Published
2016-12-21
Issue
Section
Articles
How to Cite
Micro Processes Study on Structure Change in N-Pentadecane Thin Film Adsorbed on Substrate: A Molecular Dynamics Simulation
Hong-zhen Li
College of Physics and Engineering, Qufu Normal University, Qufu 273165, China
Zeng-xia Mei
Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
Xiao-long Du
Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
Xiang-he Kong
College of Physics and Engineering, Qufu Normal University, Qufu 273165, China
Ke-zhu Yan
College of Physics and Engineering, Qufu Normal University, Qufu 273165, China
DOI: https://doi.org/10.20448/journal.510/2016.3.1/510.1.51.56
Keywords: Structure change, N-alkane, Thin film, Substrate, Molecular dynamics simulation.
Abstract
It is experimentally found that adsorbed thin film consists of chain molecules changes its structure when it is heated at temperature lower than the melting point; but the molecular micro processes are remaining unknown; here we investigated the micro processes of structure change in n-pentadecane thin film adsorbed on substrate by use of molecular dynamics simulation. We found that, at temperature 200K (lower than the melting point), the isotropic amorphous thin film becomes a crystalline thin film in which molecule chains parallel to the substrate with relaxation time of about 12000ps; however, at temperature 290K (also lower than the melting point), the thin film structure changed essentially, the molecule chains changed their orientation from parallel to the substrate becomes nearly perpendicular to the substrate with relaxation time of about 5000ps.