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).     

High dynamic range InP HBT delta-sigma analog-to-digital converters

To date, the development of multifunction multicarrier digital receivers for cellular base station and military communications applications has been limited by the demanding dynamic range requirements for the analog-to-digital converter (ADC). The use of oversampling delta-sigma modulators provides a promising approach to overcoming the dynamic range barriers Nyquist-rate converters face in the same applications. This paper discusses issues involved in the design of high-speed high dynamic range wide-band delta-sigma ADCs for such communications applications. Test results of prototype designs are also presented. The delta-sigma modulators described in this paper operate at sampling frequencies ranging from 1 to 2.5 GHz with center frequencies ranging from dc to 100 MHz, providing between 74 and 84.2 dB signal-to-noise ratio (12 and 13.7 bits) for bandwidths of 25 and 12.5 MHz, respectively. The loop filters are continuous-time low-pass and bandpass implementations of order 6 and 10, and were fabricated in an InP heterojunction bipolar (HBT) technology. A typical tenth-order design consumes 6 W of power and occupies a die area of 23.5 mm/sup 2/.     

过钻头测井技术——一种新的测井数据采集方式毕

过钻头测井技术是一种新的测井数据采集方式，被评为2005年国际石油科技十大进展之一。介绍了过钻头测井技术的工作原理和实例，分析了过钻头测井技术的优点。通过电缆测井和随钻测井对比的分析，认为过钻头测井不仅会成为水平井、大斜度井及困难井眼条件首选测量方式，也会逐渐在直井中推广普及。     

移动本地传输网后评估的探讨

本文主要描述了本地传输网后评估的流程,传输后评估的编制重点,并针对传输网的网络容量和网络安全性给予分析介绍.     

隐蔽通信工程的光缆路由选择及敷设探讨

针对隐蔽通信工程的建设特点,本文以光缆路由的选择与敷设为切合点,就其建设原则和思路展开探讨,同时结合本地的工程建设实例进行了具体说明.     

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%.     

毗邻铁路大动脉排架式厂房拆除爆破

文章介绍了运煤车间爆破拆除工程的设计、施工经过及防后座的措施，对于复杂爆破环境的建筑物拆除有一定参考意义。     

低温脂肪酶产生菌的筛选、鉴定及其部分酶学性质

从南极乔治王岛冻土来源的76株低温细菌中筛选到13株低温脂肪酶产生菌，对其中的BTsl0022菌株进行鉴定。通过生理生化特征、16s rDNA基因序列的同源性和系统发育分析发现，菌株RTsl0022属于假单胞菌属(Pseudomonas)，但与已定名的假单胞菌有一定的差异，与未定名的Pseudomonas sp．PsB的亲缘关系最接近，故将其暂定名为Pseudomonas sp．BTsl0022。对该菌脂肪酶的酶学性质初步研究表明，酶的最适作用温度为24℃，对热敏感，60℃处理30min仅残留25％酶活性，酶的适宜作用pH范围在7．0～9．0，最适pH为8．0。     

橡胶促进剂DM的合成工艺

M氧化生成DM是自由基反应机理，结合微反应器机理，采用分子氧化的反应方式，选用绿色溶剂异丙醇、环境友好型氧化剂H202，一步法制取高品质DM。对反应时间、反应温度、氧化剂用量等因素进行考察，确定最佳工艺条件为：反应时间90min，反应温度55℃，氧化剂不过量，碱过量5％，M—Na溶液M含量30％，加料时N60 min，溶剂用量为M—Na溶液质量的1．5倍，所得产品质量合格，熔点可达180℃。