RESEARCH ON NUCLEATION OF WATER FROM AN EMBRYO USING MD SIMULATION
Molecular Dynamics method was used to observe nucleation of water under a supercooling state.Seven kinds of initial clusters were set in a cell as initial conditions to imitate an embryo; the spherical clusters having a size with three kinds of radii,and hexagonal columns having with four kinds of radii and heights.So it becomes an ice water mixture having an embryo at the center of the cell.And then the behavior of crystal growth was observed.It was found that the biggest spherical cluster and the biggest hexagonal column among all clusters prepared resulted in solidification and the other clusters turned out to have melted.In addition,the possibility of the solidification process to be started from b-axial plane was pointed out.Furthermore the growth rate in c-axial direction of the hexagonal column was found to be faster than that of the spherical cluster.Therefore,there is a possibility that the critical cluster has a shape like a hexagonal column with the height almost equivalent to the radius of the hexagonal.Ice Ic was observed on the basal surface of Ice Ih.Authors proposed the possibility of existence of Ic on a basal surface which gave a behavior of slowing down the solidification speed in the direction normal to c-axis.
OKAWA S SENDAI S
Tokyo Institute of Technology,2-12-1-I6-2 Ookayama,Meguro-ku,Tokyo 152-8552,Japan Fujitsu,1-5-2 Higashi-Shimbashi,Minato-ku,Tokyo 105-7123,Japan
国际会议
西安
英文
1-8
2012-08-26（万方平台首次上网日期，不代表论文的发表时间）