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.     

A new Pd-oxide-Al/sub 0.3/Ga/sub 0.7/As MOS hydrogen sensor

A new and interesting Pd-oxide-Al/sub 0.3/Ga/sub 0.7/As MOS hydrogen sensor has been fabricated and studied. The steady-state and transient responses with different hydrogen concentrations has been measured at various temperatures. Based on the large Schottky barrier height and presence of oxide layer, the studied device exhibits a high hydrogen detection sensitivity and wide temperature operating regime. The studied device exhibits the low-leakage current and obvious current changes when exposed to hydrogen-contained gas. Even at room temperature, a very high hydrogen detection sensitivity of 155.9 is obtained when a 9090 ppm H/sub 2//air gas is introduced. Furthermore, when exposed to hydrogen-contained gas at 95/spl deg/C, both the forward and reverse currents are substantially increased with increased hydrogen concentration. In other words, the studied device can be used as a hydrogen sensor under the applied bidirectional bias. Under the applied voltage of 0.35 V and 9090 ppm H/sub 2//air hydrogen ambient, a fast adsorption response time about 10 s is found. The transient and steady-state characteristics of hydrogen adsorption are also investigated.     

气测录井定量快速色谱分析技术

为了推动气测录井定量快速色谱分析技术在钻井现场广泛应用,该文从定量快速色谱与常规色谱的比较入手,在阐述定量快速色谱仪工作原理的基础上,探讨了定量快速色谱技术三个方面的优势——薄油气层的发现与评价、快速钻进条件下发现油气层以及加入钻井液添加剂条件下识别真假油气显示。相信随着定量快速色谱分析技术的应用,油气层发现与评价的准确率会得到很大提高。     

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).     

24万t/a尿素装置技术改造总结

针对新化化肥有限公司尿素装置存在的问题进行了技术改造,从尿素合成塔、中压分解吸收、低压分解吸收、闪蒸等方面分析了产生问题的原因,提出了改进措施和实施方案。对改造前后工艺指标、产品质量和经济效益进行了对比和分析。改造结果表明.生产能力提高25％,5个月可收回全部投资。     

Computational analysis of thin coating layer failure using a cohesive model and gradient plasticity

Thermal barrier coatings (TBC) are widely used to prevent transient high temperature attack and allow components high durability. Due to strong inhomogeneous material properties the TBC failure often initiates near the interface between the brittle oxide layer and the ductile substrate. A reliable prediction of the TBC failure requires detailed information about the crack tip field and the consequent fracture criteria. In the present paper both cohesive model and gradient plasticity are used to simulate the failure process and to study interdependence of the interface stress distribution with the specific fracture energies. Computations confirm that combination of the two models is able to simulate different failure mechanisms in the TBC system. The computational model has the potential to give a realistic prediction of the crack propagation process.     

基于水印的图像认证和完整性保护技术

数字水印技术的发展为解决图像认证和完整性保护问题提供了新的思路。对用于篡改检测和图像认证的水印技术做了综述。数字水印技术根据其识别差错的能力分为四种类型:易损水印、半易损水印、混合水印和自嵌入水印。最后还对水印认证技术的安全性问题进行了讨论。     

Low-temperature poly-SiGe alloy growth of high gain/speed pin infrared photosensor with gold-induced lateral crystallization (Au-ILC)

The hydrogenated poly-silicon germanium (poly-SiGe:H) epitaxial film has been investigated using gold-induced lateral crystallization (Au-ILC) technology on a-SiGe:H layers at 10-h 350/spl deg/C annealing temperature and 60-sccm hydrogen (H/sub 2/) content. Using this optimal condition, the growth rate of the induced Au was as large as 15.9 /spl mu/m/h. With a low annealing temperature (/spl les/400/spl deg/C) and large growth rate, this novel technology will be noticeably useful for poly-SiGe:H pin IR-sensing fabrication on a conventional precoated indium tin oxide (ITO)-glass substrate. Under a 1-/spl mu/W IR-LED incident light (with peak wave length at 710 nm) and at a 5-V biased voltage, the poly-SiGe:H pin IR sensor developed by the Au-ILC technology, i.e., an Al (anode)/n poly-SiGe:H/i poly-SiGe:H/p poly-SiGe:H/ITO (cathode)/glass-substrate structure allowed for maximum optical gain and response speed. The optical gains and the response speeds were almost 600 and 130%, respectively, better than that of a traditional pin type. Meanwhile, the FWHM of a poly-SiGe:H pin sensor with Au-ILC technology was reduced from 280 to 150 nm. This reveals excellent IR-sensing selectivity. These IR-sensing trials demonstrated again that the proposed Au-ILC technology has very useful application in the field of low cost integrated circuits on optoelectronic applications.     

化学复合镀层激光处理研究

研究了激光处理对Ni-P -SiC化学复合镀层的影响。借助于扫描电镜、能谱仪、X射线衍射、显微硬度计等设备对激光处理后复合镀层的表面形貌、组织结构及性能进行了综合分析。结果表明 ,对复合镀层进行激光处理可以获得与炉内加热同样的镀层硬度 ,且当激光功率 4 0 0W ,扫描速度 1.5m /min时 ,镀层硬度高于炉内加热的硬度     

Characteristics of low-leakage deep-trench diode for ESD protection design in 0.18-/spl mu/m SiGe BiCMOS process

This paper proposes a novel low-leakage BiCMOS deep-trench (DT) diode in a 0.18-/spl mu/m silicon germanium (SiGe) BiCMOS process. By means of the DT and an n/sup +/ buried layer in the SiGe BiCMOS process, a parasitic vertical p-n-p bipolar transistor with an open-base configuration is formed in the BiCMOS DT diode. Based on the two-dimensional (2-D) simulation and measured results, the BiCMOS DT diode indeed has the lowest substrate leakage current as compared to the conventional p/sup +//n-well diode even at high temperature conditions, which mainly results from the existence of the parasitic open-base bipolar transistor. Considering the applications of the diode string in electrostatic discharge (ESD) protection circuit designs, the BiCMOS DT diode string also provides a good ESD performance. Owing to the characteristics of the low leakage current and high ESD robustness, it is very convenient for circuit designers to use the BiCMOS DT diode string in their IC designs.