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Verification of the Stokes-Einstein relation in liquid noble metals over a wide range of temperatures
Physics Letters A ( IF 2.3 ) Pub Date : 2021-04-28 , DOI: 10.1016/j.physleta.2021.127385
Most. Nayema Khatun , R.C. Gosh

The validity of Stokes-Einstein (SE) relations in liquid noble metals namely Cu, Ag and Au over a wide temperature range has been studied using Dzugutov's scaling scheme and Faber's hard-sphere (HS) theory of transport coefficients. Basic ingredients of those theories are the temperature-dependent effective HS diameter and excess entropy. To determine them, we have applied variational modified hypernetted chain theory in conjunction with effective interionic interaction derived from embedded atomic method (EAM) with both temperature-dependent and independent adjustable parameters α and b. Obtained ingredients using α(T) and b(T) are close to the available experimental data than those obtained using fixed α and b with an empirical relation. Calculated transport coefficients are in good agreement with experimental data when scaling scheme with α(T) and b(T) has been considered. Simplified SE relations from transport coefficients hold when scaling scheme has been applied with α(T) and b(T) and lies around the slip boundary line.



中文翻译:

在广泛的温度范围内验证液态贵金属中的斯托克斯-爱因斯坦关系

使用Dzugutov的缩放比例方案和Faber的硬质球(HS)输运系数理论,研究了在宽温度范围内液态贵金属Cu,Ag和Au中Stokes-Einstein(SE)关系的有效性。这些理论的基本要素是温度相关的有效HS直径和过量熵。为了确定它们,我们应用了变分修正超网状链理论,并结合了从嵌入原子方法(EAM)获得的有效离子间相互作用,该相互作用具有温度相关和独立的可调参数αb。使用获得的成分αŤbŤ与使用具有经验关系的固定αb获得的数据相比,它们更接近可用的实验数据。当比例缩放时,计算的输运系数与实验数据吻合良好。αŤbŤ已经考虑过了。当采用比例缩放方案时,通过传输系数简化的SE关系成立αŤbŤ 并位于滑移边界线周围。

更新日期:2021-05-04
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