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ノルマルアルカンの遺伝的アルゴリズムシミュレーション
http://hdl.handle.net/10228/3618
http://hdl.handle.net/10228/3618e2cb1efc-600e-4ab7-a4a0-2c9fdb5c1344
名前 / ファイル | ライセンス | アクション |
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110005051442.pdf (568.3 kB)
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Item type | 学術雑誌論文 = Journal Article(1) | |||||||||||
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公開日 | 2010-01-15 | |||||||||||
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 | |||||||||||
タイトル | ||||||||||||
言語 | ja | |||||||||||
タイトル | ノルマルアルカンの遺伝的アルゴリズムシミュレーション | |||||||||||
言語 | ||||||||||||
言語 | jpn | |||||||||||
著者 |
宮崎, 康次
× 宮崎, 康次
WEKO
679
× 大城, 博行× 北原, 道隆× 塚本, 寛 |
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抄録 | ||||||||||||
内容記述タイプ | Abstract | |||||||||||
内容記述 | In this paper we demonstrated genetic algorithm simulations of n-alkanes as the simplest organic materials by using AMBER potential. The calculated structures of one molecule of n-alkanes were agreed with well-known structures. We also calculated the stable structures of crystallized n-alkanes to predict statically both the densities and the melting latent heats. Numerical simulations of crystallization are rather time consuming process, but the present simulation can calculate the stable structure of a crystallized material in short time. Densities were calculated directly from the stable structures, and those were agreed with reported values quanititatively. Melting latent heats were estimated from the energy of one molecule for rotating in the crystal. The melting latent heats were over-estimated by about 10 percent. Densities and melting latent heats were predicted only by using the present simple numerical simulations. | |||||||||||
書誌情報 |
日本機械学會論文集. B編 巻 71, 号 702, p. 596-601, 発行日 2005-02-25 |
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出版社 | ||||||||||||
出版者 | 社団法人日本機械学会 | |||||||||||
DOI | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | DOI | |||||||||||
関連識別子 | https://doi.org/10.1299/kikaib.71.596 | |||||||||||
論文ID(NAID) | ||||||||||||
関連タイプ | isIdenticalTo | |||||||||||
識別子タイプ | NAID | |||||||||||
関連識別子 | 110005051442 | |||||||||||
ISSN | ||||||||||||
収録物識別子タイプ | PISSN | |||||||||||
収録物識別子 | 0387-5016 | |||||||||||
著作権関連情報 | ||||||||||||
権利情報 | 社団法人日本機械学会. 本文データは学協会の許諾に基づきCiNiiから複製したものである | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Thermophysical Property | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Solidification | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Genetic Algorithm | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | n-alkane | |||||||||||
キーワード | ||||||||||||
主題Scheme | Other | |||||||||||
主題 | Molecular Simulation | |||||||||||
出版タイプ | ||||||||||||
出版タイプ | VoR | |||||||||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||
査読の有無 | ||||||||||||
値 | yes | |||||||||||
業績ID | ||||||||||||
5B90581A4654D723492576700021D423 | ||||||||||||
資料タイプ | ||||||||||||
内容記述タイプ | Other | |||||||||||
内容記述 | Journal Article | |||||||||||
著者所属 | ||||||||||||
九州工業大学生命体工学研究科 | ||||||||||||
著者所属 | ||||||||||||
九州工業大学大学院工学研究科 | ||||||||||||
著者所属 | ||||||||||||
九州工業大学大学院生命体工学研究科 | ||||||||||||
著者所属 | ||||||||||||
九州工業大学生命体工学研究科 |