First principles investigations of Fe,Co, Ni in model honeycomb carbon networks

The behaviors of ferromagnetic transition metals of the first period: Fe, Co and Ni are examined within density functional theory calculations in two dimensional carbon extended networks using model structure LiC₆. Around geometry optimized structures, the energy-volume equations of states considering non magnetic and spin polarized configurations established ferromagnetic ground states with magnetizations –reduced with respect to the metals’– of 2 μ_B for FeC₆ and 1 μ_B for CoC₆ while no magnetic solution could be identified for NiC₆. In the D_6h point group of the P6/mmm space group l_m decomposition of the d states results with increasing energy into doublet state E_1g with d(x²-y²) and d(xy); singlet state A_1g d(z²) and doublet state E_2g d(xz) and d(yz) lying on E_F and responsible of the onset of magnetic moments. This was mirrored via molecular orbital approach with a construct of Fe embedded between two extended carbon networks thus validating the model structure proposed for TC₆ compounds. The 100% polarization in one spin channel allows proposing potential uses in spintronics 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     

液晶光阀光电导层光吸收系数的研究

用化学气相沉积法制备了液晶光阀中光电导层———非晶硅薄膜,从实验中得出最佳制备工艺的参数取值。给出了用包络线法测量非晶硅薄膜光吸收系数的原理,测量了样品的光吸收系数随波长的变化规律。得到样品在最佳工艺条件下的光吸收系数高于1×103cm-1。     

高发射率节能涂料及其应用

讨论了高发射率涂料节能的条件，了一种在1000℃仍保持高发射率的优质涂料，并解决了涂料与金属基体的粘结工艺，用此涂料制成增强辐射电阻带和复合炉衬，得到的新炉比旧炉节能20－40％。     

红外隐身技术的现状与发展

综述了红外隐身技术的现状，指明了存在的问题以及发展的方向。     

Deconvolution of very low primary energy SIMS depth profiles

In this paper, the deconvolution of SIMS profiles analysed at very low primary energy (0.5 keV/O₂⁺) is addressed. The depth resolution function (DRF) of the SIMS analysis in presence of roughness is established and a deconvolution procedure is implemented without or in presence of roughness on samples containing delta-doped layers of boron in silicon. It is shown that the deconvolution procedure can lead to a great improvement of the full width at half maximum (FWHM) of the measured peaks in the case where no roughness in detected in the crater bottom. In the case where it is present, the conditions required to use a deconvolution procedure are discussed, and the deconvolution is implemented using precise and restrictive assumptions.     

Optimal design of a convergent-barrel cold spray nozzle by numerical method

A convergent-barrel (CB) cold spray nozzle was designed through numerical simulation. It was found that the main factors influencing significantly particle velocity and temperature include the length and diameter of the barrel section, the nature of the accelerating gas and its pressure and temperature, and the particle size. Particles can achieve a relatively low velocity but a high temperature under the same gas pressure using a CB nozzle compared to a convergent-divergent (CD) nozzle. The experiment results with Cu powder using the designed CB nozzle confirmed that particle deposition can be realized under a lower gas pressure with a CB nozzle.     

Fabrication of patterned gold electrodes with spin-coated-and-fired Au(1 1 1) film by the soft lithography

We prepared high quality Au(1 1 1) film on Si wafer through the spin coating and thermal decomposition of a gold ink, spin-coated-and-fired (SCAF) Au film. The X-ray measurements, XRD and pole-figure analysis, showed that the SCAF Au film has a (1 1 1) out-of-plane orientation with a random in-plane orientation. In order to confirm the chemical activity of the SCAF Au film, we demonstrate the formation of patterned structures with the film by using soft lithography technique. The chemical activities of this physically stable SCAF Au film to the alkanethiols were at least equivalent those of physically deposited the Au films. The possibility of the mass production of micro patterned structure with the SCAF Au film was also demonstrated over the wide region on Si wafer by the microcontact lithography. These suggest that the Au film will help the easy fabrication of various nanosized devices on Si wafer and other substrates.     

Studies on calcium‐containing poly(urethane ether)s

The calcium salt of mono(hydroxyethoxyethyl)phthalate [Ca(HEEP)₂] was synthesized by the reaction of diethylene glycol, phthalic anhydride, and calcium acetate. Calcium‐containing poly(urethane ether)s (PUEs) were synthesized by the reaction of hexamethylene diisocyanate (HMDI) or tolylene 2,4‐diisocyanate (TDI) with a mixture of Ca(HEEP)₂ and poly(ethylene glycol) (PEG₃₀₀ or PEG₄₀₀) with di‐n‐butyltin dilaurate as a catalyst. A series of calcium‐containing PUEs of different compositions were synthesized with Ca(HEEP)₂/PEG₃₀₀ (or PEG₄₀₀)/diisocyanate (HMDI or TDI) molar ratios of 2:2:4, 3:1:4, and 1:3:4 so that the coating properties of the PUEs could be studied. Blank PUEs without calcium‐containing ionic diols were also prepared by the reaction of PEG₃₀₀ or PEG₄₀₀ with HMDI or TDI. The PUEs were well characterized by Fourier transform infrared, ¹H and ¹³C NMR, solid‐state cross‐polarity/magic‐angle‐spinning ¹³C NMR, viscosity, solubility, and X‐ray diffraction studies. The thermal properties of the polymers were also studied with thermogravimetric analysis and differential scanning calorimetry. The PUEs were applied as top coats on acrylic‐coated leather, and their physicomechanical properties were also studied. The coating properties of PUEs, such as the tensile strength, elongation at break, tear strength, water vapor permeability, flexing endurance, cold crack resistance, abrasion resistance, color fastness, and adhesive strength, were better than the standard values. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2865–2878, 2003     

The influence of temperature gradients on the kinetic boundary layer problem for a condensing droplet

We extend an earlier method for solving kinetic boundary layer problems to the case of particles moving in aspatially inhomogeneous background. The method is developed for a gas mixture containing a supersaturated vapor and a light carrier gas from which a small droplet condenses. The release of heat of condensation causes a temperature difference between droplet and gas in the quasistationary state; the kinetic equation describing the vapor is the stationary Klein-Kramers equation for Brownian particles diffusing in a temperature gradient. By means of an expansion in Burnett functions, this equation is transformed into a set of coupled algebrodifferential equations. By numerical integration we construct fundamental solutions of this equation that are subsequently combined linearly to fulfill appropriate mesoscopic boundary conditions for particles leaving the droplet surface. In view of the intrinsic numerical instability of the system of equations, a novel procedure is developed to remove the admixture of fast growing solutions to the solutions of interest. The procedure is tested for a few model problems and then applied to a slightly simplified condensation problem with parameters corresponding to the condensation of mercury in a background of neon. The effects of thermal gradients and thermodiffusion on the growth rate of the droplet are small (of the order of 1%), but well outside of the margin of error of the method.