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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Comparing Models for Diffusion in Supercooled Liquids: The Eutectic Composition of the Ag-Cu Alloy
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Comparing Models for Diffusion in Supercooled Liquids: The Eutectic Composition of the Ag-Cu Alloy

机译：过冷液体中扩散的比较模型：Ag-Cu合金的共晶成分

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摘要

We present a comparison between the Continuous Time Random Walk (CTRW) model for dispersive transport and Zwangzig model of self-diffusion in liquids using the cage correlation function as a means for obtaining the characteristic hopping times. This comparison was done using a realistic model for the interactions between metal atoms in a system that is known to form metallic glasses. We find that although the CTRW model uses a pathological mdoel for the distribuiton of waiting times, the predictions of this theory are much closer to the actual diffuison constants than those obtained via Zwanzig's model. We also find that there is a simple linear relationship between the stretching parameter (#beta#) for Kohlrausch-Williams-Watts decay of the cage correlation function and the dispersion parameter (#gamma#) that characterizes the "fractal" distribution of waiting times in the CTRW model.
机译：我们使用笼子相关函数作为获取特征跳跃时间的手段，对用于分散传输的连续时间随机游走（CTRW）模型与液体中自我扩散的Zwangzig模型进行了比较。使用已知模型形成金属玻璃的系统中的金属原子之间相互作用的逼真的模型进行了此比较。我们发现，尽管CTRW模型将病理模型用于等待时间的分布，但是与通过Zwanzig模型获得的预测常数相比，该理论的预测更接近于实际的弥散常数。我们还发现，笼型相关函数的Kohlrausch-Williams-Watts衰减的拉伸参数（＃beta＃）与表征等待时间的“分形”分布的弥散参数（＃gamma＃）之间存在简单的线性关系。在CTRW模型中。

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