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β-LiAlSiO4結晶の温度変化シミュレーション
http://hdl.handle.net/10258/00010514
http://hdl.handle.net/10258/000105149cdbdb29-0ee2-4320-9314-1a197a7ed6a8
名前 / ファイル | ライセンス | アクション |
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JCCJ_19_4_146 (1.7 MB)
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Item type | 学術雑誌論文 / Journal Article.(1) | |||||||||||
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公開日 | 2022-03-29 | |||||||||||
タイトル | ||||||||||||
言語 | ja | |||||||||||
タイトル | β-LiAlSiO4結晶の温度変化シミュレーション | |||||||||||
言語 | ||||||||||||
言語 | jpn | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Molecular dynamics | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Beta-eucryptite | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Thermal expansion | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Bonding angle distribution | |||||||||||
資源タイプ | ||||||||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||
資源タイプ | journal article | |||||||||||
アクセス権 | ||||||||||||
アクセス権 | open access | |||||||||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||||
著者 |
藤田, 和希
× 藤田, 和希× 澤口, 直哉
WEKO
59460
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抄録 | ||||||||||||
内容記述タイプ | Abstract | |||||||||||
内容記述 | Anisotropic low-thermal expansion of β-LiAlSiO4 crystal was reproduced by MD calculation applying a potential model of a spherically symmetric two-body interatomic interaction. From the correlation between the Si-O-Al angle and the Si-Al distance in the c-axis direction, the expansion of a-axis and the contract of c-axis brings the split of Si-O-Al angle distribution. At the same time, the stable position of Li+ ion sites also changed. This suggests the cation position also important in the mechanism of low-thermal expansion observed in silicate materials. | |||||||||||
言語 | en | |||||||||||
書誌情報 |
en : Journal of Computer Chemistry, Japan 巻 19, 号 4, p. 146-148, 発行日 2020 |
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出版者 | ||||||||||||
言語 | ja | |||||||||||
出版者 | 日本コンピュータ化学会 | |||||||||||
出版者版へのリンク | ||||||||||||
10.2477/jccj.2021-0012 | ||||||||||||
https://doi.org/10.2477/jccj.2021-0012 | ||||||||||||
DOI | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | DOI | |||||||||||
関連識別子 | 10.2477/jccj.2021-0012 | |||||||||||
日本十進分類法 | ||||||||||||
主題Scheme | NDC | |||||||||||
主題 | 459 | |||||||||||
ISSN | ||||||||||||
収録物識別子タイプ | PISSN | |||||||||||
収録物識別子 | 1347-1767 | |||||||||||
著者版フラグ | ||||||||||||
出版タイプ | VoR | |||||||||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||
フォーマット | ||||||||||||
内容記述タイプ | Other | |||||||||||
内容記述 | application/pdf |