Large scale molecular dynamics simulation of nucleation in supercooled NaCl

Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki

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26 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)11298-11305
Number of pages8
JournalJournal of Chemical Physics
Volume119
Issue number21
DOIs
Publication statusPublished - 2003 Dec 1

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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