書誌事項
- タイトル別名
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- Self-Diffusion Mechanisms of Atoms in Supercooled Liquid of Forsterite
- 公開日
- 2018
- DOI
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- 10.2477/jccj.2018-0055
- 公開者
- 日本コンピュータ化学会
この論文をさがす
説明
<p>To investigate the self-diffusion mechanisms of atoms in forsterite in supercooled liquid state, we performed molecular dynamics calculations. The results show that the atoms migrate with jumps from a stable site to an adjacent site. From analyses of the stress auto-correlation function (SACF) and mean square displacement (MSD), we determined the viscosity and self-diffusion coefficients. Furthermore, it was found that the jumping probabilities of Mg and Si, which are located at positions with high Si densities, are higher than the averaged probability, because of a structural distortion of surrounding SiO4 units with strong Si–O bonds. The mechanisms of self-diffusion are important to understand the phase transition dynamics of natural forsterite in proto-planetary disks and interstellar molecular clouds.</p>
収録刊行物
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 17 (5), 204-208, 2018
日本コンピュータ化学会
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詳細情報 詳細情報について
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- CRID
- 1390845713053289344
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- NII論文ID
- 130007601691
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- ISSN
- 13473824
- 13471767
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- OpenAIRE
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- 抄録ライセンスフラグ
- 使用不可
