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).     

一种计算机实时控制系统的分析及其DCS实现

简述了计算机实时控制及分布式控制系统(DCS)的一般特点．并以某型水下机器人的控制系统为例，详细介绍了一种小型实时DCS系统的具体实现。     

系统仿真技术在控制系统中的应用

系统仿真技术是一种以对实际系统建立正确的数学模型为基础，以计算机为工具的对实际系统进行模拟的技术。计算机技术的高速发展，使系统仿真技术在各个领域中都得到了广泛的应用。以化工及工业锅炉自动控制系统中水箱系统的液位控制问题为例，阐述了系统仿真技术在自动控制领域中的应用。     

无机阻燃剂高聚合度聚磷酸铵的研制

以五氧化二磷、磷酸铵盐、尿素为原料、氨气为保护气,制备了高聚合度聚磷酸铵无机阻燃剂。考察了五氧化二磷、磷酸铵盐、尿素的用量和反应温度对聚磷酸铵平均聚合度的影响。采用端基滴定法测定了聚磷酸铵的聚合度,并用X射线衍射(XRD)法表征了聚磷酸铵的晶体结构,同时测定了聚磷酸铵的粒度和溶解度。实验结果表明,制备聚磷酸铵的最佳反应条件为:n(磷酸氢二铵)∶n(五氧化二磷)∶n(尿素)=1∶1∶0.3,反应温度280~300℃,反应时间40m in,热处理温度250~280℃,热处理时间110m in。在此条件下制备的聚磷酸铵的平均聚合度大于600,平均粒径直径小于50μm,在水中的溶解度小于0.4g;XRD表征结果表明,所合成的物质为Ⅱ型聚磷酸铵。     

鄂尔多斯盆地东部奥陶系盐下储层预测

鄂尔多斯盆地奥陶系的膏盐岩沉积面积达5×104km2,天然气的勘探程度很低。为此,利用测井技术和地震反演技术对盐下储层进行了预测。首先,通过对盐下沉积特征的综合分析,对盐下储集层段的发育层位和主要储集岩类型进行了描述;然后,采用ELAN测井技术对盐下储层的物性进行了分析,认为盐下储层的物性在普遍较差的背景上存在相对发育的层段和区带;最后,利用全局优化多道地震反演技术,对岩下储层进行了预测,认为盐下存在的局部隆起是圈闭和储层发育的有利区带。     

闪光灯泵浦Nd3+:GGG激光特性研究

用闪光灯泵浦掺钕钆镓石榴石(Nd^3 ：GGG)激光晶体，研究了脉冲宽度0．5ms、1ms、1．5ms和2ms的放电泵浦下激光输出，实验获得了1．92J的最大激光能量．     

An optimization model for placement of wavelength converters to minimize blocking probability in WDM networks

The introduction of wavelength converters in wavelength division multiplexing (WDM) networks can reduce the blocking probabilities of calls. In this paper, we study the problem of placing a given number of converters in a general topology WDM network such that the overall system blocking probability is minimized. The original contributions of this work are the following: 1) formulation of success probability in a network as a polynomial function of the locations of converters; 2) proposal of an optimization model of the converter placement problem as the minimization of a polynomial function of 0-1 variables under a linear constraint, so that standard optimization tools can be employed to solve the problem; and 3) design of a search algorithm that can efficiently find the optimal solution to the converter placement problem. Experiments have been conducted to demonstrate the effectiveness of the proposed model and the efficiency of the algorithm.