2025 : 4 : 22
Davood Raoufi

Davood Raoufi

Academic rank: Associate Professor
ORCID:
Education: PhD.
ScopusId: 20434506200
HIndex:
Faculty: Faculty of Science
Address:
Phone:

Research

Title
Study of Carbon Atoms Deposited on Graphene Layer Using Molecular Dynamics Simulation
Type
JournalPaper
Keywords
Molecular dynamic, Canonical ensemble, Brenner, Lennard–Jones, Roughness
Year
2011
Journal AIP Conference Proceedings
DOI
Researchers Sedighe Beigom Hoseiny ، Mohammad Moradi ، Davood Raoufi

Abstract

In this paper, the deposition of the carbon atoms on a graphene layer has been investigated by the molecular dynamics simulation in the canonical ensemble at finite temperature. In this simulation we use Brenner potential model for interaction between carbon atoms in the graphene layer and Lennard–Jones of Van der Waals potential model for interaction between carbon atoms (gas) and also between carbon atoms (gas) with the graphene layer. In the process of deposition, aggregation and random distribution of carbon atoms on graphene layer lead to produce a rough surface. We study the behavior and changes of the surface roughness as a function of temperature. Finally, we found that the increasing of temperature increase the surface roughness.