Studies of ice melting using molecular dynamics

Abstract

In this paper, the melting of ice 1h is studied using molecular dynamics (MD). Common potential functions employed in the MD simulations include SPC/E, TIP4P, TIP5P, TIP4/ice and TIP5P/E. We first conducted melting of ice bulks and then studied the melting speed of the ice/water interface during ice melting. It is found that various potentials result in similar ice-melting phenomena. The result is compared with the analytical solution for phase change problem. We also studied size effects and temperature gradient effects on ice melting.

Keywords:

• ice 1h
• potential
• melting
• molecular dynamics

Acknowledgements

This research was supported by the National Science Foundation (grant no. 0727007). High-performance computers were provided by Medical Imaging HPC and Informatics Laboratory of University of Iowa.