An Electronic Approach to Materials Design

A molecular orbital approach to materials design has recently made great progress. This approach is based on the electronic structure calculations by the DV-Xα cluster method. In this paper recent progress in this approachis reviewed. In particular     

High temperature transport kinetics in heteroepitaxial LaFeO3 thin films

Heteroepitaxial LaFeO₃(1 1 0) thin films with a thickness of 150 nm were grown on LaAlO₃(0 0 1) by reactive sputtering in an inverted cylindrical magnetron geometry. Equilibrium conductivity was measured as a function of partial pressure of oxygen at T=1000 °C, and logσ plotted vs. logP(O₂) showed a minimum in conductivity for P(O₂)=10⁻¹¹ atm and a linear response between 10⁻¹⁰ and 1 atm. This linear response makes thin films of LaFeO₃ a promising material for oxygen sensor applications. We have also measured the time response of the film conductivity upon an abrupt change in the partial pressure of ambient oxygen from 10⁻² to 10⁻³ atm, which was determined at 60 s for T=700 °C and <3.5 s at T=1000 °C.     

高放废液中^147Pm的测定

建立了高放废液中~(147)Pm的测定方法。用HDEHP萃取稀土,再用HDEHP萃淋树脂柱分离AM和稀土。然后用高效液相色谱法将~(147)Pm从Eu、Ce等其它稀土中分离出来,用液体闪烁法测量~(147)Pm的放射性活度。     

微波等离子体化学气相沉积的 a-Si∶H 性能研究

本文着重对微波等离子体化学气相沉积法高速沉积的 a-Si∶H 膜的物理性能进行评价研究.测量了沉积膜的光电性能、暗电导激活能、光禁带宽度、光吸收特性、沉积膜中悬键态密度以及氢含量等,并讨论沉积条件对膜性能的影响.结果表明,在沉积速率高达30～90(?)/s 情况下,膜的光电导(光照强度10~5Lux)与暗电导比值可达10~3～10~5,暗电导率从10~(-3)到10~(-11)((?)cm)~(-1),其激活能在0.23～0.88eV 之间(0～200℃温度范围内),光禁带宽度为1.40～2.20eV,氢含量约为2～20%.     

高速硬车削淬火钢的实验研究

通过改变高速车削淬火钢（Cr12）的切削用量，对切削力、切削温度、加工表面质量等进行了研究，结果表明合理选择切削用量，高速硬车削淬火钢可显著提高生产率及加工表面质量，并在一定程度上可取代磨削加工。     

重油催化裂化装置高温烟气冷却器的改造

对重油催化裂化装置原有的高温烟气冷却器进行改造的情况和改造后的烟冷器的优点进行了详细论述，并对烟冷器改造后带来的经济效益作了简要介绍。     

Insulating safety analysis of the hot-line sweeping robot

This paper presents a method of calculating the insulating safety distances for hot-line working robots at high voltage when dielectric is adulterated with conducts. Also, finite element method is adopted to calculate the electric field strength to find whether it is beyond the critical. The above methods have been applied to analyze the insulating safety of the robot for hot-line sweeping post insulators in a 220 KV substation. They have also been testified by experimentations.     

Flame retardant and the degradation mechanism of high impact polystyrene/Fe-montmorillonite nanocomposites

High impact polystyrene/Fe-montmorillonite (HIPS/Fe-MMT) nanocomposites were successfully prepared by melting intercalation. The nanostructures of HIPS/Fe-MMT were testified by X-ray diffraction (XRD) and transmission electron microscope (TEM). Corresponding to pure HIPS, the thermal stability of HIPS/Fe-MMT nanocomposites was notably improved. The peaks of heat release rate (PHRR) and the mass loss rate (MLR) were significantly reduced after the formation of the HIPS/Fe-MMT nanocomposites from cone calorimetry. And nanocomposites PHRR was further lower with the increase of Fe-MMT content in the range of 1 to 5 wt%. The degradation mechanism of HIPS and HIPS/Fe-MMT nanocomposites was conducted by pyrolysis gas chromatography mass spectrometry (Py-GC-MS). And the reason of the enhancement of thermal stability maybe is that structural iron is the operative site for radical trapping in the Fe-MMT and the nanostructure enhances the interaction of the chains of the HIPS.     

Boundary Procedures for Summation-by-Parts Operators

Four different methods of imposing boundary conditions for the linear advection-diffusion equation and a linear hyperbolic system are considered. The methods are analyzed using the energy method and the Laplace transform technique. Numerical calculations are done, considering in particular the case when the initial data and boundary data are inconsistent.