耗散粒子动力学和其它粒子模型中几何复杂受限系统中流体流动无滑移边界条件的相场方法
A phase field approach to no slip boundary conditions in dissipative particle dynamics and other particle models for fluid flow in geometrically complex confined systems
摘要：
耗散粒子动力学（DPD）是一种有效的介观粒子模型，由于采用了软势，其计算成本低于分子动力学。然而，软电势不足以防止用于表示流体的DPD颗粒穿透由静止DPD颗粒表示的固体边界。相位场变量用于指示在点和时间t处的相位，并且在界面上从-1（相位1）到+1（相位2）平滑过渡。我们描述了一个有效的实现无滑移边界条件的DPD模型，结合固体-液体粒子-粒子的相互作用与反射在一个尖锐的边界位于亚网格尺度精度使用相场。这种方法可以用于任意复杂的流动几何形状和其他类似的粒子模型（如光滑粒子流体动力学），和DPD模拟的各种几何形状的受限系统中的流动的模型的有效性证明。
英文摘要：
Dissipative particle dynamics (DPD) is an effective mesoscopic particle model with a lower computational cost than molecular dynamics because of the soft potentials that it employs. However, the soft potential is not strong enough to prevent the DPD particles that are used to represent the fluid from penetrating solid boundaries represented by stationary DPD particles. A phase field variable, , is used to indicate the phase at point and time t, with a smooth transition from -1 (phase 1) to +1 (phase 2) across the interface. We describe an efficient implementation of no-slip boundary conditions in DPD models that combines solid-liquid particle-particle interactions with reflection at a sharp boundary located with subgrid scale accuracy using the phase field. This approach can be used for arbitrarily complex flow geometries and other similar particle models (such as smoothed particle hydrodynamics), and the validity of the model is demonstrated by DPD simulations of flow in confined systems with various geometries.
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