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arXiv 0906.2771cond-mat.softcond-mat.mtrl-sciphysics.flu-dyn
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致密polymer薄膜边界滑移的剪切速率阈值

Shear rate threshold for the boundary slip in dense polymer films

Nikolai V. Priezjev

摘要:

用分子动力学模拟研究了聚合物薄膜中滑移长度与剪切速率的关系。聚合物熔体由线性柔性链的珠-弹簧模型描述。我们发现,在低剪切速率的速度剖面获得一个显着的曲率附近的壁和负滑移长度的绝对值近似等于粘性界面层的厚度。在较高的剪切速率下,速度分布变为线性,滑移长度作为剪切速率的函数迅速增加。从无滑移到稳态滑移流的逐渐过渡与从第一正常模式的时间自相关函数的衰减评估的壁附近的聚合物链的更快松弛相关联。我们还表明,在高熔体密度的聚合物熔体和固体壁之间的界面处的摩擦系数遵循幂律衰减作为滑移速度的函数。在大的滑移速度下,摩擦系数由结构因子中的表面诱导峰、温度和固体壁附近的第一流体层的接触密度的乘积确定。

英文摘要:

The shear rate dependence of the slip length in thin polymer films confined between atomically flat surfaces is investigated by molecular dynamics simulations. The polymer melt is described by the bead-spring model of linear flexible chains. We found that at low shear rates the velocity profiles acquire a pronounced curvature near the wall and the absolute value of the negative slip length is approximately equal to thickness of the viscous interfacial layer. At higher shear rates, the velocity profiles become linear and the slip length increases rapidly as a function of shear rate. The gradual transition from no-slip to steady-state slip flow is associated with faster relaxation of the polymer chains near the wall evaluated from decay of the time autocorrelation function of the first normal mode. We also show that at high melt densities the friction coefficient at the interface between the polymer melt and the solid wall follows power law decay as a function of the slip velocity. At large slip velocities the friction coefficient is determined by the product of the surface induced peak in the structure factor, temperature and the contact density of the first fluid layer near the solid wall.

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