Paper Citing NAMD - Abstract
Hong, Seung Do; Ha, Man Yeong; Balachandar, S.
Static and dynamic contact angles of water droplet on a solid surface using molecular dynamics simulation
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 339:187-195, NOV 1 2009
The present study investigates the variation of static contact angle of a water droplet in equilibrium with a solid surface in the absence of a body force and the dynamic contact angles of water droplet moving on a solid surface for different characteristic energies using the molecular dynamics simulation. With increasing characteristic energy, the static contact angle in equilibrium with a solid surface in the absence of a body force decreases because the hydrophobic surface changes its characteristics to the hydrophilic surface. In order to consider the effect of moving water droplet on the dynamic contact angles, we apply the constant acceleration to an individual oxygen and hydrogen atom. In the presence of a body force, the water droplet changes its shape with larger advancing contact angle than the receding angle. The dynamic contact angles are compared with the static contact angle in order to see the effect of the presence of a body force. (C) 2009 Elsevier Inc. All rights reserved.
