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首页> 外文期刊>The Journal of Chemical Physics >Identifying two regimes of slip of simple fluids over smooth surfaces with weak and strong wall-fluid interaction energies
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Identifying two regimes of slip of simple fluids over smooth surfaces with weak and strong wall-fluid interaction energies

机译：在具有弱和强壁流体相互作用能量的平滑表面上识别两个简单流体滑动制度

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摘要

The slip behavior of simple fluids over atomically smooth surfaces was investigated in a wide range of wall-fluid interaction (WFI) energies at low shear rates using non-equilibrium molecular dynamics simulations. The relationship between slip and WFI shows two regimes (the strong-WFI and weak-WFI regimes): as WFI decreases, the slip length increases in the strong-WFI regime and decreases in the weak-WFI regime. The critical value of WFI energy that separates these regimes increases with temperature, but it remains unaffected by the driving force. The mechanism of slip was analyzed by examining the density-weighted average energy barrier ((Delta E) over bar) encountered by fluid atoms in the first fluid layer (FFL) during their hopping between minima of the surface potential. We demonstrated that the relationship between slip and WFI can be rationalized by considering the effect of the fluid density distribution in the FFL on (Delta E) over bar as a function of the WFI energy. Moreover, the dependence of the slip length on WFI and temperature is well correlated with the exponential factor exp(-(Delta E) over bar/(k(B)T)), which also determines the critical value of WFI between the strong-WFI and weak-WFI regimes. Published by AIP Publishing.
机译：在使用非平衡分子动力学模拟的低剪切速率下，在各种壁流体相互作用（WFI）能量中研究了在原子平滑表面上的简单流体的滑移行为。滑坡与WFI之间的关系显示了两种制度（强WFI和WFI弱）：随着WFI的降低，SLIP长度在强WFI制度中增加，弱WFI制度下降。将这些制度分开的WFI能量的临界值随温度而增加，但它仍未受到驱动力的影响。通过在其在表面电位的最小值之间跳跃期间，通过在第一流体层（FFL）中遇到的流体原子在第一流体层（FFL）中遇到的密度加权平均能量屏障（（Delta e））来分析滑动机制。我们证明，通过考虑FFL在（Delta E）上的流体密度分布作为WFI能量的函数，可以通过考虑流体密度分布的效果来合理地进行合理合理的。此外，滑动长度对WFI和温度的依赖性与指数因子exp（ - （Δe）过度/（k（b）t））相关，这也决定了WFI之间的临界值 - WFI和WFI弱者制度。通过AIP发布发布。

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