1988 年 28 巻 10 号 p. 869-875
Molecular dynamics is used to study the homogeneous nucleation and growth processes for the sodium system of 864 atoms with constant volume. The equilibrium liquid at 381 K has been cooled directly to 181K. The processes have been monitored by studying mean-square displacement of atoms, potential energy, and pair-distribution functions. The supercooled liquid is found to crystallize into bcc structure. The number of atoms in the critical nucleus is at least greater than 43 atoms which is almost coincident with prediction from the classical nucleation theory. We have obtained the solid-liquid interfacial energies from the local pressures of each atom. The energies increase with increasing cluster size. The nucleus is found to advance at a rate of 187m s-1, which is extremely larger than the rate from the kinetic theory for growth.
