Prediction of Temperature Dependence of Impurity Diffusion Coefficients in Liquid Metal Based on a Hard-Sphere Model from Measurements Using Shear Cell Technique and Stable Density Layering
Prediction of Temperature Dependence of Impurity Diffusion Coefficients in Liquid Metal Based on a Hard-Sphere Model from Measurements Using Shear Cell Technique and Stable Density Layering
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基于使用剪切池技术和稳定密度分层测量的硬球模型预测液态金属中杂质扩散系数的温度依赖性
DOI：
10.1007/s11663-021-02319-y
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Suzuki Shinsuke
中科院分区：
文献类型：
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作者：
Shiinoki Masato;Yamada Noriyuki;Tanaka Anna;Suzuki Shinsuke
本研究的目的是建立一个硬球（HS）模型和测量结果的基础上的杂质扩散系数的温度依赖性的预测公式。在773 K和973 K（分别为500 °C和700 °C）下，采用剪切池技术和稳定密度分层法，在抑制自然对流的条件下，测量了Sb、Bi和In在液态Sn中的杂质扩散系数。杂质扩散系数的温度依赖性可以通过以下三个因素的溶剂与溶质的比率乘以溶剂的自扩散系数作为斜率来预测：（i）平均原子直径的平方，（ii）由HS模型计算的对分布函数的第一个峰，和（iii）换算原子量的平方根。如果原子直径比接近1，则通过将溶剂与溶质的原子直径比和热力学因子这两个因子乘以溶剂的自扩散系数作为斜率，也可以以与上述关系类似的精度预测杂质扩散系数的温度依赖性。基于HS模型的预测公式在573 K至973 K（300 °C至700 °C）的实验值中显示出约± 10%的准确度。
This study aims to establish predictive formulas for the temperature dependence of impurity diffusion coefficient based on a hard-sphere (HS) model and the measurement results. The impurity diffusion coefficients of Sb, Bi, and In in liquid Sn were measured using the shear cell technique and stable density layering at 773 K and 973 K (500 °C and 700 °C, respectively) with suppression of natural convection. The temperature dependence of the impurity diffusion coefficient can be predicted by multiplying the ratio of the solvent to the solute of the following three factors by the self-diffusion coefficient of the solvent as the slope: (i) the square of mean atomic diameter, (ii) the first peak of the pair distribution function calculated by the HS model, and (iii) the square root of the converted atomic weight. If the ratio of the atomic diameter is close to one, the temperature dependence of the impurity diffusion coefficient can also be predicted with an accuracy similar to the abovementioned relationship by multiplying the following two factors by the self-diffusion coefficient of the solvent as the slope: (i) the atomic diameter ratio of the solvent to the solute and (ii) the thermodynamic factor. The predictive formulas based on the HS model showed an accuracy of approximately ±10 pct for the experimental values from 573 K to 973 K (300 °C to 700 °C).