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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Excess entropy scaling for transport coefficients: diffusion and viscosity in liquid metals
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Excess entropy scaling for transport coefficients: diffusion and viscosity in liquid metals

机译：传输系数的过量熵定标：液态金属中的扩散和粘度

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摘要

A semi-empirical universal relationship proposed by Rosenfeld for dimensionless transport coefficients in dense fluids, and a universal scaling law proposed by Dzugutov for atomic diffusion in liquids, are tested for diverse liquid metals using molecular dynamics simulations. interatomic potentials derived from the glue potential and second-moment approximation of tight-binding scheme are used to study liquid metals; the angular dependent Tersoff potential and Stillinger-Weber potential are used to investigate Si. Our simulation results give sound support to the above-mentioned universal scaling laws. Following Dzugutov, we have also arrived at a universal scaling relationship between the viscosity coefficient and excess entropy. The simulation results suggest that there approximately exists an exponent correlation between the reduced transport coefficients and the corresponding packing density. © 2005 Elsevier B.V. All rights reserved.
机译：Rosenfeld提出的用于稠密流体中无量纲传输系数的半经验通用关系，以及Dzugutov提出的用于液体原子扩散的通用比例定律，使用分子动力学模拟对多种液态金属进行了测试。由胶态势和紧密结合方案的第二矩近似得到的原子间势用于研究液态金属。角度相关的Tersoff势和Stillinger-Weber势用于研究Si。我们的仿真结果为上述通用缩放定律提供了有力的支持。继Dzugutov之后，我们还得出了粘度系数和过量熵之间的通用比例关系。仿真结果表明，降低的输运系数与相应的堆积密度之间近似存在指数相关性。 ＆复制; 2005 Elsevier B.V.保留所有权利。

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