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Updated: May 14, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Scheme for contact angle and its hysteresis in a multiphase lattice Boltzmann method
Lei Wang1, Hai-bo Huang, Xi-Yun Lu
1Department of Modern Mechanics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Abstract:
In this paper, a scheme for specifying contact angle and its hysteresis is incorporated into a multiphase lattice Boltzmann method. The scheme is validated through investigations of the dynamic behaviors of a droplet sliding along two kinds of walls: a smooth (ideal) wall and a rough or chemically inhomogeneous (nonideal) wall. For an ideal wall, the wettability of solid substrates is able to be prescribed. For a nonideal wall, arbitrary contact angle hysteresis can be obtained through adjusting advancing and receding angles. Significantly different phenomena can be recovered for the two kinds of walls. For instance, a droplet on an inclined ideal wall under gravity is impossible to stay stationary. However, the droplet on a nonideal wall may be pinned due to contact angle hysteresis. The steady interface shapes of the droplet on an inclined nonideal wall under gravity or in a shear flow quantitatively agree well with the previous numerical studies. Besides, the complex motion of a droplet creeping like an inchworm could be simulated. The scheme is found suitable for the study of contact line problems with and without contact angle hysteresis.
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