ID | 19674 |
JaLCDOI | |
Sort Key | 10
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フルテキストURL | |
著者 |
東辻 浩夫
Department of Electrical and Electronic Engineering
東辻 千枝子
Department of Electrical and Electronic Engineering
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抄録 | A parallel tight-binding molecular dynamics with an order-N [O(N))] algorithm is implemented to perform large-scale simulation of nanostructured materials. The algorithm is based on the Fermi-operator expansion of an electronic energy and force, and we present its basic formalisms. Accuracy necessary for molecular-dynamics simulations can be obtained by a proper truncation in the expansion. Parallel efficiency on a parallel PC cluster shows nearly ideal scaling behavior with respect to the number of processors. Applicability of the method to a silicon-carbide system is examined.
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出版物タイトル |
Memoirs of the Faculty of Engineering, Okayama University
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発行日 | 1999-04-27
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巻 | 33巻
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号 | 2号
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出版者 | Faculty of Engineering, Okayama University
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出版者(別表記) | 岡山大学工学部
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開始ページ | 71
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終了ページ | 77
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ISSN | 0475-0071
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NCID | AA10699856
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資料タイプ |
紀要論文
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OAI-PMH Set |
岡山大学
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言語 |
英語
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論文のバージョン | publisher
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NAID | |
Eprints Journal Name | mfe
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