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Heat Transfer & Transport Phenomena in Microscale

ISBN 印刷: 1-56700-150-5

CLUSTER GROWTH AND STRUCTURES OF LENNARD - JONES MOLECULES NEAR THE CRITICAL POINT

要約

We considered a two-dimensional system consisting of 529 molecules, interacting each other via the full Lennard - Jones potential.
Using a constant volume molecular dynamics simulation method, we studied the behaviour of this system and analysed the cluster growth process near the critical point. We considered several data sets near the critical point and carried out the cluster analysis. By analysing the cluster formation, we obtained a power law - like behaviour for the functions Ns(t), the number of clusters, and S (t), the average number of particles in a cluster.
We also carried out a steady - state analysis for the same data sets. We started the molecular dynamics simulation in the constant NVT ensemble simulation and after about 150 ps we changed the ensemble to NVE for approximately another 300 ps. We calculated the following static properties: isometric heat capacity, isothermal and adiabatic compressibilities.
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