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.     

纯铜双层辉光离子渗钛组织形成机理及性能分析

采用双层辉光离子渗金属技术对纯铜进行了渗钛处理。用配有能谱仪(EDS)的扫描电子显微镜(SEM)、X射线衍射仪和透射电子显微镜对合金层的显微组织形貌、钛含量分布、相组成及相结构类型进行了观察与测定，对合金层的形成机理进行了探讨，并对其性能进行了对比测定。结果表明：渗钛层由合金层和扩散层组成，合金层主要由TiCu (Cu)固溶体 TiCu4构成，TiCu4为Dla型有序相，TiCu为B2型有序相，扩散层为(Cu)固溶体。渗钛处理后纯铜的表面得到显著强化。     

α-Fe_2O_3(SO_4~(2-),Sn)气敏电阻的温度响应特性

在气敏温度区域内研究了α-Fe_2O_3(SO_4~(2-),Sn)材料的电阻-温度特性,认为表面结构的变化导致温度特性出现峰值并呈现气敏性。可利用空气中电阻温度特性提供的信息改性或发现新的气敏材料。     

Thermally stimulated discharge current studies in pure and fe-doped polystyrene films

Studies were made on the thermally stimulated discharge currents (TSDCs) in pure (undoped) and Fe-doped polystyrene films as a function of polarizing field, polarizing temperature and dopant concentration. While undoped films exhibited a single peak, doped films showed two peaks one at low temperatures and another at high temperatures. The low temperature peak, which exhibits a shift towards lower temperatures with increasing dopant concentration, is attributed to the relaxation of the main chain, while the high temperature peak, which shows a tendency to shift towards higher temperatures with dopant concentration, is due to space charge polarization. The TSDCs were higher for low dopant concentrations than their undoped counterparts, while for high concentrations of the dopant, the TSDCs decreased. Formation of charge transfer complexes at low dopant concentrations and molecular aggregates at higher dopant concentrations are suggested as the possible reasons for this behaviour.     

波形刃铣刀片铣削温度试验分析

进行了铣削温度试验 ,采用改进的人工热电偶法 ,利用动态数据采集系统 ,对波形刃铣刀片的铣削温度进行了采集。利用C语言和MATLAB软件对试验数据进行了分析 ,拟合出温度—时间 (T t)曲线 ,初步得到了受热密度函数 ,为温度场的可视化打下有力的基础     

Tannins/melamine–urea–formaldehyde (MUF) resins substitution of chrome in leather and its characterization by thermomechanical analysis

A new sulfonated melamine–urea–formaldehyde (MUF) resin of relatively low melamine content, prepared according to a sequential formulation, has been shown to be highly effective when coupled with different natural vegetable tannins to produce leather with the same good characteristics of leather prepared with chrome salts. In particular, the antishrinkage effectiveness of the leather prepared according to the new approach is comparable to that obtained with chrome tanned leathers. The comparison of the traditional leather shrinkage temperatures test method with a new thermomechanical analysis (TMA) test method in tension yields thermograms presenting three major modulus of elasticity (MOE) peaks. These are closely connected to molecular level phenomena determining the shrinkage temperature of leather. The three determining parameters appear to be as follows: (1) The average value of the temperatures at which the three MOE peaks occur: the higher the value of this average, the lower is the shrinkage of leather. (2) The average of maximum MOE values of the TMA peaks: the higher this average is, the better is the leather in regard to antishrinkage effectiveness. This means the leather maximum MOE at each peak is a measure of the resistance to the contraction force induced by heat. (3) The relative intensity of the first TMA peak in relation to the second: the higher the value of the MOE for the first TMA peak is in relation to the second peak, the lower the leather shrinkage appears to be. However, it has not been possible to better define or quantify this latter effect. This new TMA test method in tension has also yielded a mathematical relationship correlating the thermogram peak temperatures and MOE averages with the traditional shrinkage temperature to a high degree of confidence. A previous TMA test method, in compression, has proven to yield more problematic and finally not very reliable results when one needs to apply it to a wide variety of different cases. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 1889–1903, 2003     

Development of cable fault location method using fiber optic distributed temperature sensor

When ground-fault problems occur on a cable line, immediate fault location and restoration are required. Therefore, various new methods to locate the fault point instantaneously have been investigated to replace such conventional methods as the Murray loop method and the pulse radar method [1]. These methods require a long time to locate the fault point. One possible fault location method is to sense the temperature rise following a ground fault using a fiber optic distributed temperature sensor. Application of this method was found feasible through sensing the temperature rise at a ground-fault test using a thermocouple as a temperature sensor with test cables [4]. A power/optical composite cable was prepared experimentally and after verifying its thermal mechanical performance, the temperature rise at an incidence of a fault was determined and the anticipated performance was demonstrated in a ground-fault test. This article describes the outline of the test.     

三维PDP放电过程数值模拟软件

介绍了三维PDP放电过程模拟软件，该软件可较真实地反映放电单元的实际情况，对放电性能进行优化设计，且具有通用性强、界面友好、使用方便、功能完善等特点。可对不同结构、不同气体成份、不同驱动电压及波形等情况进行计算。