Structure,equation of state and elasticity of crystalline HNIW by molecular dynamics simulations

We have performed theoretical investigations on the structure, equation of state (EOS), elasticity, and mechanical properties of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurzitane (HNIW) energetic material by molecular dynamics (MD) simulations. The lattice parameters and equations of state of the four polymorphs (ε-, γ-, β-, and α-HNIW) under high pressure are calculated. Our calculated results agree with the previous experiments and theoretical calculations. Meanwhile, the elastic constants and some other mechanical properties of the most stable ε-HNIW under high pressure and temperature are predicted successfully.     

Power scaling of printed-circuit-board preionized TEA CO2 laser up to 3.6 kW

A high average power, high-repetition-rate TEA CO₂ laser employing printed-circuit-board preionizer is described. The power scaling of this preionization configuration has been demonstrated. The average output power reaches 3.6 kW at pulse repetition rate of 180 pps. Furthermore, the scaling-up ability of the rotating spark gap as high-voltage switch for high-average-power gas laser has been validated.     

Surface‐enhanced Raman scattering of silylated graphite oxide sheets sandwiched between colloidal silver nanoparticles and silver piece

Graphite oxide (GO) was successfully silylated by 3‐mercaptopropyltrimethoxysilane. The surface‐enhanced Raman scattering spectrum of the silylated GO sheets sandwiched between colloidal silver nanoparticles and silver piece is presented. The Raman signal shows a 10⁴ enhancement compared to that of bulk GO. The large Raman enhancement is most likely a result of electromagnetic (EM) coupling between the colloidal silver nanoparticles (localized surface plasmon) and the silver piece (surface plasmon polariton), creating large localized EM fields at their interface, where the silylated GO sheets reside in this sandwich architecture. Copyright © 2009 John Wiley & Sons, Ltd.     

密度泛函理论计算内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构

采用密度泛函理论中的广义梯度近似(generalized gradient approximation, 简称GGA),对内掺氢分子富勒烯H2@C60及其二聚体的几何结构和电子结构进行了计算研究.发现无论是在H2@C60单体,还是在其二聚体中,氢倾向以分子形式存在于碳笼中心处,且在室温下氢分子可以做自由旋转.电子结构分析表明,氢分子掺入到C60和C120中,仅对距离费米能级以下-8eV至-5eV能级处有一定的贡献,其他能级的分布和能隙几乎没有变化.     

Spin texture and magnetoroton excitations at nu=1/3

Neutral spin texture (ST) excitations at nu=1/3 are directly observed for the first time by resonant inelastic light scattering. They are determined to involve two simultaneous spin flips. At low magnetic fields, the ST energy is below that of the magnetoroton minimum. With increasing in-plane magnetic field these mode energies cross at a critical ratio of the Zeeman and Coulomb energies of eta(c)=0.020+/-0.001. Surprisingly, the intensity of the ST mode grows with temperature in the range in which the magnetoroton modes collapse. The temperature dependence is interpreted in terms of a competition between coexisting phases supporting different excitations. We consider the role of the ST excitations in activated transport at nu=1/3.     

Surface-enhanced resonant Raman spectroscopy (SERRS) of single-walled carbon nanotubes absorbed on the Ag-coated anodic aluminum oxide (AAO) surface

In this paper, we developed a new kind of substrate, the silver-coated anodic aluminum oxide (AAO), to investigate the characters of surface-enhanced resonant Raman scattering (SERRS) of the dilute single-walled carbon nanotubes. Homogeneous Ag-coated AAO substrate was obtained by decomposing the AgNO₃ on the surface of AAO. single-walled carbon nanotubes (SWNTs) were directly grown onto this substrate through floating catalyst chemical vapor deposition method (CVD). SERRS of SWNTs was carried out using several different wavelength lasers. The bands coming from metallic SWNTs were significantly enhanced. The two SERRS mechanisms, the “electromagnetic” and “chemical” mechanism, were mainly responsible for the experiment results.     

Influence of carbon templates and Yb concentration on red and green luminescence of uniform Y2O3:Yb/Er hollow microspheres

Uniform Yb³⁺ and Er³⁺-codoped Y₂O₃ hollow microspheres were synthesized via urea co-precipitation using carbon spheres as templates. Intense red emission (⁴F_9/2→⁴I_15/2) and weak green emission (²H_11/2, ⁴S_3/2→⁴I_15/2) of Er³⁺ were observed for the Yb³⁺ and Er³⁺-codoped Y₂O₃ hollow microspheres under 980 nm infrared excitation. The integrated intensity of visible emission and the ratio of red to green were found to be strongly dependent on the amount of carbon sphere templates and the concentration of Yb³⁺ ions. The amount of carbon sphere templates also plays an important role in adjusting the size of crystallite. Multi-phonon relaxation resulted from the absorbents (OH⁻ and CO₃²⁻) on the surface of the crystallite, and efficient occur of energy transfer processes and cross-relaxation between Er³⁺ and Yb³⁺ are responsible for the enhancement of intensity ratio of red to green emission. Interestingly, for higher concentration of Yb³⁺ ions, the green emission is assigned to a three-phonon process in Y₂O₃:Yb/Er hollow microspheres, which also could result in the increase of the red to green emission ratio. An explanation to account for these behaviors was presented.     

Aortic elastin fluorescence afterin vivo labeling with Congo red

Congo red (CR) is an azo dye which not only preferentially binds to elastin, an extracellular matrix protein found in the media of arterial vessel walls, but also fluoresces when it binds to this protein. Protein solubilization data following laser irradiation of elastin:CR suspensions determined that the amount of elastin solubilized by laser irradiation increased with the increase in CR. The saturation point of CR to elastin was attained when 400 g CR was added to 20 mg elastin suspension. When 20 ml of a 5% CR solution in 5% dextrose was administered intravenously, the CR was absorbed in levels sufficient to produce fluorescence of the main arteries in rabbits. Layers of tissue both in the media of the vessels and at the endothelial/intimal interface were clearly differentiated. Therefore, the elastin:CR complex appears to be an ideal system in which the elastin fluorescence could aid in distinguishing between normal and diseased tissue in certain pathological conditions, such as atherosclerosis and some types of breast tumors.     

Minimax estimators for location vectors in elliptical distributions with unknown scale parameter and its application to variance reduction in simulation

In this paper, we give an ever wider and new class of minimax estimators for the location vector of an elliptical distribution (a scale mixture of normal densities) with an unknown scale parameter. The its application to variance reduction for Monte Carlo simulation when control variates are used is considered. The results obtained thus extend (i) Berger's result concerning minimax estimation of location vectors for scale mixtures of normal densities with known scale parameter and (ii) Strawderman's result on the estimation of the normal mean with common unknown variance.Research partially supported by National Science Foundation, Grant #DMS 8901922.     

The Δ- Method for the Boltzmann Equation

A new numerical method is proposed to solve the Boltzmann equation. A frame is set up by using a discrete velocity approximation in the infinite velocity space, but by considering only those distribution function points which are not too small. The distribution function points may occur anywhere in the infinite discrete velocity space and are not constrained to a pre-specified region. A fourth-order finite difference is used for the convection terms. A Monte Carlo-like method is applied to the discrete velocity model of the collision integral. The effort of the method is proportional to the number of discrete points. Numerical examples are given for the full Boltzmann equation and results for some benchmark problems are compared with analytical or prior solutions.