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61.
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. 相似文献
62.
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). 相似文献
63.
In this work it is presented a study on the residence time distribution (RTD) of particles in a co-current pilot-plant spray dryer operated with a rotary atomization system. A nuclear technique is applied to investigate the RTD responses of spray dryers. The methodology is based on the injection of a radioisotope tracer in the feed stream followed by the monitoring of its concentration at the outlet stream. The experiments were performed during the drying of aqueous suspensions of gadolinium oxide. The RTD responses obtained experimentally presented good reproducibility, indicating that the technique applied is well suited to investigating fluid-dynamics of spray dryers. In addition to the experimental investigation, a mathematical model was used to describe the RTD experimental curves. 相似文献
64.
Ana M. García José M. Villora Diego A. Moreno Carlos Ranninger Pío Callejas M. Flora Barba 《Journal of the American Ceramic Society》2003,86(12):2200-2202
The objective of this research was to study the removal of cadmium and lead from an aqueous solution through a biological treatment. For this purpose a glass-ceramic material was manufactured from industrial and urban wastes. Biofilms of microorganisms found in wastewater were developed on its surface, and continuous tests were conducted in the presence and absence of the biofilm to analyze the glass-ceramic's ability to remove the heavy metals from an aqueous environment. The results suggest that this bioremediation process, developed on an industrial scale, could represent an alternative to the chemical processes currently used. 相似文献
65.
Dong-Soo Yoon Jae Sung Roh Sung-Man Lee Hong Koo Baik 《Journal of Electronic Materials》2003,32(8):890-898
The effect of a thin RuOx layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuOx/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 RuOx/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no
formation of a thin RuOx layer at the RuOx 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 RuOx 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 RuOx 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
RuOx/TiN/poly-Si/Si contact system. 相似文献
66.
根据石油开采业对石油机械产品的需求 ,利用机械理论基础知识 ,通过实践设计 ,提出了对几何尺寸长的金属管类进行调质处理后的均匀冷却方法 ,以满足其性能要求。 相似文献
67.
JJ Jiménez-Nácher N de Alonso B Vega A del Río JL Moya V Barrios A Hurtado 《Canadian Metallurgical Quarterly》1993,193(6):290-292
Pericardial effusion (PE) as a hypothyroidism associated sign, is something that can be found with relative frequency; nevertheless, cardiac tamponade (CT) as the first sign of this disease may be considered exceptional especially in young patients. We report a 31 years old woman with clinical symptoms and signs of CT that in the forward workshop was diagnosed of primary hypothyroidism as cause of the CT. We shortly describe the case and review the literature, emphasizing the importance of the knowledge of CT trigger factors in myxedematous PE, as well as its usual benign evolution with hormonal treatment, without recurrences of the CT after pericardiocentesis is performed. This justify a conservative approach, in spite of the slow resolution of the PE what can take as long as 1.5 years. 相似文献
68.
69.
Ting Gang Zhu Uttiya Chowdhury Michael M. Wong Jonathan C. Denyszyn Russell D. Dupuis 《Journal of Electronic Materials》2002,31(5):406-410
In this paper, we report the study of the electrical characteristics of GaN and AlGaN vertical p-i-n junctions and Schottky
rectifiers grown on both sapphire and SiC substrates by metal-organic chemical-vapor deposition. For GaN p-i-n rectifiers
grown on SiC with a relatively thin “i” region of 2 μm, a breakdown voltage over 400 V, and forward voltage as low as 4.5
V at 100 A/cm2 are exhibited for a 60-μm-diameter device. A GaN Schottky diode with a 2-μm-thick undoped layer exhibits a blocking voltage
in excess of ∼230 V at a reverse-leakage current density below 1 mA/cm2, and a forward-voltage drop of 3.5 V at a current density of 100 A/cm2. It has been found that with the same device structure and process approach, the leakage current of a device grown on a SiC
substrate is much lower than a device grown on a sapphire substrate. The use of Mg ion implantation for p-guard rings as planar-edge
terminations in mesageometry GaN Schottky rectifiers has also been studied. 相似文献
70.
NM Forones M Tanaka D Machado JB Falc?o M Giovanoni 《Canadian Metallurgical Quarterly》1997,34(1):3-6
Female SJL mice are more susceptible than male mice to experimental autoimmune encephalomyelitis (EAE) induced by myelin basic protein (MBP)-specific T lymphocytes. In the present study, we examined mechanisms involved in this gender-related difference in disease susceptibility. MBP-specific T lymphocytes derived from spleens of males during the effector phase of adoptive EAE produced significantly higher levels of IL-10, an anti-inflammatory cytokine in EAE. A protective effect of testosterone was then shown. Females implanted with dihydrotestosterone pellets demonstrated a significantly less severe course of EAE as compared with females implanted with placebo pellets. Finally, MBP-specific T lymphocytes derived from dihydrotestosterone-implanted females produced significantly higher levels of IL-10 than those from placebo. Together these data indicate that testosterone exerts a protective effect in EAE that is mediated at least in part by enhanced production of IL-10 by autoantigen-specific T lymphocytes. 相似文献