材料期刊网

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

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

Reply to Comments on "Interdiffusion in the beta phase region of the Ni-Al-Cr system"

Scripta Materialia

A recent comment on a previously published paper addressed the invalid explanation of the off diagonal interdiflusion coefficients of the beta-Ni(Al,Cr) phase in the Ni-Cr-Al system according to the symmetric property of the thermodynamic matrix. In this paper, the experimental data presented by Hou et al. was reanalyzed and the interdiffusion coefficient matrix was estimated again. The results of the analysis have been discussed in terms of a brief reply to the comments of Liu and Liang. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

关键词: Diffusion;Intermetallic compound;Ni-Cr-Al

Cu-Zr/ZrN薄膜体系的电阻率和纳米压入研究

白宣羽 , 汪渊 , 徐可为

稀有金属材料与工程

采用磁控溅射方法在Si(111)基片上沉积Cu-Zr/ZrN薄膜体系作为扩散阻挡层.通过比较Cu-Zr/ZrN薄膜体系和三元非晶(Mo,Ta,W)-Si-N的电阻率,同时比较Cu-Zr/ZrN薄膜体系和Ta,YaN的硬度,说明作为扩散阻挡层的材料的选取,应从整体性能上考虑,而不能仅仅考虑热稳定性等单一指标.

关键词: 非晶 , 电阻率 , 纳米压入 , 硬度

制冷剂过热气体热力性质的隐式拟合方法

张春路 , 丁国良 , 李灏

工程热物理学报

准确、快速、稳定地计算制冷剂热力性质是计算机辅助设计和工程计算的 要求。本文将隐式拟合方法与MartinHou方程相结合，提出制冷剂过热气体热力 性质的隐式拟合方法，该方法不仅具有形式统一、精度高、速度快、外推性和 稳定性好的优点，而且保证了过热区与两相区之间热力性质的连续性

关键词: 制冷剂 , 过热气体 , 热力性质 , 拟合

Studies of the g factors and the local structure for Ni3+in LaAl0.9Ni0.1O3, La0.75Y0.25Al0.99Ni0.01O3 and YAl0.9Ni0.1O3

Radiation Effects and Defects in Solids

The electron paramagnetic resonance g factors and the local structure for Ni3+ in LaAl0.9Ni0.1O3 (LAN), La0.75Y0.25Al0.99Ni0.01O3 (LYAN) and YAl0.9Ni0.1O3 (YAN) are theoretically studied from the perturbation formulas of the g factors for a 3d7 ion of low spin (S = 1/2) in tetragonally elongated octahedra. In these formulas, the contributions to the g factors from the tetragonal distortion, characterized by the tetragonal field parameters Ds and Dt are taken into account. According to the calculations, the ligand octahedra around Ni3+ are suggested to suffer 2% relative elongation along the [001] (or C4) axis due to the Jahn-Teller effect.

关键词: defect structures;electron paramagnetic resonance;crystal-fields and;spin Hamiltonians;Ni3+;LaAlO3;LaYAlO3;YAlO3;atomic screening constants;optical-spectra;paramagnetic-resonance;superconducting tapes;lattice-distortions;superposition model;scf;functions;cr3+ ions;crystals;epr

非微扰QCD和核遮蔽效应对K因子的影响

智海素 , 侯召宇

原子核物理评论 doi:10.3969/j.issn.1007-4627.2006.01.002

考虑非微扰量子色动力学物理真空夸克凝聚效应,计算了碳核与碳核在质心系能量分别为630和200 GeV时碰撞Drell-Yan过程的K因子,以及加入核遮蔽因子后非微扰效应对K因子的影响,并把计算结果与没有考虑夸克凝聚非微扰效应的K值进行了对比.结果表明,非微扰效应和核遮蔽效应对K因子影响很小.

关键词: K因子 , Drell-Yan过程 , 夸克凝聚 , 非微扰量子色动力学 , 核遮蔽效应

缝合复合材料低速冲击损伤研究

曾东 , 燕瑛 , 王立朋 , 刘兵山

复合材料学报 doi:10.3321/j.issn:1000-3851.2005.06.022

通过三维动力学有限元法,采用空间杆单元来描述缝线,结合试验系统地研究了缝合复合材料的低速冲击损伤问题.采用修正的赫兹接触定律计算冲击接触力,NewMark直接积分法求解运动方程,求解冲击过程中的应力应变;在Chang和Hou等的分层扩展准则基础上,提出一修正的分层扩展准则并考虑纤维断裂,建立了分析低速冲击损伤面积的方法;对相同铺层的缝合与未缝合复合材料层板进行了低速冲击试验.分析结果与实验结果具有良好的一致性,证明本文中提出的修正的分层扩展准则是正确的.计算及试验结果均表明,在相同冲击能量作用下,缝合使冲击损伤面积明显减小.

关键词: 缝合复合材料 , 低速冲击 , 三维有限元 , 损伤面积