Paper Citing NAMD - Abstract
Kwon, Tae Woo; Ambrosia, Matthew Stanley; Jang, Joonkyoung; Ha, Man Yeong
Dynamic hydrophobicity of heterogeneous pillared surfaces at the nano-scale
JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, 29:1663-1671, APR 2015
In this study, the static and dynamic behaviors of nano-scale water droplets on heterogeneous surfaces were investigated using molecular dynamics simulations. The surface consisted of a flat plate and pillar structures. The surface was designed with four pillar heights and three pillar characteristic energies. Simulations were first run so that the water droplet reached the static equilibrium state. Once the static water droplets were in Cassie-Baxter state, increasing the pillar height had very little effect on the contact angle. Droplets on the surface with the strongest pillar characteristic energy never reached the Cassie-Baxter state and contact angles tended to decrease with increasing pillar height. Then five forces were applied to the water droplets parallel to the surface to observe the dynamic behavior of the droplets. Then, the effect of the pillar characteristic energy on the behavior of the dynamic water droplet was discussed using the contact angle hysteresis (cosq theta(Re) - cosq theta(Ad)) as the pillar height and the magnitude of the applied force varied. When compared to the homogeneous cases, it was found that except at the lowest pillar height all of the lower pillar characteristic energy cases were hydrophobic and did not depend much on pillar height or magnitude of force. Whereas the higher pillar characteristic energy cases were generally hydrophilic and the hydrophobicity depended greatly on the magnitude of the force.
