Large scale molecular dynamics simulation of nucleation in supercooled NaCl

Takahiro Koishi; Kenji Yasuoka; Toshikazu Ebisuzaki

doi:10.1063/1.1622371

Large scale molecular dynamics simulation of nucleation in supercooled NaCl

Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki

機械工学科

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
巻	119
号	21
DOI	https://doi.org/10.1063/1.1622371
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

文献へのアクセス

10.1063/1.1622371

他のファイルとリンク

引用スタイル

@article{222ba003810a4ddb9c54cbdba4583589,

title = "Large scale molecular dynamics simulation of nucleation in supercooled NaCl",

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.",

author = "Takahiro Koishi and Kenji Yasuoka and Toshikazu Ebisuzaki",

year = "2003",

month = dec,

day = "1",

doi = "10.1063/1.1622371",

language = "English",

volume = "119",

pages = "11298--11305",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "21",

}

TY - JOUR

T1 - Large scale molecular dynamics simulation of nucleation in supercooled NaCl

AU - Koishi, Takahiro

AU - Yasuoka, Kenji

AU - Ebisuzaki, Toshikazu

PY - 2003/12/1

Y1 - 2003/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0348252431&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0348252431&partnerID=8YFLogxK

U2 - 10.1063/1.1622371

DO - 10.1063/1.1622371

M3 - Article

AN - SCOPUS:0348252431

VL - 119

SP - 11298

EP - 11305

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 21

ER -

Large scale molecular dynamics simulation of nucleation in supercooled NaCl

抄録

ASJC Scopus subject areas

文献へのアクセス

他のファイルとリンク

フィンガープリント

引用スタイル