Using the pair correlation function obtained via square well (SW) model [Mishra et al. 2015 Chem. Phys. 457 13], we calculate the pair excess entropy of liquid metals and determined the diffusion coefficients via Dzugutov’s excess entropy-diffusivity scaling relation. Further, the applicability of the Stokes-Einstein relation for SW potential is validated by comparing the computed shear viscosity coefficients (η_V) of liquid metals with the available experimental data. Reduced η_V of considered systems has been derived and scaled with the excess entropy. We compute isothermal compressibility, surface tension and surface entropy of the investigated liquids by using diffusion coefficient data obtained from excess entropy scaling law. It is found that the computed values are in good agreement with the corresponding experimental data. Thus, we demonstrate that the Dzugutov scheme can be applied successfully to SW liquid metals to correlate their microscopic structural functions with their surface and thermodynamic properties.

中文翻译：

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金属熔体中斯托克斯-爱因斯坦关系的输运系数和有效性：来自过量熵定律

使用通过平方井（SW）模型获得的对相关函数[Mishra等。2015年化学 物理 [457 13]，我们计算了液态金属对的超额熵，并通过Dzugutov的超额熵-扩散率比例关系确定了扩散系数。此外，斯托克斯-爱因斯坦关系为SW潜在的适用性，通过所计算的剪切粘度系数（比较验证η _V液态金属）与实验数据。减少η _V已经考虑的系统的数量已经被导出并通过过量的熵进行缩放。我们通过使用从过量熵定标定律获得的扩散系数数据来计算所研究液体的等温压缩性，表面张力和表面熵。发现计算值与相应的实验数据非常吻合。因此，我们证明了Dzugutov方案可以成功地应用于SW液态金属，以使它们的微观结构功能与其表面和热力学性质相关联。