基于微极性弹性力学的碳纳米管中波的传播特性

基于微极性弹性理论推导出的碳纳米管的应力-应变关系，使用哈密顿原理建立了碳纳米管的动力学微分方程. 通过求动力学微分方程的波动解，获得碳纳米管中波的频率与波数的关系即弥散关系，另外还得到了波的群速度和特征波面. 对所得结果进行了讨论. 关键词： 微极性弹性力学 碳纳米管 群速度 特征波面     

Phospholipid lung surfactant and nanoparticle surface toxicity: Lessons from diesel soots and silicate dusts

Because of their small size, the specific surface areas of nanoparticulate materials (NP), described as particles having at least one dimension smaller than 100 nm, can be large compared with micrometer-sized respirable particles. This high specific surface area or nanostructural surface properties may affect NP toxicity in comparison with micrometer-sized respirable particles of the same overall composition. Respirable particles depositing on the deep lung surfaces of the respiratory bronchioles or alveoli will contact pulmonary surfactants in the surface hypophase. Diesel exhaust ultrafine particles and respirable silicate micrometer-sized insoluble particles can adsorb components of that surfactant onto the particle surfaces, conditioning the particles surfaces and affecting their in vitro expression of cytotoxicity or genotoxicity. Those effects can be particle surface composition-specific. Effects of particle surface conditioning by a primary component of phospholipid pulmonary surfactant, diacyl phosphatidyl choline, are reviewed for in vitro expression of genotoxicity by diesel exhaust particles and of cytotoxicity by respirable quartz and aluminosilicate kaolin clay particles. Those effects suggest methods and cautions for assaying and interpreting NP properties and biological activities.     

Fluctuation of semiconductor surface potential in Si-SiO<Subscript>2</Subscript> structure after irradiation and subsequent annealing

Fluctuations of the semiconductor surface potential in a Si-SiO₂ structure, caused by irradiation with different high-energy particles (50 MeV electrons and 40 keV arsenic ions) and subsequent annealing, have been studied by measuring the semiconductor interface state parameters. It is established that the fluctuation of the semiconductor surface potential decreases slightly, from 0.049 V to 0.044 V, after irradiation, while a considerable increase is observed after annealing. For the samples irradiated by arsenic ions, the increase in fluctuation is much larger (0.096 V) than that for the electron-irradiated samples (0.06 V).     

Propagation of laser beams and caustics in crystals

We investigated the propagation and transformation of laser beams and the formation of caustics in particular directions, including optical axes of crystals. We found a direct connection between the particular directions and the curvature of wave surfaces that is determined by the symmetry and optical properties of the crystals. We demonstrated that caustics in particular directions are characterized by a degree of the curvature degeneracy and are described by particular solutions of the corresponding nonlinear equations. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 4, pp. 491–498, July–August, 2007.     

CO在尖晶石结构CuCr2O4(111)表面上的吸附理论研究

采用密度泛函理论，研究了CO在具有尖晶石结构的过渡金属氧化物CuCr2O4(100)表面上的吸附. 几何构型优化结果表明，CO倾向于以碳端吸附在Cu原子上，吸附能达到133.2 kJ/mol. 吸附在五配位的Cr原子上也比较稳定，吸附能为57.5 kJ/mol. 吸附后，C-O键伸长，振动频率出现红移，表明分子被活化. 同时分析了吸附前后态密度的变化，探讨了CO与底物的成键机理.     

Preparation of hybrid film with superhydrophobic surfaces based on irregularly structure by emulsion polymerization

A superhydrophobic surface originated from quincunx-shape composite particles was obtained by utilizing the encapsulation and graft of silica particles to control the surface chemistry and morphology of the hybrid film. The composite particles make the surface of film form a composite interface with irregular binary structure to trap air between the substrate surface and the liquid droplets which plays an essential role in obtaining high water contact angle and low water contact angle hysteresis. The water contact angle on the hybrid film is determined to be 154 ± 2° and the contact angle hysteresis is less than 5°. This is expected to be a simple and practical method for preparing self-cleaning hydrophobic surfaces on large area.     

XPS investigations of ruthenium deposited onto representative inner surfaces of nuclear reactor containment buildings

In the case of a hypothetical severe accident in a nuclear power plant, interactions of gaseous RuO₄ with reactor containment building surfaces (stainless steel and epoxy paint) could possibly lead to a black Ru-containing deposit on these surfaces. Some scenarios include the possibility of formation of highly radiotoxic RuO₄(g) by the interactions of these deposits with the oxidizing medium induced by air radiolysis, in the reactor containment building, and consequently dispersion of this species. Therefore, the accurate determination of the chemical nature of ruthenium in the deposits is of the high importance for safety studies. An experiment was designed to model the interactions of RuO₄(g) with samples of stainless steel and of steel covered with epoxy paint. Then, these deposits have been carefully characterised by scanning electron microscopy (SEM/EDS), electron probe microanalysis (EPMA) and X-ray photoelectron spectroscopy (XPS). The analysis by XPS of Ru deposits formed by interaction of RuO₄(g), revealed that the ruthenium is likely to be in the IV oxidation state, as the shapes of the Ru 3d core levels are very similar with those observed on the RuO₂·xH₂O reference powder sample. The analysis of O 1s peaks indicates a large component attributed to the hydroxyl functional groups. From these results, it was concluded that Ru was present on the surface of the deposits as an oxyhydroxide of Ru(IV). It has also to be pointed out that the presence of “pure” RuO₂, or of a thin layer of RuO₃ or Ru₂O₅, coming from the decomposition of RuO₄ on the surface of samples of stainless steel and epoxy paint, could be ruled out. These findings will be used for further investigations of the possible revolatilisation phenomena induced by ozone.     

The variational iteration method for solitary patterns solutions of gBBM equation

We consider solitary patterns solutions of generalized Benjamin–Bona–Mahony equations (shortly gBBM). The variational iteration method (shortly VIM) is applied for the numerical solution subject to appropriate initial condition. The numerical solutions of our model equation are calculated in the form of convergence power series with easily computable components. The VIM performs extremely well in terms of accuracy, efficiently, simplicity, stability and reliability.     

Adsorbate motions induced by vibrational mode coupling

Adsorbate motions are discussed with a primary attention focused on the coupling between a vibrational mode excited by ultrafast laser heated hot-electrons or by inelastic tunneling electrons with scanning tunneling microscope and the reaction coordinate (RC) mode. Recent experimental results have demonstrated an efficient reaction pathways involving an indirect excitation of a frustrated translational mode, rather than its direct excitation for adsorbate hopping on surfaces. Elementary processes are briefly described for hopping of CO molecules on a laser heated stepped Pt surface, where excitation of the frustrated rotation mode has been found to plays an indispensable. Calculation of the inelastic tunneling current (ITC) for excitation of the C-O stretch mode of a CO molecule is combined with a theory of anharmonic mode coupling to activate the frustrated translation mode above the barrier. The hopping rate as a function of the bias voltage agrees with the experimental result. An unified theory of single-, and two-electron processes for ITC-induced motions induced by an indirect excitation of the RC-mode via mode coupling is also applied to reproduce a crossover from hopping to desorption of a single NH₃ molecule on Cu(1 0 0) with an increase in the tunneling current.     

Adsorption kinetics of alkanes on TiO2 nanotubesarray - structure-activity relationship

Presented are thermal desorption spectroscopy (TDS) measurements of iso-/n-butane adsorption on a variety of TiO₂ nanotubes (TiNTs) samples which are characterized by different crystal structures. The results are compared with a prior study on anatase(0 0 1) thin films grown on SrTiO₃(0 0 1). A distinct kinetic structure-activity relationship was present, i.e., the binding energies of the alkanes depend on the polymorph (anatase vs. mixed anatase/rutile) of TiO₂. A direct-fitting procedure of the TDS data has been applied to extract the kinetics parameters. The binding energies in the limit of zero coverage decrease as anatase thin film > amorphous-TiNTs ∼ polycrystalline anatase TiNTs > polycrystalline mixed anatase/rutile TiNTs.