INVESTIGATION OF ARGON FLOW INDUCED BY TEMPERATURE DIFFERENCE USING THE MOLECULAR DYNAMICS SIMULATION

摘要

In the present work, Molecular Dynamics technique is performed to study free convection in the square cavity. Simulated system is a 3-dimensional box containing fluid atoms. The walls of box are solid and formed in FCC. Fluid and solid atoms are chosen as argon and platinum respectively. The pair potential between fluid-fluid and fluid-wall atoms is governed by truncated Lennard-Jones (6-12) potential as these molecules have well-established molecular potential interaction. The periodic boundary condition (PBC) is applied in only one direction being perpendicular to the simulation surface. It helps ignore the effects of wall in this dimension. Half of the box is remained in a constant temperature (T1) and the temperature of opposite half is set to different value (T2). The velocity field is obtained and its dependency to the temperature ratio (T1/T2) is investigated. Also, we are eager to obtain the effect of gravity force on the velocity fields.