Physical Properties of Silicon Estimated by Molecular Dynamics Under a Condition of Constant Temperature and Pressure
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- Kakimoto Koichi
- Institute of Advanced Material Study Kyushu University
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- Suenaga Hidetoshi
- Mitsubishi Electric Corporation
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- Ozoe Hiroyuki
- Institute of Advanced Material Study Kyushu University
Bibliographic Information
- Other Title
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- 等温等圧下におけるシリコンの物性のシミュレーション
- トウオン トウ アツカ ニ オケル シリコン ノ ブッセイ ノ シミュレーショ
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Abstract
Molecular dynamics simulation was carried out to estimate volume expansion coefficients and compressibility of solid and liquid silicon. The numerical simulation employed constant temperature and pressure algorithms based on Andersen's method. Stillinger-Weber potential was used as a model potential. Calculated result shows no anomaly of density in the melt near the melting point. Estimated thermal-expansion coefficients of the solid and the melt are 1.4x10^<-5>K^<-1> and 0.4x10^<-4> K^<-1>, respectively. Calculated compressibility of the solid and the melt is almost identical to experimental data.
Journal
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- 九州大学機能物質科学研究所報告
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九州大学機能物質科学研究所報告 12 (1), 7-10, 1998-07-31
Institute of Advanced Material Study Kyushu University
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Details 詳細情報について
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- CRID
- 1390853649765663488
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- NII Article ID
- 110006177538
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- NII Book ID
- AN10060378
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- ISSN
- 09143793
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- DOI
- 10.15017/7887
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- HANDLE
- 2324/7887
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- NDL BIB ID
- 4544946
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- Text Lang
- ja
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- Data Source
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- JaLC
- IRDB
- NDL
- CiNii Articles
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- Abstract License Flag
- Allowed