%0 Journal Article
	%A D. Toghraie and  A. R. Azimian
	%D 2009
	%J International Journal of Chemical and Molecular Engineering
	%B World Academy of Science, Engineering and Technology
	%I Open Science Index 33, 2009
	%T Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm
	%U https://publications.waset.org/pdf/3746
	%V 33
	%X In this paper, the Lennard -Jones potential is applied
to molecules of liquid argon as well as its vapor and platinum as solid
surface in order to perform a non-equilibrium molecular dynamics
simulation to study the microscopic aspects of liquid-vapor-solid
interactions. The channel is periodic in x and y directions and along z
direction it is bounded by atomic walls. It was found that density of
the liquids near the solid walls fluctuated greatly and that the
structure was more like a solid than a liquid. This indicates that the
interactions of solid and liquid molecules are very strong. The
resultant surface tension, liquid density and vapor density are found
to be well predicted when compared with the experimental data for
argon. Liquid and vapor densities were found to depend on the cutoff
radius which induces the use of P3M (particle-particle particle-mesh)
method which was implemented for evaluation of force and surface
	%P 453 - 457