alexa Molecular Dynamics Investigation andamp; Visualization on the Phase Transition of a Lennard-Jones Fluid | OMICS International | Abstract
ISSN: 2168-9806

Journal of Powder Metallurgy & Mining
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Research Article

Molecular Dynamics Investigation & Visualization on the Phase Transition of a Lennard-Jones Fluid

A. Sheikhi, M. Shariaty-Niassar*

School of Chemical Engineering, College of Engineering, University of Tehran, Iran

*Corresponding Author:
M. Shariaty-Niassar
Transport Phenomena and Nanotechnology Laboratory
School of Chemical Engineering, College of Engineering
University of Tehran, P.O. Box 11155-4563, Tehran, Iran
E-mail: [email protected]

Received Date: May 03, 2012; Accepted Date: August 02, 2012; Published Date: August 05, 2012

Citation: Sheikhi A, Shariaty-Niassar M (2012) Molecular Dynamics Investigation & Visualization on the Phase Transition of a Lennard-Jones Fluid. J Powder Metall Min 1:103. doi: 10.4172/2168-9806.1000103

Copyright: © 2012 Sheikhi A, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.


Two methods of ‘gradual cooling’ and ‘freezing’ were developed and hired to impose phase transition to nanoscale pure argon system as a general important example of Lenard-Jones fluids. Also, for more consideration two different duration of gradual cooling were applied to transmit the gaseous phase to liquid and then to the solid state. To investigate phase transition of liquid state argon to solid state more explicitly, the condensed phase was simulated by means of ‘freezing’ method and compared to above cooling ways. Moreover, MDS (molecular dynamics simulation) was introduced as an useful tool for visualization and better understanding connection of molecular phenomena behavior and macroscopic events. A great consistency between simulation results and previously reported data was observed which represented MDS studies and visualizations as a powerful tools for phase transition thermodynamic studies.


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