期刊
MOLECULAR SIMULATION
卷 36, 期 11, 页码 823-830出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927021003774287
关键词
ice 1h; potential; melting; molecular dynamics
资金
- National Science Foundation [0727007]
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.
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