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Development of empirical relationships for surface accommodation coefficients through investigation of nano-poiseuille flows using molecular dynamics method
Microfluidics and Nanofluidics ( IF 2.3 ) Pub Date : 2020-08-09 , DOI: 10.1007/s10404-020-02375-x
Kishore K. Kammara , Rakesh Kumar

In this work, we have studied the effects of macroscopic (temperature of gas and wall atoms; velocity of gas near the wall) and microscopic properties (energy well-depth parameter, \(\epsilon\), used in Lennard–Jones potential to describe gas–surface interaction strength) on both energy accommodation coefficients (EAC) and tangential momentum accommodation coefficient (TMAC) using molecular dynamics approach. The effect of aforementioned properties is studied through classical force-driven nano-Poiseuille flow using argon gas and platinum walls. Parameters like temperature of wall, external force acting on gas atoms, and energy well depth (\(\epsilon\)) between gas and surface are varied systematically to study the effects of these parameters on accommodation coefficients. Empirical relationship between the accommodation coefficients (TMAC and EAC) and the above-mentioned properties is obtained by performing non-linear regression analysis.



中文翻译:

通过使用分子动力学方法研究纳米泊流,建立表面容纳系数的经验关系

在这项工作中,我们研究了在Lennard-Jones势能中使用的宏观(气体和壁原子的温度;壁附近气体的速度)和微观特性(能量井深参数\(\ epsilon \))的影响。使用分子动力学方法在能量适应系数(EAC)和切向动量适应系数(TMAC)上描述气-面相互作用强度)。通过使用氩气和铂壁的经典力驱动的纳米Poiseuille流研究了上述特性的影响。诸如壁温,作用在气体原子上的外力和能量阱深度(\(\ epsilon \)系统地改变气体和地表之间的),以研究这些参数对调节系数的影响。通过进行非线性回归分析,可以得出调节系数(TMAC和EAC)与上述特性之间的经验关系。

更新日期:2020-08-10
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