arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 1504.02567physics.flu-dyncond-mat.soft
收藏

纳米液滴在梯度表面上增强自推进运动的分子动力学研究

Molecular Dynamic Approach of Enhanced Self-Propelled Nano-Droplet Motion on Wettability Gradient Surfaces

Monojit Chakraborty, Anamika Chowdhury, Richa Bhusan, Sunando DasGupta

摘要:

采用分子动力学(MD)模拟方法对具有润湿性梯度的表面上的液滴运动进行了模拟,以突出其物理基础。分别采用GROMACS和可视化分子动力学(VMD)对液滴的形态进行了模拟和间断可视化。模拟模拟实验中,在一个全面的方式,其中微尺寸的液滴被推进的表面润湿性梯度对一些阻滞力。通过改变液壁间Lennard-Jones相互作用参数和基底温度,研究了它们对三相接触线摩擦系数的影响。在原子尺度下,观察到接触线摩擦是温度的强函数,证实了实验观察到的接触线摩擦系数与温度升高之间的反函数。这些MD模拟结果成功地与自推进液滴运动模型的结果进行了比较。

英文摘要:

Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent visualization of the droplet configuration respectively. The simulations mimic experiments in a comprehensive manner wherein micro-sized droplets are propelled by surface wettability gradient against a number of retarding forces. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature were varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction was observed to be a strong function of temperature at atomistic scales, confirming the experimentally observed inverse functionality between the coefficient of contact line friction and increase in temperatures. These MD simulation results were successfully compared with the results from a model for self-propelled droplet motion on gradient surfaces.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑