Molecular-dynamics analysis of the structural properties of silica during cooling

Byoung Min Lee, Shinji Munetoh, Teruaki Motooka, Yeo Wan Yun, Kyu Mann Lee

研究成果: 著書/レポートタイプへの貢献会議での発言

2 引用 (Scopus)

抄録

The structural properties of SiO2 liquid during cooling have been investigated by molecular dynamics simulations. The interatomic forces acting on the particles are calculated by the modified Tersoff potential parameters. The glass transition temperature and structural properties of the resulting SiO2 system at various temperatures have been investigated. The fivefold coordinations of Si and threefold coordinations of O atoms were observed, and the coordination defects of system decrease with decreasing temperature up to 17% at 300 K. The self-diffusion coefficients for Si and O atoms drop to almost zero below 3000 K. The structures were distorted at high temperatures, but very stable atomic network persisted up to high temperature in the liquid state.

元の言語英語
ホスト出版物のタイトルTheory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior
編集者Graeme E. Murch, Frederic Soisson, Veena Tikare, Jeung Ku Kang
出版者Trans Tech Publications Ltd
ページ101-106
ページ数6
ISBN(印刷物)9783908451563
DOI
出版物ステータス出版済み - 1 1 2008
イベントSymposium on Theory, Modeling and Numerical Simulation of Multiphysics Behavior, 2007 - Boston, 米国
継続期間: 11 26 200711 30 2007

出版物シリーズ

名前Solid State Phenomena
139
ISSN(電子版)1662-9779

その他

その他Symposium on Theory, Modeling and Numerical Simulation of Multiphysics Behavior, 2007
米国
Boston
期間11/26/0711/30/07

Fingerprint

Silicon Dioxide
Dynamic analysis
Molecular dynamics
Structural properties
Silica
molecular dynamics
silicon dioxide
Cooling
cooling
interatomic forces
liquid cooling
Atoms
Temperature
glass transition temperature
atoms
Liquids
diffusion coefficient
temperature
defects
liquids

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)
  • Condensed Matter Physics

これを引用

Lee, B. M., Munetoh, S., Motooka, T., Yun, Y. W., & Lee, K. M. (2008). Molecular-dynamics analysis of the structural properties of silica during cooling. : G. E. Murch, F. Soisson, V. Tikare, & J. K. Kang (版), Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior (pp. 101-106). (Solid State Phenomena; 巻数 139). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/SSP.139.101

Molecular-dynamics analysis of the structural properties of silica during cooling. / Lee, Byoung Min; Munetoh, Shinji; Motooka, Teruaki; Yun, Yeo Wan; Lee, Kyu Mann.

Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior. 版 / Graeme E. Murch; Frederic Soisson; Veena Tikare; Jeung Ku Kang. Trans Tech Publications Ltd, 2008. p. 101-106 (Solid State Phenomena; 巻 139).

研究成果: 著書/レポートタイプへの貢献会議での発言

Lee, BM, Munetoh, S, Motooka, T, Yun, YW & Lee, KM 2008, Molecular-dynamics analysis of the structural properties of silica during cooling. : GE Murch, F Soisson, V Tikare & JK Kang (版), Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior. Solid State Phenomena, 巻. 139, Trans Tech Publications Ltd, pp. 101-106, Symposium on Theory, Modeling and Numerical Simulation of Multiphysics Behavior, 2007, Boston, 米国, 11/26/07. https://doi.org/10.4028/www.scientific.net/SSP.139.101
Lee BM, Munetoh S, Motooka T, Yun YW, Lee KM. Molecular-dynamics analysis of the structural properties of silica during cooling. : Murch GE, Soisson F, Tikare V, Kang JK, 編集者, Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior. Trans Tech Publications Ltd. 2008. p. 101-106. (Solid State Phenomena). https://doi.org/10.4028/www.scientific.net/SSP.139.101
Lee, Byoung Min ; Munetoh, Shinji ; Motooka, Teruaki ; Yun, Yeo Wan ; Lee, Kyu Mann. / Molecular-dynamics analysis of the structural properties of silica during cooling. Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior. 編集者 / Graeme E. Murch ; Frederic Soisson ; Veena Tikare ; Jeung Ku Kang. Trans Tech Publications Ltd, 2008. pp. 101-106 (Solid State Phenomena).
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