Simulation studies of stick and slip at the solid-liquid boundary

将计算流变学成功地应用于聚合物加工、粘合和理解高剪切率下的润滑等问题，需要对流体进行充分的描述--本构方程--并规定适当的边界条件。本构模型问题已经得到了广泛的研究，本建议旨在解决流动液体和固体表面之间的粘弹性流动的适当边界条件的问题。这一重要领域还没有得到深入的理论和计算研究，我们试图通过分子动力学来阐明其机制。

Successful practical application of computational rheology to polymer processing, to adhesion and to the understanding of lubrication at very high shear rates, among other problems, needs both an adequate description of the fluid - a constitutive equation - and the prescription of proper boundary conditions.The constitutive model problem has been extensively studied, and this proposal seeks to address the question of proper boundary conditions for viscoelastic flow at interfaces between a flowing fluid and a solid surface. This vital area has not been thoroughly studied theoretically and computationally, and we seek to clarify the mechanisms by using molecular dynamics.