Molecule Dynamics Simulation of Heat Transfer Between Argon Flow and Parallel Copper Plates

Abstract

Molecular dynamics (MD) simulation aiming to investigate heat transfer between argon fluid flow and two parallel copper plates in the nanoscale is carried out by simultaneously control momentum and temperature of the simulation box. The top copper wall is kept at a constant velocity by adding an external force according to the velocity difference between on-the-fly and desired velocities. At the same time the top wall holds a higher temperature while the bottom wall is considered as physically stationary and has a lower temperature. A sample region is used in order to measure the heat flux flowing across the simulation box, and thus the heat transfer coefficient between the fluid and wall can be estimated through its definition. It is found that the heat transfer coefficient between argon fluid flow and copper plate in this scenario is lower but still in the same order magnitude in comparison with the one predicted based on the hypothesis in other reported work. [DOI: 10.1115/1.4029158]