Molecular-Dynamics Simulations of Droplets on a Solid Surface

By using a semi-empirical Lennard-Jones embedded-atom-method potential, we study the influence of many-body forces and atomic size mismatch on the wetting behavior of nano droplets on a solid surface. With molecular dynamics simulations, we find that the contact angle decreases with increasing many-...

Full description

Saved in:
Bibliographic Details
Published in:Chinese physics letters 2010-06, Vol.27 (6), p.152-155
Main Authors: Gao, Yu-Feng, Sun, De-Yan
Format: Article
Language:English
Subjects:
Atomic structure
Contact angle
Droplets
Liquids
Molecular dynamics
Nanostructure
Simulation
Solid surfaces
不匹配
分子动力学模拟
原子尺寸
固体表面
嵌入原子方法
界面结构
相互作用
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:By using a semi-empirical Lennard-Jones embedded-atom-method potential, we study the influence of many-body forces and atomic size mismatch on the wetting behavior of nano droplets on a solid surface. With molecular dynamics simulations, we find that the contact angle decreases with increasing many-body forces. The increase of atomic size mismatch between solid and liquid results in the decrease of contact angles. Our calculation also shows that the interface structure is strongly affected by the interaction between liquid and solid as well as the atomic size mismatch. For weak solid-liquid interaction, the interface layer of the droplet nearest to the solid exhibits a typical simple liquid structure regardless of the size mismatch. For strong solid-liquid interaction, evident ordering in the interface layer is observed for well matched cases.
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/27/6/066802