A clear observation of crystal growth of ice from water in a molecular dynamics simulation with a six-site potential model of H2O
نویسندگان
چکیده
We demonstrate that a six-site potential model of H2O, which we proposed recently, is suitable for simulation works on the crystal growth of ice from water. Using the model, a molecular dynamics simulation of a system including interfaces between the prismatic face of the proton-disordered hexagonal ice and water is carried out at a supercooled state and a pressure of 1 atm. The results clearly indicate that the ice grows at the interfaces continuously during the simulation. Moreover, the growth kinetics at the interfaces is analyzed on a molecular scale. r 2004 Elsevier B.V. All rights reserved. PACS: 71.15.D; 81.10.A
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