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分子動力学シミュレーションを用いたナトリウムホウ酸塩ガラスにおけるホウ酸異常現象の考察
http://hdl.handle.net/10258/00009892
http://hdl.handle.net/10258/00009892a5ef2586-33ef-4d4c-9492-1ddabd805bc7
名前 / ファイル | ライセンス | アクション |
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JCCJ_17_3_113_116 (934.5 kB)
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Item type | 学術雑誌論文 / Journal Article.(1) | |||||||||||
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公開日 | 2019-06-13 | |||||||||||
タイトル | ||||||||||||
言語 | ja | |||||||||||
タイトル | 分子動力学シミュレーションを用いたナトリウムホウ酸塩ガラスにおけるホウ酸異常現象の考察 | |||||||||||
タイトル | ||||||||||||
言語 | en | |||||||||||
タイトル | Structure Unit in XNa2O-(1−x) B2O3 Glasses by Molecular Dynamics Simulation | |||||||||||
言語 | ||||||||||||
言語 | jpn | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Molecular dynamics simulatio | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Borate glasses | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Boron oxide anomaly | |||||||||||
キーワード | ||||||||||||
言語 | en | |||||||||||
主題Scheme | Other | |||||||||||
主題 | Oxide glasses | |||||||||||
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 |
山本, 優也
× 山本, 優也× 澤口, 直哉
WEKO
59460
× 佐々木, 眞 |
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室蘭工業大学研究者データベースへのリンク | ||||||||||||
澤口 直哉(SAWAGUCHI Naoya) | ||||||||||||
http://rdsoran.muroran-it.ac.jp/html/100000135_ja.html | ||||||||||||
抄録 | ||||||||||||
内容記述タイプ | Abstract | |||||||||||
内容記述 | We investigated the structural units of xNa2O-(1 − x) B2O3 glasses using molecular dynamics (MD) simulation with the interatomic potential provided by first-principles calculations. The results are consistent with experimental trends in interatomic distance, linear thermal expansion coefficient and BO4 units. The amount of 5- to 8-membered rings at x = 0.2 is larger than the other composition range. This suggests that the structural unit constructed by a few rings is related to suppression of thermal expansion. | |||||||||||
言語 | en | |||||||||||
書誌情報 |
en : Journal of Computer Chemistry, Japan 巻 17, 号 3, p. 113-116, 発行日 2018-10-06 |
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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.2018-0029 | ||||||||||||
https://doi.org/10.2477/jccj.2018-0029 | ||||||||||||
DOI | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | DOI | |||||||||||
関連識別子 | 10.2477/jccj.2018-0029 | |||||||||||
論文ID(NAID) | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | NAID | |||||||||||
関連識別子 | 130007496330 | |||||||||||
日本十進分類法 | ||||||||||||
主題Scheme | NDC | |||||||||||
主題 | 433 | |||||||||||
ISSN | ||||||||||||
収録物識別子タイプ | PISSN | |||||||||||
収録物識別子 | 1347-1767 | |||||||||||
書誌レコードID | ||||||||||||
収録物識別子タイプ | NCID | |||||||||||
収録物識別子 | AA11657986 | |||||||||||
権利 | ||||||||||||
言語 | ja | |||||||||||
権利情報 | © 2018 日本コンピュータ化学会 | |||||||||||
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 | |||||||||||
主となる版 | ||||||||||||
関連タイプ | isVersionOf | |||||||||||
識別子タイプ | URI | |||||||||||
関連識別子 | https://www.jstage.jst.go.jp/article/jccj/17/3/17_2018-0029/_pdf/-char/ja | |||||||||||
フォーマット | ||||||||||||
内容記述タイプ | Other | |||||||||||
内容記述 | application/pdf |