First-principles calculation of phase equilibria and phase separation of the Fe-Ni alloy system

Theoretical investigation of the phase equilibria of the Fe-Ni alloy has been performed by combining the FLAPW total energy calculations and the Cluster Variation Method through the Cluster Expansion Method. The calculations have proved the stabilization of the LIE phase at 1：3 stoichiometry, which is in agreement with the experimental result, and predicted the existence of L1 0 as a stable phase below 550 K; this L1 0 phase has been missing in the conventional phase diagram. The calculations are extended to the Fe-rich region that is characterized by a wide range phase separation and has drawn considerable attention because of the intriguing Invar property associated with a Fe concentration of 65%. To reveal the origin of the phase separation, a P-V curve in an entire concentration range is derived by the second derivative of free energy functional of the disordered phase with respect to the volume. The calculation confirmed that the phase separation is caused by the breakdown of the mechanical-stability criterion. The newly calculated phase separation line combined with the L1 0 and L12Eorder-disordered phase boundaries provides phase equilibria in the wider concentration range of the system. Furthermore, a coefficient of thermal expansion （CTE） is attempted by incorporating the thermal vibration effect through harmonic approximation of the Debye-Gruneisen model. The Invar behavior has been reproduced, and the origin of this anomalous volume change has been discussed.     

Photoelectrochemical energy conversion system modeled on the photosynthetic process

Photo-excitable electrodes were prepared by incorporating magnesium chlorophyll (MgChl) or manganese chlorophyll (MnChl) into the thin layer of such liquid cyrstals as N-(p-methoxybenzylidene)-p-butylaniline (MBBA) and 4′-heptyl-4-cyanobiphenyl (HCB), being attached to the platinum surface. The MgChl—MBBA electrode gave the positive photo-induced potential shift in an acidic solution. In sharp contrast, the negative photo-induced potential shift was developed by the MnChl—HCB electrode in an alkaline solution. The involvement of a liquid crystal prominently enhanced the photo-response of the immobilized chlorophylls. The photoelectrochemical energy conversion system modeled on the photosynthetic process was assembled by employing the MgChl—MBBA and the MnChl—HCB electrodes as a cathode and an anode, respectively. The photocurrent derived from the system was concluded to result from the decomposition of water, since an evidence for the molecular oxygen evolution at the MnChl—HCB electrode was obtained. Furthermore, the incorporation of β-carotene was found to markedly enhance the stability of the MnChl—HCB electrode.     

Radiation-induced graft copolymerization of mixtures of styrene and n-butyl acrylate onto cellulose and cellulose triacetate

Mixtures of styrene and n-butyl acrylate of various compositions were grafted onto cellulose and cellulose triacetate fibers preirradiated with γ-rays at 0°C in air. Monomer reactivity ratios of the grafted copolymers were found to be different from those of the nongrafted copolymers or those of AIBN-initiated copolymers. The active species initiating the graft copolymerization were trapped radicals for cellulose and peroxides for cellulose triacetate. Kinetic investigations of the graft copolymerization of styrene onto preirradiated cellulose triacetate fibers were also carried out, and it was found that the kinetic scheme for radical polymerization is also applicable to graft copolymerization in a heterogeneous system.     

Effects of amino acid replacements around the reactive site of chicken ovomucoid domain 3 on the inhibitory activity toward chymotrypsin and trypsin

We have previously shown that replacing the P1-site residue(Ala) of chicken ovomucoid domain 3 (OMCHI3) with a Met or Lysresults in the acquisition of inhibitory activity toward chymotrypsinor trypsin, respectively. However, the inhibitory activitiesthus induced are not strong. In the present study, we introducedadditional amino acid replacements around the reactive siteto try to make the P1-site mutants more effective inhibitorsof chymotrypsin or trypsin. The amino acid replacement AspTyrat the P2' site of OMCHI3(P1Met) resulted in conversion to a35000-fold more effective inhibitor of chymotrypsin with aninhibitor constant (K_i) of 1.17x10^–11 M. The K_i valueof OMCHI3(P1Met, P2'Ala) indicated that the effect on the interactionwith chymotrypsin of removing a negative charge from the P2'site was greater than that of introducing an aromatic ring.Similarly, enhanced inhibition of trypsin was observed whenthe AspTyr replacement was introduced into the P2' site of OMCHI3(P1Lys).Two additional replacements, AspAla at the P4 site and ArgAlaat the P3' site, made the mutant a more effective inhibitorof trypsin with a K_i value of 1.44x10^–9 M. By contrast,ArgAla replacement at the P3' site of OMCHI3(P1Met, P2'Tyr)resulted in a greatly reduced inhibition of chymotrypsin, andAspAla replacement at the P4 site produced only a small changewhen compared with a natural variant of OMCHI3. These resultsclearly indicate that not only the P1-site residue but alsothe characteristics, particularly the electrostatic properties,of the amino acid residues around the reactive site of the proteaseinhibitor determine the strength of its interactions with proteases.Furthermore, amino acids with different characteristics arerequired around the reactive site for strong inhibition of chymotrypsinand trypsin.     

One-step formation of ethyl methyl ketone from 1-butene and water on ultrastable Y-type zeolite catalyst

Proton exchanged ultrastable Y-type zeolite with silica/alumina = 40 showed a pronounced catalytic activity for the formation of ethyl methyl ketone directly from 1-butene and water. The formation rate of ethyl methyl ketone was much higher than those on MoO₃-based catalysts in the oxidation of 1-butene by oxygen. It was suggested that the basic site necessary for the formation of ethyl ketone directly from 1-butene and water would be the pentacoordinated Al.     

Ni含量对TiNi形状记忆合金相变行为的影响

用示差扫描热分析仪和光学显微镜系统研究了Ｎｉ含量对ＴｉＮｉ形状记忆合金Ｒ相和Ｍ相相变温度，相变热，热滞的影响。结果表明：在加热和冷却过程中，Ｔｉ－３３．３％Ｎｉ和Ｔｉ－７５．０％Ｎｉ不发生相变；ＴＭ，ΔＭ，ΔＨＭ和ΔＨＲ是Ｎｉ是含量的函数，ＴＲ和ΔＲ基本为一定值，与Ｎｉ含量有关。     

Analysis of electro‐optical properties of polymer‐stabilized OCB and the application to TFT‐LCDs

Abstract— A 9‐in. full‐color polymer‐stabilized OCB TFT‐LCD with stable bend alignment in the absence of an electric field was developed. The condition of the polymer stabilization, the characteristics of UV‐curable monomers, and their influence on the configurations of the polymer network in the cell were studied. Possible models of the configuration were proposed and their relationship to the electro‐optical properties was analyzed using a novel simulation method considering the distribution of anchoring effects from both alignment surfaces and the polymer network. It was suggested that a good performance such as high contrast ratio and fast response could be expected in the polymer network originating from newly developed monomers composed of multifunctional LC acrylates due to a relatively weak‐anchoring effect and presumably its localization near the alignment surfaces. By using the newly developed monomers under the optimized polymer‐stabilizing process, a high contrast ratio of 250:1 and fast response nearly equal to that of a conventional OCB cell were achieved.     

Survey of actual viewing conditions at home and appropriate luminance of LCD‐TV screens

Abstract— To understand actual viewing conditions at home is important for TV design. And the preferred luminance level of LCD TVs under actual viewing conditions is also important in order to obtain both good picture quality and low power consumption. The actual viewing conditions of households and the preferred luminance levels was investigated. In a field test of 83 households, the display luminance, screen illuminance, and viewing locations were measured on site. In laboratory experiments, young and elderly subjects adjusted the luminance of an LCD‐TV screen to their preferred levels under different screen illuminance levels, angular screen sizes, and average luminance levels (ALL) of the images. As a result, two equations, which represent the preferred luminance level of LCD‐TV screens corresponding to different viewing conditions for young and elderly subjects were obtained. When the ALL of the images was 25% and the screen illuminance and angular screen size were set at 100 lx and 20°, respectively, the preferred luminance was 1 60 cd/m² for the young subjects and 248 cd/m² for the elderly subjects. By using the setting of the preferred luminance of an LCD TV under actual viewing conditions, it is possible to conserve energy consumption.     

Concrete with Highly Active Rice Husk Ash

The overall aim was to investtgate the effect of highly active husk ash (RHA) produced by an industrial furnace on some properties of concrete. The strength, pore volume and pore distribution of concrete and the Ca(OH)2 content in concrete were investigated by JIS A 1108 ( Method of test for compressive strength of concrete), a mercury instrument porosimeter, and the thermogravimetric analysis, respectively. The results show that, with RHA replacement of cement , the compressive strength of concrete is increased evidently;the average pore radius of concrete is greatly decreased, especially the portion of the pores greater than 20nm in radius is decreased while the amount, of smaller pores is increased, and the more the RHA replacement, the less the amount of Ca(OH)2 in concrete. The latter two results are the main reasons for the strength enhancement of concrete.     

Predicting the Life Span of Dies Used for Soft Magnetic Core Motors

This paper describes a method of predicting the life span of the dies used in motor manufacture from soft magnetic composites (SMCs). In the present study, a clawtooth motor was used. The method involves performing a stress analysis of a die followed by fatigue testing of test pieces. In the analysis, the SMC was assumed to be in powder form and its yield function was derived by a simple method. In addition to the analysis, we describe a simpler and more effective method in which the properties of the SMC are treated as boundary conditions. In the fatigue tests, we used test pieces that simulated the shape and construction material of the die. To predict the life span of the die, we evaluate the SN diagram, which represents the relationship between the maximum stress and fatigue life with respect to the stress generated in the die. The life expectancy of a new die, which is about 100 cycles of use, is found to agree substantially with its actual life. Furthermore, we explain how to extend the life span of a die to the targeted life span, namely, more than 200,000 cycles of use, by changing its shape to reduce stress.