分子動力学法によるシリコン結晶のモード依存フォノン輸送解析

• 堀 琢磨

  東京大学大学院工学系研究科

• 志賀 拓麿

  東京大学大学院工学系研究科

• 丸山 茂夫

  東京大学大学院工学系研究科

• 塩見 淳一郎

  東京大学大学院工学系研究科

書誌事項

タイトル別名

• Mode-Dependent Phonon Transport Analysis of Silicon Crystal by Molecular Dynamics Method

抄録

In this work, we have investigated phonon transport in silicon crystal using molecular dynamics and lattice dynamics methods. The phonon relaxation time is derived from molecular phase space trajectories through two different analysis methods using normal mode projection and spectral energy density. By performing the calculations for wavevectors spanning the entire first Brillouin zone, we find that these two relaxation-time calculation methods give almost the same results despite the fundamental difference in the underlying theories. With the obtained phonon relaxation time and group velocity calculated by lattice dynamics method, we have quantified the contribution from each phonon mode to the overall thermal conductivity. In addition, by calculating the cumulative thermal conductivity, we have quantified contributions to thermal conductivity from phonons with different mean free paths to gain insight into the scale effect of heat conduction in nanoscale.

収録刊行物

• 日本機械学会論文集Ｂ編

  日本機械学会論文集Ｂ編 78 (786), 328-337, 2012

  一般社団法人 日本機械学会

キーワード

• Thermal Conductivity
• Silicon
• Molecular Dynamics
• Lattice Dynamics
• Phonon
• Relaxation Time

詳細情報

• CRID: 1390001206262927360
• NII論文ID: 130002050660
• DOI: 10.1299/kikaib.78.328
• ISSN: 18848346
• ISSN: 03875016
• Web Site: http://www.jstage.jst.go.jp/article/kikaib/78/786/78_786_328/_pdf
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