论文标题
分子动力学仿真研究对一系列球形纳米颗粒的聚合物液滴转运
Molecular dynamics simulation study of a polymer droplet transport over an array of spherical nanoparticles
论文作者
论文摘要
使用分子动力学模拟研究了通过纳米结构界面驱动的部分润湿聚合物液滴的动态行为。我们认为珠子弹簧模型代表了一种聚合物液体，该聚合物液体部分湿透了由周期性球形颗粒组成的粗糙表面。结果表明，在足够小的外力值下，液滴保持固定在颗粒的表面上，而高于阈值的运动，其运动由固定的交替时期和相邻粒子之间的快速位移组成。后一个过程涉及由于接触线的附着和脱离而导致的前进和接触角的周期性变化。最后，在增加外力后，质量的液滴中心稳定地移位，但是恢复接触角的振荡幅度以及最大接触角滞后均保持相对不受影响。
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a rough surface composed of a periodic array of spherical particles. It is shown that at sufficiently small values of the external force, the droplet remains pinned at the particles' surface, while above the threshold, its motion consists of alternating periods of pinning and rapid displacements between neighboring particles. The latter process involves large periodic variation of the advancing and receding contact angles due to attachment and detachment of the contact line. Finally, upon increasing external force, the droplet center of mass is displaced steadily but the oscillation amplitude of the receding contact angle as well as the maximum contact angle hysteresis remain relatively unaffected.
