簇,与实验中的最强峰对应;(CH_3COC_2H_5)_4~+是最稳定的阳离子团簇.通过电离能计算得到丁酮分子的垂直电离能为9.535 eV与实验值相符,同时证明中性和阳离子丁酮二元团簇的结构变化较大.研究结果为实验中丁酮团簇碎片离子的形成机理提供一定的理论依据,并且为进一步研究酮类分子团簇的生长规律提供有价值的信息.     

Topology of foreign exchange markets using hierarchical structure methods

This paper uses two physics derived hierarchical techniques, a minimal spanning tree and an ultrametric hierarchical tree, to extract a topological influence map for major currencies from the ultrametric distance matrix for 1995-2001. We find that these two techniques generate a defined and robust scale free network with meaningful taxonomy. The topology is shown to be robust with respect to method, to time horizon and is stable during market crises. This topology, appropriately used, gives a useful guide to determining the underlying economic or regional causal relationships for individual currencies and to understanding the dynamics of exchange rate price determination as part of a complex network.     

氧化锌纳米线耦合硅金字塔微纳复合结构的制备及其自清洁特性研究

光伏器件粉尘堆积伴随的遮光效应极其严重,可导致太阳能电池的光电转换效率降低一半以上,这是任何其他提高光伏器件性能的高新技术所不能弥补的.本文根据Cassie-Baxter理论构建出一种基于光伏器件应用的超疏水自清洁微纳复合结构,即氧化锌纳米线耦合硅金字塔.通过调控硅金字塔的尺寸和均匀性,使其尺寸效应不被遮盖以符合存在微米构型的疏水要求,同时尽量不破坏硅光伏器件绒面的减反性能.本文采用水热法在金字塔表面生长氧化锌纳米线的方案,通过系统的实验设计,首次成功地制备了符合光伏器件应用的接触角高达154?,且接触角滞后小于10?的超疏水自清洁微纳复合结构.此外,我们不仅发现硅金字塔的刻蚀存在"高温促进硅金字塔刻蚀"的温度效应和硅金字塔顶部有"圆润-方正-圆润"的时间效应,还从物理上对高温促进刻蚀、晶体的各向异性刻蚀导致的硅金字塔和我们所制备的氧化锌纳米线耦合硅金字塔复合结构的陷光效应等进行了比较充分的分析.     

Topology of the correlation networks among major currencies using hierarchical structure methods

We studied the topology of correlation networks among 34 major currencies using the concept of a minimal spanning tree and hierarchical tree for the full years of 2007-2008 when major economic turbulence occurred. We used the USD (US Dollar) and the TL (Turkish Lira) as numeraires in which the USD was the major currency and the TL was the minor currency. We derived a hierarchical organization and constructed minimal spanning trees (MSTs) and hierarchical trees (HTs) for the full years of 2007, 2008 and for the 2007-2008 period. We performed a technique to associate a value of reliability to the links of MSTs and HTs by using bootstrap replicas of data. We also used the average linkage cluster analysis for obtaining the hierarchical trees in the case of the TL as the numeraire. These trees are useful tools for understanding and detecting the global structure, taxonomy and hierarchy in financial data. We illustrated how the minimal spanning trees and their related hierarchical trees developed over a period of time. From these trees we identified different clusters of currencies according to their proximity and economic ties. The clustered structure of the currencies and the key currency in each cluster were obtained and we found that the clusters matched nicely with the geographical regions of corresponding countries in the world such as Asia or Europe. As expected the key currencies were generally those showing major economic activity.     

Modular and hierarchical structure of social contact networks

Social contact networks exhibit overlapping qualities of communities, hierarchical structure and spatial-correlated nature. We propose a mixing pattern of modular and growing hierarchical structures to reconstruct social contact networks by using an individual’s geospatial distribution information in the real world. The hierarchical structure of social contact networks is defined based on the spatial distance between individuals, and edges among individuals are added in turn from the modular layer to the highest layer. It is a gradual process to construct the hierarchical structure: from the basic modular model up to the global network. The proposed model not only shows hierarchically increasing degree distribution and large clustering coefficients in communities, but also exhibits spatial clustering features of individual distributions. As an evaluation of the method, we reconstruct a hierarchical contact network based on the investigation data of a university. Transmission experiments of influenza H1N1 are carried out on the generated social contact networks, and results show that the constructed network is efficient to reproduce the dynamic process of an outbreak and evaluate interventions. The reproduced spread process exhibits that the spatial clustering of infection is accordant with the clustering of network topology. Moreover, the effect of individual topological character on the spread of influenza is analyzed, and the experiment results indicate that the spread is limited by individual daily contact patterns and local clustering topology rather than individual degree.     

Enhancing the penetration stability of plasma jet in liquid by improving the chamber structure

Two kinds of chamber structures were designed to improve the penetration stability of plasma jet in the working fluid. They are the cone-truncated chamber with an inclined wall structure and the stepped-wall chamber with an abrupt expanding structure. Based on the experiment, the penetration characteristics of plasma jet in liquid were investigated by the numerical calculation, especially the multiphase flow field structure and the jet penetration stability. In the cone-truncated chamber, the arc-like pressure wave does not evolve into the plane wave like the wave evolution rule in the traditional cylindrical chamber, and an alternating structure of arc-like wave and the plane wave is formed in the stepped-wall chamber. The stability control of stepped wall is more significant than that of inclined wall because the low-pressure vortex formed at the corner of step enhances the radial induction effect. Besides, the stepped-wall structure can restrain the moving randomness of the big vortex's core. The axial expansion speed of plasma jet in the ambient fluid is decreased exponentially and the speed estimation formula was obtained in this work.     

外加电场作用下碳纳米管结构稳定性及结构修饰研究

利用外加电场的方法，对多壁碳纳米管的结构稳定性进行了研究.结果表明当场强达到30 V/nm时，碳纳米管端部的结构失稳，端部碳原子间的π键被打开，外部原子开始进入到碳纳米管的结构中.利用电子显微镜作为纳米加工仪器，通过外加电场的方法在多壁碳纳米管的端部制备了非晶态碳纳米线，形成碳纳米管-纳米线复合结构.碳纳米管和纳米线结合处的σ键作为绝缘界面，形成了电子输运的势垒.     

Superamphiphobic,light-trapping FeSe2 particles with a micro-nano hierarchical structure obtained by an improved solvothermal method

Wettability and the light-trapping effect of FeSe2particles with a micro-nano hierarchical structure have been investigated. Particles are synthesized by an improved solvothermal method, wherein hexadecyl trimethyl ammonium bromide(CTAB) is employed as a surfactant. After modifying the particles with heptadecafluorodecyltrimethoxy-silane(HTMS), we find that the water contact angle(WCA) of the FeSe2 particles increases by 6.1 and the water sliding angle(WSA) decreases by 2.5 respectively, and the diffuse reflectivity decreases 29.4% compared with similar FeSe2 particles synthesized by the conventional method. The growth process of the particles is analyzed and a growth scenario is given. Upon altering the PH values of the water, we observe that the superhydrophobic property is maintained quite consistently across a wide PH range of 1–14. Moreover, the modified particles were also found to be superoleophobic. To the best of our knowledge, there is no systematic research on the wettability of FeSe2 particles, so our research provides a reference for other researchers.     

AB/CD嵌段共聚物共混体系多尺度结构的自洽场模拟

本文采用自洽场理论模拟了AB/CD嵌段共聚物共混体系的自组装. 改变组分B与D间的相互作用, 得到了不同空间尺度上的两种层状结构和只能在非对称组成情况才能得到的核壳结构. 结果表明, 这种多尺度结构的形成是因为BD间排斥作用的减弱或者吸引 作用的增强导致二者间相互融合程度的增加. 当BD间的相互融合程度与AB和CD间的相互融合程度相当时, 体系会发生宏观层状与微观层状结构间的转变. 此外, 本文还从能量角度揭示了体系发生这种结构转变的深层次原因. 关键词： 嵌段共聚物 共混 多尺度结构 自洽场     

砷化镓离子团簇的稳定性研究

采用全势能线性糕模轨道分子动力学方法，详细研究了砷化镓离子团簇Ga_nAs_n(n=4，5，6)的几何结构和稳定性.分别找到了这些离子团簇的最低能量结构，通过计算发现这些结构明显不同于中性团簇的基态结构.还发现离子团簇的其他稳定结构与对应的中性结构相比也有较大的结构畸变.在这些砷化镓离子团簇中，相对于砷原子而言，镓原子更容易处在帽原子的位置上. 关键词： 离子团簇 基态结构 稳定性     

Evolution of groups with a hierarchical structure

The universal occurrence of a hierarchical structure and its dynamic behavior in various types of group, living or abstract, are discussed. Here the word “group” refers not only to tangible aggregation but also to invisible aggregation of social psychological and of geopolitical meaning. The evolution of these groups is simulated using a model of agents distributed on the lattices of cellular grids. It is assumed that agents, fearing isolation, interact asymmetrically with each other with regard to exchange of “power”. As an indicator of hierarchy, the Gini coefficient is introduced. Example calculations are made for the aggregation, fusion and fission of animal groups, and for the appearance of a powerful empire and the rise and fall of supremacy. It is shown that such abstract objects evolve with time in accordance with the universal rules of groups common to birds and fish.     

Synthesis and photocatalytic property of ZnSe flowerlike hierarchical structure

Spherical flowerlike hierarchical structure of ZnSe(en)_0.5 was synthesized via a solvothermal route in the NH₃·H₂O-ethylenediamine (en)-N₂H₄·H₂O system at 180 °C for 24 h. The hierarchical structure is assembled from lots of regular nanosheets. The ZnSe(en)_0.5 was further converted into pure hexagonal ZnSe by annealing in a flowing nitrogen gas at 500 °C for 1 h with morphology preserved. The formation mechanism of ZnSe was discussed. The UV-visible absorption spectrum and PL spectrum of the ZnSe spherical flowerlike hierarchical structure were measured. In addition, photocatalytic activity of the ZnSe flowerlike structure for the degradation of methyl orange under the irradiation of the simulated sunlight was investigated. The excellent catalytic activity for the degradation of methyl orange was found and the possible mechanism of the photocatalytic activity is also proposed.     

First-principles study on the electronic structure, magnetic properties and phase stability of alloyed cementite with Cr or Mn

Using the first-principles technique, the electronic structures, magnetic properties and phase stability of alloyed cementite with Cr or Mn were investigated. The calculations show that the chemical and mechanical stability of alloyed cementite can be strengthened by the use of Cr/Mn-doped method. The Magnetic Moments (Ms) of Mn₁Fe₂C, Mn₂Fe₁C, Cr₁Fe₂C and Cr₂Fe₁C are 5.274, 0.941, 1.864 and 0.736 μ_B/f.u, respectively. The Ms of Cr in Fe₂CrC (−1.374 μ_B) and Cr₂FeC (−0.032 μ_B) are different due to replacing different sites Fe atoms. The magnetic behaviors of Mn are different from Cr in alloyed cementite. The Ms of Mn in Fe₂MnC and Mn₂FeC are 2.300 μ_B and −0.147 μ_B, respectively.     

Effect of polyphenolic structure and mass ratio on the emulsifying performance and stability of emulsions stabilized by polyphenol-corn amylose complexes

O/W emulsions stabilized by polyphenol/amylose (AM) complexes with several polyphenol/AM mass ratios and different polyphenols (gallic acid (GA), epigallocatechin gallate (EGCG) and tannic acid (TA)) were prepared by a high-intensity ultrasound emulsification technique. The effect of the pyrogallol group number of polyphenols and the mass ratio of polyphenols/AM on polyphenol/AM complexes and emulsions was studied. The soluble and/or insoluble complexes gradually formed upon adding polyphenols into the AM system. However, insoluble complexes were not formed in the GA/AM systems because GA has only one pyrogallol group. In addition, the hydrophobicity of AM could also be improved by forming polyphenol/AM complexes. The emulsion size decreased with increasing pyrogallol group number on the polyphenol molecules at a fixed ratio, and the size could also be controlled by the polyphenol/AM ratio. Moreover, all emulsions presented various degrees of creaming, which was restrained by decreasing emulsion size or the formation of a thick complex network. The complex network was enhanced by increasing the ratio or pyrogallol group number on the polyphenol molecules, which was because the increasing number of complexes was adsorbed onto the interface. Altogether, compared to GA/AM and EGCG/AM, the TA/AM complex emulsifier had the best hydrophobicity and emulsifying properties, and the TA/AM emulsion had the best emulsion stability.     

Improving the current efficiency of organic light-emitting device utilizing the well structure

We have demonstrated efficient organic electroluminescent (EL) devices with well Structure as the emitting layer. The well structure fabricated by alternating deposition of constituent tris-(8-hydroxyquinoline) aluminum (Alq₃) and 4,4-N,N-dicarbazole-biphenyl (CBP) layers improved the current efficiency. The enhanced efficiency can be attributed to the strong accumulation of electrons and holes in the thin Alq₃ layer, which leads to an increase of the exciton formation and exciton recombination probability. The single well device exhibits the highest current efficiency of 4.1 cd/A,which is more than twice than that of the conventional heterostructure device. It is an effective and simple way to improve the efficiency of EL devices by utilizing well structure as the emitting layer with proper well number.     

On the dynamics of simple hierarchical systems

Some applications of ultrametric and hierarchical structures are discussed in the context of condensed matter physics. It is shown that a simple arrangement of barriers leads to the Vogel-Fulcher law for the diffusion contant. Evidence is given that in this model the Vogel-Fulcher law is independent of the Kohlrausch-Williams-Watts law for relaxation.     

单层硅Si6H4Ph2的稳定性和电子结构密度泛函研究

采用密度泛函计算方法,研究了二维单层硅Si6H4Ph2的稳定性及其电子结构．通过对纯硅纳米片Si6、加氢钝化的硅纳米片Si6H6以及添加苯基钝化的硅纳米片Si6H4Ph2对比研究,揭示了Si6H4Ph2的稳定性机理．通过电子结构研究,发现Si6H4Ph2与Si6H6类似,显示间接带隙半导体性质．