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.

Downloads

Download data is not yet available.