Molecular dynamics simulation of three-dimensional heterogeneous nucleation

Donguk Suh, Kenji Yasuoka

研究成果: Conference contribution

1 被引用数 (Scopus)

抄録

Nanoparticle growth based on three-dimensional heterogeneous nucleation was simulated by classical molecular dynamics. To collectively observe the effects of the dimension of seeds and thermodynamic conditions, seed size and system supersaturation ratio were the factors that were examined to see if they influenced the nucleation rates. Two stages were found to exist within the system, where the first stage is from the seed growth and the second from homogeneous nucleation. The Yasuoka-Matsumoto method was used to calculate the rates. The homogeneous nucleation characteristics coincided with the classical nucleation theory, but heterogeneous nucleation showed an irregular form, which at the current state cannot not be fully understood. Kinetic analysis was also performed to calculate the critical nucleus size and better understand the seed growth characteristics. All in all, the seed effects were insignificant to the overall nucleation characteristics for this system.

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
出版社American Society of Mechanical Engineers
ISBN(印刷版)9780791838921
DOI
出版ステータスPublished - 2011
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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