高压拉曼光谱方法研究卟啉J-聚集体

本文利用金刚石对顶砧(DAC)和拉曼光谱技术,测量了四苯基卟啉J聚集体在13GPa内的高压拉曼光谱,根据各个拉曼谱带的频移-压强变化曲线得出在13GPa内Tpp J聚集体无相变发生,并且高波数(1010～1600cm-1)和低波数(230～330cm-1)区的斜率要远大于中等波数(380～1000cm-1)区,这表明对应于高波数和低波数区的化学键比中等波数区更具有易压缩性,并对体积的减小起着重要的作用。根据苯环ψ3C-C面内伸缩振动模式强度逐渐增强的现象提出了分子弹簧垫圈模型。此外,这种分子弹簧垫圈的劲度系数可以通过中位取代基团调控。     

溴氯甲烷分子最高占有轨道的电子动量谱学研究

本文首次报道了溴氯甲烷(CH2BrCl)分子在电子入射能为1200 eV 束缚能时价壳层的电离能谱和最高占有轨道的电子动量分布.实验结果与Hartree-Fock(HF)方法和密度泛函理论(DFT)计算进行了比较,表明大基组的密度泛函理论与实验符合较好.     

Monte Carlo study of interfacial silicon suboxide layers and oxidation kinetics

A simple simulation scheme that simultaneously describes the growth kinetics of SiO₂ films at the nanometer scale and the SiO_x/Si interface dynamics (its extent, and spatial/temporal evolution) is presented. The simulation successfully applies to experimental data in the region above and below 10 nm, reproduces the Deal and Grove linear-parabolic law and the oxide growth rate enhancement in the very thin film regime (the so-called anomalous region). According to the simulation, the oxidation is governed mainly by two processes: (a) the formation of a transition suboxide layer and (b) its subsequent drift towards the silicon bulk. We found that it is the superposition of these two processes that produces the crossover from the anomalous oxidation region behavior to the linear-parabolic law.     

IR finite one-loop box scalar integral with massless internal lines

The IR finite one-loop box scalar integral with massless internal lines has been recalculated. The result is very compact, simple and valid for arbitrary values of the relevant kinematic variables. It is given in terms of only two dilogarithms and a few logarithms, all of very simple arguments. Received: 31 January 2002 / Published online: 26 April 2002     

H_2—O_2爆轰时Ar浓度对产生胞格结构的影响

作者在方形爆轰管中进行了H_2—O_2—Ar系统的实验研究。在由Ar稀释的H_2—O_2混合物的爆轰实验中得到了规则的胞格结构图案。也得到了胞格形成的临界曲线,并与爆炸极限曲线进行了对照,两者的趋势是一致的。另外,测量了从点火处到胞格形成处之间的距离及胞格区的长度。最后分析了氩Ar浓度对H_2—O_2爆轰的抑制作用。     

Dynamic responses of orthotropic plates under moving masses

Summary The problem considered is that of heavy masses moving on lightweight rectangular plates of orthotropic materials, slated for use in space structures. The dynamic equation of motion for orthotropic plates which contains singularities in both space and time variables is first presented. The response is expressed as a summation of double series of eigenfunctions. The equation of motion is transformed into an integro-differential equation for modal amplitudes using the Green's function. The Green's function is chosen to satisfy the initial conditions, the boundary conditions, and the transient conditions due to the moving masses. The solution series exhibits a good convergence. The effect of orthotropicity on natural frequencies and dynamic responses is demonstrated.

---

Dynamische Antwort orthotroper Platten auf bewegte Massenpunkte

übersicht Behandelt wird die Bewegung von Massenpunkten auf rechteckigen Leichtbau-Platten aus orthotropem Werkstoff, die für Raumfahrtkonstruktionen vorgesehen sind. ZunÄchst wird die Bewegungsgleichung orthotroper Platten mit singulÄren Ausdrücken in den Raum- und Zeitkoordinaten angegeben. Die Antwort wird als Doppelsumme einer zweifachen Reihenentwicklung dargestellt und die Bewegungsgleichung mit Hilfe der Greenschen Funktion in eine Integro-Differentialgleichung für die Modalamplituden transformiert. Die Greensche Funktion ist so gewÄhlt, da\ sie die Anfangs- und Randbedingungen sowie die übergangsbedingungen unter der bewegten Masse erfüllt. Die Lösung durch Reihenentwicklung zeigt gute Konvergenz. Der Einflu\ der Orthotropie auf die Eigenfrequenzen und die dynamischen Antworten wird veranschaulicht.

     

Epidemic centrality — is there an underestimated epidemic impact of network peripheral nodes?

In the study of disease spreading on empirical complex networks in SIR model, initially infected nodes can be ranked according to some measure of their epidemic impact. The highest ranked nodes, also referred to as “superspreaders”, are associated to dominant epidemic risks and therefore deserve special attention. In simulations on studied empirical complex networks, it is shown that the ranking depends on the dynamical regime of the disease spreading. A possible mechanism leading to this dependence is illustrated in an analytically tractable example. In systems where the allocation of resources to counter disease spreading to individual nodes is based on their ranking, the dynamical regime of disease spreading is frequently not known before the outbreak of the disease. Therefore, we introduce a quantity called epidemic centrality as an average over all relevant regimes of disease spreading as a basis of the ranking. A recently introduced concept of phase diagram of epidemic spreading is used as a framework in which several types of averaging are studied. The epidemic centrality is compared to structural properties of nodes such as node degree, k-cores and betweenness. There is a growing trend of epidemic centrality with degree and k-cores values, but the variation of epidemic centrality is much smaller than the variation of degree or k-cores value. It is found that the epidemic centrality of the structurally peripheral nodes is of the same order of magnitude as the epidemic centrality of the structurally central nodes. The implications of these findings for the distributions of resources to counter disease spreading are discussed.     

Preparation and Characterization of Electroactive Anion‐Exchange Acrylic Polymer–Gold Composites

The characteristics and performance of an ionic polymer–metal composite (IPMC), prepared with an anion‐exchange acrylic copolymer, was examined. The acrylic copolymer was synthesized by the radical copolymerization of fluoroalkyl methacrylate and 2‐(dimethyl amino)ethyl methacrylate(AMA). Effects of the AMA repeating unit's content in the copolymer and effects of the anion type present on the actuation of the IPMC were observed. The optimal content of 19.4 wt% AMA in the IPMC copolymer yielded the best actuation. The actuation also improved according to the type of anion present in the composite, in the following order: Br^???4 ^?.     

A polyene chain of canthaxanthin investigated by temperature-dependent resonance Raman spectra and density functional theory （DFT） calculations

We report on a temperature-dependent resonance Raman spectral characterization of the polyene chain of canthax- anthin. It is observed that all vibrational intensities of the polyene chain are inversely proportional to temperature, which is analyzed by the resonance Raman effect and the coherent weakly damped electron/lattice vibrations. The increase in intensity of the CC overtone/combination relative to the fundamental with temperature decreasing is detected and discussed in terms of electron/phonon coupling and the activation energy Uop. Moreover, the polyene chain studies using the density functional theory B3LYP/6-31 G＊ level reveal a prominent peak at 1525 cm-1 consisting of two closely spaced modes that are both dominated by C=C stretching coordinates of the polyene chain.