蒸发诱导水中亚微米颗粒自组装的数值研究
Numerical Investigation of Evaporation Induced Self-Assembly of Sub-Micron Particles Suspended in Water
摘要：
对悬浮在水膜中的亚微米颗粒的自组装进行了数值研究。允许液体介质蒸发，仅留下亚微米颗粒。采用CFD-DEM耦合方法模拟流固耦合。考虑了颗粒与流体之间以及颗粒之间的动量交换和热量传递。采用历史相关接触模型计算亚微米颗粒间的接触力。使用开源软件包CFDEM进行模拟，该软件包基本上由另外两个开源软件包OpenFOAM和LIGGstrom组成。OpenFOAM是CFD相关问题的广泛使用的求解器。本文采用LAMMPS的改进型LIGGERMAN对颗粒材料进行离散元模拟。从配位数分布和径向分布函数（RDF）的角度讨论了亚微米粒子的最终堆积结构。最终的堆积结构表明，随着水的蒸发，颗粒形成团簇并呈现出一定的图案。
英文摘要：
Self-assembly of sub-micron particles suspended in a water film is investigated numerically. The liquid medium is allowed to evaporate leaving only the sub-micron particles. A coupled CFD-DEM approach is used for the simulation of fluid-particle interaction. Momentum exchange and heat transfer between particles and fluid and among particles are considered. A history dependent contact model is used to compute the contact force among sub-micron particles. Simulation is done using the open source software package CFDEM which basically comprises of two other open source packages OpenFOAM and LIGGGHTS. OpenFOAM is a widely used solver for CFD related problems. LIGGGHTS, a modification of LAMMPS, is used for DEM simulation of granular materials. The final packing structure of the sub-micron particles is discussed in terms of distribution of coordination number and radial distribution function (RDF). The final packing structure shows that particles form clusters and exhibit a definite pattern as water evaporates away.
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