Multicanonical molecular dynamics simulation study of the liquid-solid and solid-solid transitions in Lennard-Jonse clusters

Toshihiro Kaneko, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng

研究成果: Conference contribution

抄録

Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ 31, LJ 58 and LJ 98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ 309, the predicted liquid- solid transition temperature is also in agreement with previous result.

本文言語English
ホスト出版物のタイトルASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
出版ステータスPublished - 2011 12 1
イベントASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011 - Honolulu, HI, United States
継続期間: 2011 3 132011 3 17

出版物シリーズ

名前ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011

Other

OtherASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
国/地域United States
CityHonolulu, HI
Period11/3/1311/3/17

ASJC Scopus subject areas

  • エネルギー工学および電力技術

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