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Improved Nonlinear Equation Method for Numerical Prediction of Jominy EndQuench Curves

SONG Yuepeng , LIU Guoquan , LIU Shengxin , LIU Jiantao , FENG Chengming

钢铁研究学报(英文版)

Without considering the effects of alloying interaction on the Jominy endquench curves, the prediction results obtained by YU Baihai′s nonlinear equation method for multialloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy endquench curves of steels. An improved mathematical model for simulating the Jominy endquench curves is proposed by introducing a parameter named alloying interactions equivalent (Le). With the improved model, the Jominy endquench curves of steels so obtained agree very well with the experimental ones.

关键词: Jominy endquench curve;nonlinear equation method;alloying interaction parameter;computer simulation

1998 COMPREHENSIVE TABLE OF CONTENTS

中国腐蚀与防护学报

N。1Atmospheric Corrosivlty for Steels………………………………………………… .LIANG Caideng HO[I i。-tat(6)Caustic Stress Corrosion Cr。king of Alloy 800 Part 2.The Effect of Thiosul执e……………………………………… KONG De-sheng YANG Wu ZHAO Guo-zheng HUANG De.ltL。ZHANG Yu。。he CHEN She。g-bac(13)SERS slid E16CttOCh6iniC81 Stlldy Of Illhibit1Oli M6ch&tllsth Of ThlollY68 Oil ITOll ID H....

关键词:

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

Noncollinear magnetic ground state of PrFeAsO

Europhysics Letters

Noncollinear magnetic investigations of the ground state in PrFeAsO have been performed by the density-functional theory. We calculated the total energy and made structure optimization, and the electronic density of states of PrFeAsO was analyzed. There are three different magnetic structures in PrFeAsO defined by experiments. Based on these magnetic structures, we studied four collinear and four noncollinear cases. The ground state is found to take the ordering proposed by Zhao, in which the FeAs plane is of stripe antiferromagnetism and Pr spins are perpendicular to Fe spins. The electronic density of states indicates that for PrFeAsO the increase of the electron Coulomb interaction leads to a decrease in conductivity. Copyright (C) EPLA, 2011

关键词: high-temperature superconductivity;phase-diagram;oxypnictides;instability

不同烷基酰亚胺的合成及对镥的萃取

刘峙嵘 , 周利民 , 李传茂 , 江小昌

稀有金属 doi:10.3969/j.issn.0258-7076.2006.03.021

合成了7种同一系列新型酰亚胺类萃取剂,并运用元素分析、核磁共振、红外光谱、紫外光谱等测试手段对其物化指标进行了表征.萃取性能表明,烷基酰亚胺萃取稀土镥的能力与骨架空间结构有关.直链烷基酰亚胺萃取镥的能力大于相应的支链烷基酰亚胺,而且随链长的增长萃取能力不断增强.利用斜率法,采取直线线性回归求得镥(Ⅲ)与萃取剂基本上以1:2交换.相同条件下,7种酰亚胺类萃取剂分配比的大小顺序为DOI>DDI>DHI>HAI>HIBI>DBI>BIBI.

关键词: 烷基酰亚胺 , 合成 , , 萃取

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

硝酸羟胺的热稳定性评估及热分解机理研究

刘建国 , 安振涛 , 张倩 , 杜仕国 , 姚凯 , 王金

材料导报 doi:10.11896/j.issn.1005-023X.2017.04.030

为评估氧化剂硝酸羟胺的热稳定性,使用标准液体铝皿于3 K/min、4 K/min、5 K/min加热速率下进行热分析.借助非等温DSC曲线的参数值,应用Kissinger法和Ozawa法求得热分解反应的表观活化能和指前因子,根据Zhang-Hu-Xie-Li公式、Hu-Yang-Liang-Xie公式、Hu-Zhao-Gao公式以及Zhao-Hu-Gao公式,计算硝酸羟胺的自加速分解温度和热爆炸临界温度,并对热分解机理函数进行了研究.设计了7条热分解反应路径,采用密度泛函理论B3LYP/6-311++G(d,p)方法对硝酸羟胺的热分解进行了动力学和热力学计算.计算结果表明,硝酸羟胺热分解的自加速分解温度TsADT=370.05 K,热爆炸临界温度Te0=388.68K,Tbp0=397.54 K,热分解最可几机理函数的微分形式为f(a) =17×(1-α)18/17.硝酸羟胺热分解各路径中,动力学优先支持路径Path 6、Path 5、Path 4和Path 1生成NO和NO2,其次是Path 2、Path 7和Path 3生成N2和N2O.温度在373 K以下时,Path 1'反应无法自发进行,硝酸羟胺无法进行自发的热分解.从热力学的角度来看,硝酸羟胺在370.05K以下储存是安全的.

关键词: 硝酸羟胺 , 热分析 , 热稳定性 , 热分解机理 , 密度泛函理论

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