ZHAO Dingguo
,
GUO Peimin
,
ZHAO Pei
钢铁研究学报(英文版)
According to the ion and molecule coexistence theory, the activity model of FeSiB ternary system was established, and the influence of ratio xSi/xFe, boron content and temperature, etc on the activity of the melt compound was investigated. The results show that the FeB activity is high in the liquid iron, when xSi/xFe is 05; the activity of boron increases with increasing the boron content for different contents of xFe and xSi, and the activity of boron at the ratio xFe=04 is about one order of magnitude higher than that for the xFe=08; The activities of the melt compound were also affected by temperature, but the influencing extent was little. The equal activity diagrams of silicon and boron were drawn for the first time according to the model results.
关键词:
activity
,
metallic melt
,
ion and molecule coexistence model
,
equal activity diagram
中国腐蚀与防护学报
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关键词:
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
杨文虎
,
易冉
,
徐阳
,
惠思思
,
曹晓珑
绝缘材料
doi:10.3969/j.issn.1009-9239.2012.01.014
研究了不同外施工频电压下环氧树脂绝缘中的电树枝结构、生长的特性,并用Ding等提出的模型解释了电树枝的发展过程,模拟了其生长曲线.结果表明:在同一电压下,环氧树脂中电树枝的生长速度基本为恒定值,随外施电压的升高,电树枝分枝变少,生长速度基本呈指数增加,且利用模型模拟的生长曲线与实验测试的结果吻合,最后讨论了模型的物理基础.
关键词:
电树枝
,
环氧树脂
,
劣化
,
动力学
,
模型
,
模拟
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
陈伟亮
,
张宁
,
唐昭辉
,
丁学勇
材料研究学报
将Miedema模型与实验数据相结合得到适于Miedema模型的O和S的参数(O:电负性7.04、电子密度6.03、摩尔体积4.59;S:电负性5.8、电子密度3.24、摩尔体积6.97),计算了141种O的二元化合物和145种S的二元化合物生成焓其平均绝对误差(MAPE)分别为36.8%、32.4%.结合Ding导出的三元系相互作用系数计算模型,计算了1873 K时Fe基熔体中O和S与其它元素之间的相互作用系数.与实验数据的比较表明,除个别元素外,计算值与实验值之间误差不大且变化趋势比较一致.将误差较大的Nb、Ag、Pt的电负性参数由原来的4.05、4.35、5.65修正为4.31、4.17、5.57,使用Miedema模型的计算精度有很大的提高.
关键词:
材料科学基础学科
,
Miedema模型
,
含O和S熔体与合金
,
相互作用系数
,
参数的修正
李凤娟
,
吕国光
金属世界
doi:10.3969/j.issn.1000-6826.2014.04.14
通过对烧结配料所需原料及对冷烧结矿成品检验采制样方法的分析,找出影响检验结果真实性的因素,采取有效的改进措施,使本钢原料厂一次配料、本钢炼铁厂265 m2烧结二次配料及265 m2烧结系统各项稳定率有了很大的提高,烧结矿实物质量和各项技术质量指标有了很大的进步,保证了高炉的稳定顺行。
提高本钢265 m2冷烧结矿及原料检验代表性的实践
Practice of Improving the 265 m2 Cold Sinter and Raw Material Inspection Representative
供稿|
李凤娟,吕国光/
LI Feng-juan, LV Guo-guang
DOI:10.3969/j.issn.1000-6826.2014.04.14
导读内容
本钢炼铁厂265 m2烧结机生产所需要的含铁原料比较复杂,一次配料料种较多,且烧结含铁原料是由本钢原料厂二车间供料,原料质量的不稳定,会影响烧结矿质量的提高和新一号高炉的强化及高炉技术指标的改善。本钢质量管理中心驻冷烧检查站加强了对烧结配料所需原料及对冷烧结矿成品检验采制样代表性的研究,采取了一些改进措施,达到了良好的效果。含铁料成分稳定率、烧结矿各项质量和技术指标在稳步地提高。下面,对本钢质量管理中心驻冷烧检查站就提高采样及检验过程的准确性所采取的措施和办法进行说明。
烧结矿采样是半自动采样,每两小时采样一次,作为一个批次,来代表整个2h烧结矿的成份。
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