Making equation of state models predictive: Part 2: An improved PCP-SAFT equation of state

We use the PCP-SAFT equation of state, which is of the Van der Waals type and has a sound physical basis, to predict mixture properties, such as vapor–liquid and liquid–liquid equilibria, as well as excess enthalpies. We use molecular properties, such as dipole moment, quadrupole moment, polarizability and dispersion interaction coefficients, that have been determined quantum mechanically in Part I of this publication and adjust the remaining three pure compound parameters to pure compound data. We finally present a new combination rule for the dispersion energy parameter ? that is based on the quantum mechanically determined data. The predictions based on quantum mechanically determined pure compound properties along with the new combination rule show an improved performance compared to the original PCP-SAFT combination rule.     

Voltage ‐ Current Study of an Atmospheric Dielectric Barrier Discharge

The discharge behaviour of an atmospheric dielectric barrier parallel plate discharge, used for surface treatment, is studied. Since an uniform plasma is preferable for surface treatment, filaments must be avoided in the discharge. The occurrence of filaments can be detected by measuring the current flowing through the discharge. Current and voltage measurements give an indication of the power consumption by the plasma. The power consumption of the plasma as function of the applied frequency is examined. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Structure and mechanical properties of Al/AlN multilayer with different AlN layer thickness

Nanometer scale Al/AlN multilayers have been prepared by dc magnetron sputtering technique with a columnar target. A set of Al/AlN multilayers with the Al layer thickness of 2.9 nm and the AlN layer thickness variation from 1.13 to 6.81 nm were determined. Low angle X-ray diffraction (LAXRD) was used to analyze the layered structure of multilayers. The phase structure of the coatings was investigated with grazing angle XRD (GAXRD). Mechanical properties of these multilayers were thoroughly studied using a nanoindentation and ball-on-disk micro-tribometer. It was found that the multilayer hardness and reduced modulus showed no strong dependence on the AlN layer thickness. Al2.9 nm/AlN1.13 nm multilayer had more excellent tribological properties than single layers and other proportion multilayers with a lowest friction coefficient of 0.15. And the tribological properties of all the multilayers are superior to the AlN single layer.     

<Emphasis Type="Italic">Comment on</Emphasis>¶Low temperature specific heat of blue bronze K <Emphasis Type="Bold">0.30</Emphasis>MoO <Emphasis Type="Bold">3</Emphasis>, by J. Odin,J.C. Lasjaunias,K. Biljaković, K. Hasselbach,and P. Monceau

Eur. Phys. J. B 24, 315 (2001) Here we comment on a recently published paper on the presence of a phason contribution in the low temperature heat capacity data of the charge-density-wave compounds K_0.3MoO₃ and (TaSe₄)₂I. We have shown that the anomaly in the C _P / T ³ data reported by Odin et al. is straightforwardly interpreted in terms of low energy phonon modes resulting from the peculiar topology of these compounds. Received 21 February 2002 Published online 19 July 2002     

相互作用对玻色气体热力学性质及稳定性的影响

根据由赝势法得到的非理想玻色气体的自由能和状态方程，研究了相互作用对凝聚温度的影响.从热力学角度揭示了存在引力作用时定压热容量、等温压缩系数、定压膨胀系数的反常热力学特性.研究了引力作用下玻色气体系统的不稳定性，给出了不稳定性的温度判据和粒子数密度判据. 关键词： 相互作用 玻色气体 热力学性质 不稳定性判据     

二维随机激光器的模式选择及阈值与饱和特性

基于将Maxwell方程与四能级原子系统速率方程相结合而建立起随机激光时域理论，并利用有限时域差分法，研究了二维随机介质中激光模式的输出特性与介质尺寸、外形及抽运速率等参数的关系.结果表明，与传统激光模式相似，随机激光模式的强度随抽运速率的变化不仅具有阈值特性，而且具有饱和特性.基于模式特性对介质及抽运参数的依赖关系，提出了二维随机激光器的选模方式，在很大程度上不同于传统激光器的选模方式. 关键词： 随机激光器 模式选择 无序介质中的光学特性     

Study of the structural and optical properties of GaN/AlN quantum dot superlattices

We study GaN/AlN Quantum Dot (QD) superlattices utilizing the STREL environment which allows the building of atomistic models, relaxation of the structures, the calculation of the electronic states and optical transitions and the visualization of the results. The forces are calculated using an appropriate Keating or Stillinger–Weber interatomic potential model and the electronic states and optical transitions using a tight-binding formulation which is economical and produces realistic electronic properties. The relaxed structure has strains mainly in the GaN region which are compressive and small tensile strains in the AlN region, mainly below the QD. In the calculation of the electronic states and of the optical transitions the strains are included realistically at the atomistic level. The study of the wavefunctions close to the fundamental gap show how these strains influence the form and spatial extent of the wavefunction. Very close to the fundamental gap the valence and some conduction states are confined in the QD and have considerable oscillator strength.     

含有五边形—七边形缺陷的单壁纳米碳管的输运性质研究

运用第一性原理的密度泛函理论结合非平衡格林函数研究了含有五边形—七边形拓扑缺陷的纳米碳管异质结的输运性质.结果发现：拓扑缺陷对碳管的输运性质有很大影响；另外，不同类型的碳管形成的异质结的输运性质也有明显的差异. 关键词： 纳米碳管 输运性质 异质结 透射系数     

Effects of Nb2O5 on thermal stability and optical properties of Er3+-doped tellurite glasses

Er³⁺-doped tellurite glasses with molar compositions of xNb₂O₅-(14.7-x)Na₂O--10ZnO--5K₂O--10GeO₂-- 60TeO₂--0.3Er₂O₃ (x=0, 3, 5, 7 and 9) have been investigated for developing 1.5~μm fibre and planar amplifiers. The effects of Nb₂O₅ on the thermal stability and optical properties of Er³⁺-doped tellurite glasses have been discussed. It is noted that the incorporation of Nb₂O₅ (x=5) increases the thermal stability of tellurite glasses significantly. Er³⁺-doped niobium tellurite glasses exhibit a large stimulated emission cross-section (7.2\times 10^-21- 10.7×10^-21~cm² and the gain bandwidth, FWHM×\sigma_e^{\rm peak} (274\times 10^-28 - 480×10^-28~cm³), which are significantly higher than that of silicate and phosphate glasses. In addition, the intensity of upconversion luminescence of the Er³⁺-doped niobium tellurite glasses decreases rapidly with increasing Nb₂O₅ content. As a result, Er³⁺-doped niobium tellurite glasses might be a potential candidate for developing laser or optical amplifier devices.     

Preparation and characterization of ZnO nanorods from NaOH solutions with assisted electrical field

ZnO naorods on ZnO-coated seed substrates were fabricated by solution chemical method from Zn(NO₃)₂/NaOH under assisted electrical field. The working mechanism of electrical field was analyzed and the factors affecting the rod growth such as potential, precursor concentration and growth temperature were elucidated. The structural and optical properties are characterized by SEM, TEM, XRD, HRTEM and UV-vis. The results indicated that the nanorods have wurtzite structure without electrical field and are primarily of zincite structure under electrical field; when the electrical field is 1.1-1.3 V, not only the elevation of ion diffusion and adsorption lower the crystallite/solution interfacial energy and then the crystal nucleation barrier by increasing charge intensity, but also the production of H⁺ through oxidation of OH⁻ increases properly the degree of solution supersaturation near the substrate, and thus lowers the activation energy. Both the two processes do favor to rod growth. With increasing precursor concentration in this system, the average diameter and length of ZnO nanorods increase, leading to decreasing of optical transmittance. The maximum rod growth rate at given concentration of Zn²⁺ occurs at a specific temperature.