Jiuzhou ZHAO
,
L.Ratke
,
Jun JIA
,
Qingchun LI
材料科学技术（英文）
The microstructure development during a cooling period of alloys being immiscible in the liquid state such as Al-Pb or Al-Bi has gained renewed scientific and technical interest during the last decades. Experiments have been performed to investigate the phase transformation kinetics in the liquid miscibility gap and numerical models have been developed to simulate and analyze the solidification process. The recently developed computational modeling techniques can, to some extent, be applied to describe the decomposition, the spatial phase separation and the microstructure evolution during a cooling period of an immiscible alloy through the miscibility gap. This article overviews the researches in this field.
关键词:
Immiscible alloy
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null
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null
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null
Jiuzhou ZHAO
,
L.Ratke
材料科学技术（英文）
A numerical model is presented describing the microstructure evolution of an immiscible alloy under the continuous casting conditions. Calculations are carried out to investigate the microstructure evolution in a vertical strip cast sample of Al+5 wt pct Pb alloy. The numerical results show that there exists a peak value for the supersaturation in front of the solid/liquid interface, and the minority phase droplets are nucleated in a region around this peak. Under strip casting conditions the Marangoni migration dominates the motion of droplets. This leads to an accumulation of the minority phase droplets in front of the solid/liquid interface.
关键词:
Immiscible alloy
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null
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null
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null
Jiuzhou ZHAO
材料科学技术（英文）
Modeling and simulation have been carried out for Al-Pb alloys to investigate the Brownian coagulation effect on the microstructure development in a gas-atomized drop during the liquid-liquid decomposition. The results indicate that Brownian coagulation has a weak effect on the nucleation and a relatively strong effect on coarsening the minority phase droplets. The influence of Brownian coagulation on the liquid-liquid decomposition decreases with the increase in the diameter (or the decrease in the cooling rate) of the atomized drop.
关键词:
Immiscible alloy
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null
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null
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null
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null
Jiuzhou ZHAO
,
Dongming LIU
,
Hengqiang YE
材料科学技术（英文）
In order to understand the solidification process of an atomized droplet and predict the fraction solidification of droplets with flight distance during spray forming, a numerical model based on the population dynamics approach is developed to describe the microstructure evolution under the common action of the nucleation and growth of grains. The model is coupled with droplets heat transfer controlling equations and solved for Al-4.5~wt~pct Cu alloy. It is demonstrated that the numerical results describe the solidification process well.
关键词:
Rapid solidification
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null
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null
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null
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
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
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热分析
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热稳定性
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热分解机理
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密度泛函理论
