Hybrid model for combined particle and continuum dynamics
Hybrid model for combined particle and continuum dynamics
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DOI：
10.1209/epl/i2000-00434-8
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发表时间：
2000-11-01
期刊：
影响因子：
--
通讯作者：
Feder, J
中科院分区：
文献类型：
--
作者：
Flekkoy, EG;Wagner, G;Feder, J
连续场的微分方程描述了许多宏观现象。例如，流体动力学由纳维-斯托克斯方程描述，其解取决于边界条件。然而，边界条件是由原子或分子尺度上的相互作用设定的。我们引入了一个“混合模型”，允许在一个区域的连续描述耦合到另一个区域的原子描述。耦合是对称的，在这个意义上，守恒量的通量是连续的整个粒子场界面。作为一个例子，我们耦合的Lennard-Jones液体和可压缩Navier-Stokes方程，并表明该混合模型是一致的流体动力学预测。
Differential equations for continuum fields describe many macroscopic phenomena. Hydrodynamics, for example, is described by the Navier-Stokes equations, and their solutions depend on boundary conditions. However, boundary conditions are set by the interactions at the atomistic or molecular scale. We introduce a "hybrid model" that permits a continuum description in one region to be coupled to an atomistic description in another region. The coupling is symmetric in the sense that the fluxes of the conserved quantities are continuous across the particle-field interface. As an example, we couple a Lennard-Jones liquid and the compressible Navier-Stokes equations and show that the hybrid model is consistent with hydrodynamic predictions.