Large scale molecular dynamics simulation of nucleation in supercooled NaCl

Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki

研究成果: Article査読

29 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)11298-11305
ページ数8
ジャーナルJournal of Chemical Physics
119
21
DOI
出版ステータスPublished - 2003 12月 1

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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