Quenching molecular dynamic (MD) simulation in a large NaCl system was carried out to estimate the critical nucleus size directly without using the nucleus theory. The special purpose computer MDGRAPE-2 was used for the large scale MD simulation. The free boundary condition and periodic boundary condition were used to compare the effect of the difference in boundary conditions. The temperatures after quenching were 740 K and 640 K. Solid ions were distinguished from liquid ions by using the Voronoi analysis.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry