Influence of Solid-liquid Interaction and Temperature on the Dynamic Dewetting of a Thin Polymer Film:A Molecular Dynamics Study  

作　　者：ZHAO Li XUE Xiang-gui LU Zhong-yuan 

机构地区：[1]State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China

出　　处：《Chemical Research in Chinese Universities》2011年第2期324-328,共5页高等学校化学研究（英文版）

基　　金：Supported by the National Natural Science Foundation of China(Nos.20774036; 50930001; 20933001);the Program for New Century Excellent Talents in University of China and Fok Ying Tung Education Foundation(No.114018)

摘　　要：Coarse-grained molecular dynamics simulations were carried out to investigate the dewetting behavior of a polymer thin film on partial wetting solid surface at the early stage of the dewetting process. Spontaneous dewetting is initiated by removing a band of strip from both the ends of the liquid polymer film which has achieved equilibrium. The solid-liquid interaction and temperature were varied to show their influence on the dewetting dynamics during dewetting as well as the shape evolution of the liquid polymer film. As is consistent with the results obtained in previous researches, the liquid film recedes at a constant speed initially with different solid-liquid couplings and tempe- ratures. Furthermore, smaller coupling parameters or higher temperatures tend to accelerate the recession speed of the liquid film and shorten the constant-speed recession duration. Obvious rims were not always observed. Both coupling parameter and temperature can influence the emergence of the rims.Coarse-grained molecular dynamics simulations were carried out to investigate the dewetting behavior of a polymer thin film on partial wetting solid surface at the early stage of the dewetting process. Spontaneous dewetting is initiated by removing a band of strip from both the ends of the liquid polymer film which has achieved equilibrium. The solid-liquid interaction and temperature were varied to show their influence on the dewetting dynamics during dewetting as well as the shape evolution of the liquid polymer film. As is consistent with the results obtained in previous researches, the liquid film recedes at a constant speed initially with different solid-liquid couplings and tempe- ratures. Furthermore, smaller coupling parameters or higher temperatures tend to accelerate the recession speed of the liquid film and shorten the constant-speed recession duration. Obvious rims were not always observed. Both coupling parameter and temperature can influence the emergence of the rims.

关 键 词：Polymer film DEWETTING Molecular dynamics simulation 

分 类 号：TN252[电子电信—物理电子学] TG111.4[金属学及工艺—物理冶金]