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Activity Calculation by Application of Sub-Regular Solution Model in Binary Oxide Systems

HOU Yan-qing , XIE Gang , TAO Dong-ping , LI Rong-xing , YU Xiao-hua

钢铁研究学报(英文版)

To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2% and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16% and 1088% in the systems presenting saturation concentration. The results show that sub-regular solution model is not good for predicting the systems presenting saturation concentration, especially for the systems containing acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example (SiO4)4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub-regular solution model is closer to the characteristics of actual solution and the calculated results are superior.

关键词: sub-regular solution model , binary oxide system , activity

Prediction of Activities in Fe-Based Ternary Liquid Alloys by Hoch-Arpshofen Model

YANG Hong-wei , , LIAN Chao , TAO Dong-ping

钢铁研究学报(英文版)

Thermodynamic properties for an alloy system play an important role in the materials science and engineering. Therefore, theoretical calculations having the flexibility to deal with complexity are very useful and have scientific meaning. The Hoch-Arpshofen model was deduced from physical principles and is applicable to binary, ternary and larger system using its binary interaction parameters only. Calculations of the activities of Fe-based liquid alloys are calculated using Hoch-Arpshofen model from data on the binary subsystems. Results for the activities for Fe-Au-Ni, Fe-Cr-Ni, Fe-Co-Cr and Fe-Co-Ni systems at required temperature are presented by Hoch-Arpshofen model. The average relative errors of prediction are 78%, 45%, 49% and 27%, respectively. It shows that the calculated results are in good agreement with the experimental data except Fe-Au-Ni system, which exhibits strong interaction between unlike atoms. The model provides a simple, reliable and general method for calculating the activities for Fe-based liquid alloys.

关键词: Hoch-Arpshofen model , activity , Fe-based liquid alloy

Activity Calculation in Complex Metallurgical Molten Slag Systems Based on Regular Solution Model

HOU Yan-qing , XIE Gang , TAO Dong-ping , YU Xiao-hua , LI Rong-xing

钢铁研究学报(英文版)

The activity of FetO is very important in ironmaking and steelmaking process. In order to predict the activity of FetO and optimize the operation conditions in ironmaking and steelmaking process, by application of regular solution model in molten slag systems, FeO-Fe2O3-SiO2 ternary system, FeO-Fe2O3-SiO2-CaO and FeO-Fe2O3-SiO2-NiO quaternary systems have been studied by the chemical equilibrium between H2/H2O gas mixture and liquid slag contained in solid iron. The values of interaction energy between cations concerning steelmaking slags have been determined by application of ferric-ferrous iron equilibrium and iron-ferric iron equilibrium. And then the activity of FetO can be calculated. The results show that the relative error is 39% in FeO-Fe2O3-SiO2 system and 18% in FeO-Fe2O3-SiO2-CaO system. The prediction of activities of FetO in the systems are in good agreement with the measurements and the regular solution model is valid for predicting the activity of FetO in complex molten slags systems. The activity of FetO in FeO-Fe2O3-NiO system have not been tested presently, and the calculated result can not be assessed.

关键词: regular solution model , metallurgical molten slag , activity

CSD-La3TaO7薄膜外延生长行为

王耀 , 李成山 , 于泽铭 , 冯建情 , 金利华 , 王辉 , 张平祥

稀有金属

研究CSD技术制备La3TaO7 (LTO)缓冲层过程中前驱液的热分解行为以及热处理工艺对薄膜取向生长的影响,通过选取恰当的LTO前驱液以及快速升温热处理的方法最终获得了良好c轴织构的LTO薄膜.

关键词: 涂层导体 , 缓冲层 , 化学溶液沉积

Bi3+,Eu3+,Tb3+掺杂Lu3TaO7的发光性能研究

刘文鹏 , 张庆礼 , 杨华军 , 周鹏宇 , 孙敦陆 , 高进云 , 谷长江 , 罗建乔 , 王迪 , 殷绍唐

量子电子学报 doi:10.3969/j.issn.1007-5461.2011.02.018

采用固相反应法制备了Bi3+、Eu3+、Tb3+掺杂的Lu3TaO7.测量了样品的X射线衍射谱、激发和发射光谱及荧光衰减曲线.三种离子掺杂的Lu3TaO7均呈现出强的荧光发射,其中Bi3+具有峰位在431 nm处的一强发射宽带,衰减寿命为16.8μs,Eu3+、Tb3+则表现出稀土离子的特征锐发射峰,衰减寿命分别为1.26 ms和1.20 ms.因此,它们均是具有潜在应用前景的重闪烁体材料.

关键词: 材料 , 闪烁体 , Lu3TaO7 , 发光

一种基于锡锑氧化物的透明PN结及整流特性

季振国 , 周荣福 , 毛启楠 , 霍丽娟 , 曹虹

无机材料学报 doi:10.3724/SP.J.1077.2009.09217

利用反应磁控溅射法制备了半导体锡锑氧化物薄膜 (TAO). 根据霍尔效应测试结果,当Sn/Sb 原子比处于0.22~0.33范围内时,TAO薄膜是p型导电的,在此范围之外,TAO薄膜是n型导电的. 光学带隙测量结果表明,不同Sn/Sb比的TAO薄膜的禁带宽度基本相同(~3.9eV).构造了一个全透明的PN结,其中n区为Sn/Sb原子比为0.5的TAO薄膜, p区为Sn/Sb原子比为0.33的TAO薄膜.n区TAO的电极用铟锡氧化物(ITO),p区TAO的电极用Cu薄膜.实验结果表明,由于两种导电类型的TAO薄膜具有相同的禁带宽度,上述透明PN结构具有典型的准同质PN结的整流特性.

关键词: 透明半导体薄膜 , antimony-tin oxide , PN junction

一种基于锡锑氧化物的透明PN结及整流特性

季振国 , 周荣福 , 毛启楠 , 霍丽娟 , 曹虹

无机材料学报 doi:10.3724/SP.J.1077.2009.09217

利用反应磁控溅射法制备了半导体锡锑氧化物薄膜 (TAO). 根据霍尔效应测试结果,当Sn/Sb 原子比处于0.22~0.33范围内时,TAO薄膜是p型导电的,在此范围之外,TAO薄膜是n型导电的. 光学带隙测量结果表明,不同Sn/Sb比的TAO薄膜的禁带宽度基本相同(~3.9eV).构造了一个全透明的PN结,其中n区为Sn/Sb原子比为0.5的TAO薄膜, p区为Sn/Sb原子比为0.33的TAO薄膜.n区TAO的电极用铟锡氧化物(ITO),p区TAO的电极用Cu薄膜.实验结果表明,由于两种导电类型的TAO薄膜具有相同的禁带宽度,上述透明PN结构具有典型的准同质PN结的整流特性.

关键词: 透明半导体薄膜 , 锡锑氧化物 , PN结

Ab initio study of the intrinsic exchange bias at the SrRuO(3)/SrMnO(3) interface

Physical Review B

In a recent publication [S. Dong et al., Phys. Rev. Lett. 103, 127201 (2009)], two (related) mechanisms were proposed to understand the intrinsic exchange bias present in oxides heterostructures involving G-type antiferromagnetic perovskites. The first mechanism is driven by the Dzyaloshinskii-Moriya interaction, which is a spin-orbit coupling effect. The second is induced by the ferroelectric polarization, and it is only active in heterostructures involving multiferroics. Using the SrRuO(3)/SrMnO(3) superlattice as a model system, density-functional calculations are here performed to verify the two proposals. This proof-of-principle calculation provides convincing evidence that qualitatively supports both proposals.

关键词: thin-films;weak ferromagnetism;superlattices;anisotropy;bifeo3;srruo3;model

Correctness and completeness of the theory of bio-energy transport Reply to the comments on "The theory of bio-energy transport in the protein molecules and its properties"

Physics of Life Reviews

Commentaries by Philip W.T. Pong, Nongyue He, S.D. Liang, Tao Song, Yuri Gaididei and Sergey Volkov and Alexander Y. Grosberg on my review article (Pang, 2011 [1]) are answered. The validity of Davydov's mechanism of bio-energy transport, the completeness of theory, outstanding problems, the normalization and validity of wave function of the system in Pang' model as well as other related problems are elucidated in detail. (C) 2011 Elsevier B.V. All rights reserved.

关键词: biological temperature;3 channels;soliton;model

镀钽TiNi形状记忆合金表面的XPS分析

成艳 , 蔡伟 , 李洪涛 , 郑玉峰 , 赵连城

功能材料

采用多弧离子镀的方法在Ti-50.6%(原子分数)Ni形状记忆合金表面沉积了钽镀层.通过X射线光电子能谱(XPS)剖面分析发现TiNi合金表面钽镀层厚度均匀,并且在镀层与基体之间形成一薄层过渡层.将镀钽TiNi合金曝露于空气中后,通过XPS的全谱和高分辨谱图对其表面的成分和价态分析发现,镀钽层表面由于钽在空气中自然氧化形成了一层很薄的钽的氧化膜,最表面为高价钽的氧化物(Ta2O5),次表面为低价钽氧化物的混合物TaO2、TaO和TaOx(x<1).

关键词: TiNi形状记忆合金 , 多弧离子镀 , , 镀层

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