Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals. We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation (GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature. We also obtain much closer agreement with experiment than earlier, more approximate calculations.     

Electronic properties of magnetically doped nanotubes

Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).     

MnCl_2/活性炭催化合成正丁基氨基甲酸甲酯

通过对不同活性组分的筛选,开发出活性炭负载氯化锰(M nC l2/AC)催化剂,用于碳酸二甲酯(DMC)和正丁胺甲氧羰基化反应合成正丁基氨基甲酸甲酯(MBC)。考察了M nC l2负载量对M nC l2/AC催化剂催化性能的影响及反应温度、反应时间、催化剂用量和原料配比对反应的影响。实验结果表明,适宜的M nC l2负载量为0.2mm ol/g;适宜的反应条件为:n(DMC)∶n(正丁胺)=3,催化剂的质量分数为5%,反应温度80℃,反应时间7h。在此条件下,正丁胺能完全转化,MBC的收率达到96.5%。探讨了不同载体负载的M nC l2催化剂的催化性能,发现中性载体有利于甲氧羰基化反应。     

一种高性能的新结构IGBT

提出了一种低功率损耗的新结构IGBT.该新结构的创新点在于其复合耐压层结构,该耐压层包括深扩散形成的n型缓冲层和硼注入形成的透明背发射区两部分.虽然在正常工作条件下,该新结构IGBT工作于穿通状态,但器件仍具有非穿通IGBT(NPT-IGBT)的优良特性.该新结构IGBT具有比NPT-IGBT更薄的芯片厚度,从而可以获得更好的通态压降和关断功耗之间的折衷.实验结果表明:与NPT-IGBT相比较,新结构IGBT的功率损耗降低了40%.     

Joint scheduling and power control supporting multicasting in wireless ad hoc networks

This paper addresses the problem of power control in a multihop wireless network supporting multicast traffic. We face the problem of forwarding packet traffic to multicast group members while meeting constraints on the signal-to-interference-plus-noise ratio (SINR) at the intended receivers. First, we present a distributed algorithm which, given the set of multicast senders and their corresponding receivers, provides an optimal solution when it exists, which minimizes the total transmit power. When no optimal solution can be found for the given set of multicast senders and receivers, we introduce a distributed, joint scheduling and power control algorithm which eliminates the weak connections and tries to maximize the number of successful multicast transmissions. The algorithm allows the other senders to solve the power control problem and minimize the total transmit power. We show that our distributed algorithm converges to the optimal solution when it exists, and performs close to centralized, heuristic algorithms that have been proposed to address the joint scheduling and power control problem.     

基于MATLAB的风能自校正自调整PID模糊控制器仿真研究

为了提高风力发电系统综合系统性能,在传统风力发电技术的基础上,对变速风力发电机组的自校正自调整PID模糊控制进行了详细的分析和研究,从而利用模糊控制和PID控制相结合的技术,取得了很好的效果。从MATLAB仿真结果看出系统精度及效率很高而稳态误差较小,鲁棒性较好。     

Measurement and numerical simulation of three‐dimensional fiber orientation states in injection‐molded short‐fiber‐reinforced plastics

To determine three‐dimensional fiber orientation states in injection‐molded short‐fiber composites, a confocal laser scanning microscope (CLSM) is used. Since the CLSM optically sections the specimen, more than two images of the cross sections on and below the surface of the composite can be obtained. Three‐dimensional fiber orientation states can be determined by using geometric parameters of fiber images obtained from two parallel cross sections. For experiments, carbon‐fiber‐reinforced polystyrene is examined by the CLSM and geometric parameters of fibers on each cross‐sectional plane are measured by an image analysis. In order to describe fiber orientation states compactly, orientation tensors are determined at different positions of the prepared specimen. Three‐dimensional orientation states are obtained without any difficulty by determining the out‐of‐plane angles utilizing fiber images on two parallel planes acquired by the CLSM. Orientation states are different at different positions and show the shell–core structure along the thickness of the specimen. Fiber orientation tensors are predicted by a numerical analysis and the numerically predicted orientation states show good agreement with measured ones. However, some differences are found at the end of cavity. They may result from the fountain flow effects, which are not considered in the numerical analysis. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 500–509, 2003     

Patterning issues for the fabrication of sub-micron memory capacitors' electrodes

This paper describes some of the key issues associated with the patterning of metal electrodes of sub-micron (especially at the critical dimension (CD) of 0.15 μm) dynamic random access memory devices. Due to reactive ion etching lag, the Pt etch rate decreased drastically below the CD of 0.20 μm and thus K-th storage node electrode with the CD of 0.15 μm could not be fabricated using the Pt electrodes. Accordingly, we have proposed novel techniques to surmountly-the above difficulties. The Ru electrode cannot for the stack-type structure is introduced and alternative multischemes based on the introduction of the concave-type selfstructure upto using semi-Pt or Ru as an electrode material are outlined respectively.     

Enhanced thermal stability of a sputtered titanium-nitride film as a diffusion barrier for capacitor-bottom electrodes

The effect of a thin RuO_x layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuO_x/TiN/doped poly-Si/Si stack structure over the post-deposition annealing temperature ranges of 450–600°C. The Ru/TiN/poly-Si/Si contact system exhibited linear behavior at forward bias with a small increase in the total resistance up to 600°C. The RuO_x/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no formation of a thin RuO_x layer at the RuO_x surface and porous-amorphous microstructure. In the former case, the addition of oxygen at the surface layer of the Ru film by pre-annealing leads to the formation of a thin RuO_x layer and chemically strong Ru-O bonds. This results from the retardation of oxygen diffusion caused by the discontinuity of diffusion paths. In particular, the RuO_x layer in a nonstoichiometric state is changed to the RuO₂-crystalline phase in a stoichiometric state after post-deposition annealing; this phase can act as an oxygen-capture layer. Therefore, it appears that the electrical properties of the Ru/TiN/poly-Si/Si contact system are better than those of the RuO_x/TiN/poly-Si/Si contact system.     

Boundary element analysis of thermal stress intensity factors for interface griffith and cusp cracks

The thermal stress intensity factors for interface cracks of Griffith and symmetric lip cusp types under vertical uniform heat flow in a finite body are calculated by the boundary element method. The boundary conditions on the crack surfaces are insulated or fixed to constant temperature. The relationship between the stress intensity factors and the displacements on the nodal point of a crack-tip element is derived. The numerical values of the thermal stress intensity factors for an interface Griffith crack in an infinite body are compared with the previous solutions. The thermal stress intensity factors for a symmetric lip cusp interface crack in a finite body are calculated with respect to various effective crack lengths, configuration parameters, material property ratios and the thermal boundary conditions on the crack surfaces. Under the same outer boundary conditions, there are no appreciable differences in the distribution of thermal stress intensity factors with respect to each material property. However, the effect of crack surface thermal boundary conditions on the thermal stress intensity factors is considerable.