Dynamical density functional theory with hydrodynamic interactions in confined geometries
Dynamical density functional theory with hydrodynamic interactions in confined geometries
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DOI：
10.1063/1.4968565
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发表时间：
2016-12-21
影响因子：
4.4
通讯作者：
Kalliadasis, S.
中科院分区：
文献类型：
--
作者：
Goddard, B. D.;Nold, A.;Kalliadasis, S.
我们研究胶体流体在无约束几何形状和被硬壁约束时的动力学。在最小假设下，我们推导出动态密度泛函理论 (DDFT)，其中包括流体动力相互作用（HI；浴介导力）。通过使用基于积分微分方程伪谱方法的有效数值方案，我们证明了其与部分约束硬盘系统的完全底层 Langevin 方程非常一致。我们进一步使用衍生的 DDFT 形式来阐明 HI 在受限系统中的关键影响。由 AIP 出版社出版。
We study the dynamics of colloidal fluids in both unconfined geometries and when confined by a hard wall. Under minimal assumptions, we derive a dynamical density functional theory (DDFT) which includes hydrodynamic interactions (HI; bath-mediated forces). By using an efficient numerical scheme based on pseudospectral methods for integro-differential equations, we demonstrate its excellent agreement with the full underlying Langevin equations for systems of hard disks in partial confinement. We further use the derived DDFT formalism to elucidate the crucial effects of HI in confined systems. Published by AIP Publishing.