Molecular dynamical simulation of structure formation after nanodroplet spreading over heterogeneous surfaces

被引：10

作者：

Samsonov, VM ^{[1
]}

Dronnikov, VV ^{[1
]}

Volnukhina, AA ^{[1
]}

Muravyev, SD ^{[1
]}

机构：

[1] Tver State Univ, Tver 170027, Russia

来源：

SURFACE SCIENCE | 2003年 / 532卷

关键词：

computer simulations; molecular dynamics; wetting;

D O I：

10.1016/S0039-6028(03)00089-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Simple (Lennard-Jones) and polymer nanosized droplet spreading over structured (heterogeneous) solid substrates has been simulated on the basis of isothermal molecular dynamics. Three types of modeling substrates with mesoscopic nanosized heterogeneities have been used: stripped surfaces, high-energy surfaces with regularly quadratic low-energy inclusions and low-energy ones with quadratic high-energy inclusions. It has been shown that spreading kinetics and final droplet configurations may be greatly influenced by the mesoscopic structure of the substrate. It has been also found that the macroscopic Cassie law is not always qualitatively, satisfied for a substrate with mesoscopic heterogeneities. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：560 / 566

页数：7