Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon
Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2006.
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| Format: | Thesis |
| Language: | eng |
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Massachusetts Institute of Technology
2007
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| Online Access: | http://hdl.handle.net/1721.1/36233 |
| _version_ | 1826210020391387136 |
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| author | Henry, Asegun Sekou Famake |
| author2 | Gang Chen. |
| author_facet | Gang Chen. Henry, Asegun Sekou Famake |
| author_sort | Henry, Asegun Sekou Famake |
| collection | MIT |
| description | Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2006. |
| first_indexed | 2024-09-23T14:39:58Z |
| format | Thesis |
| id | mit-1721.1/36233 |
| institution | Massachusetts Institute of Technology |
| language | eng |
| last_indexed | 2024-09-23T14:39:58Z |
| publishDate | 2007 |
| publisher | Massachusetts Institute of Technology |
| record_format | dspace |
| spelling | mit-1721.1/362332019-04-12T14:37:34Z Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon Henry, Asegun Sekou Famake Gang Chen. Massachusetts Institute of Technology. Dept. of Mechanical Engineering. Massachusetts Institute of Technology. Dept. of Mechanical Engineering. Mechanical Engineering. Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2006. Includes bibliographical references (p. 91-95). Due to the technological significance of silicon, its heat conduction mechanisms have been studied extensively. However, there have been some lingering questions surrounding the phonon mean free path and importance of different polarizations. This research investigates phonon transport in bulk crystalline silicon using molecular dynamics and lattice dynamics. The interactions are modeled with the environment dependent interatomic potential (EDIP), which was designed to represent the bulk phases of silicon. Temperature and phonon frequency dependent relaxation times are extracted from the MD simulations and used to generate a detailed picture of phonon transport. It is found that longitudinal acoustic phonons have the highest contribution to thermal conductivity and that the phonon mean free path varies by orders of magnitude with respect to the phonon spectra. For relaxation times, we observe moderate anisotropy and good agreement with the frequency dependence predicted by scattering theories. We also find that phonons with mean free paths between .1 and 10 micron are responsible for 50% of the thermal conduction, while phonons with wavelengths less than 10 nanometers make up 80%. by Asegun Sekou Famake Henry. S.M. 2007-02-21T13:11:06Z 2007-02-21T13:11:06Z 2006 2006 Thesis http://hdl.handle.net/1721.1/36233 77063769 eng M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission. http://dspace.mit.edu/handle/1721.1/7582 95 p. application/pdf Massachusetts Institute of Technology |
| spellingShingle | Mechanical Engineering. Henry, Asegun Sekou Famake Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title | Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title_full | Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title_fullStr | Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title_full_unstemmed | Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title_short | Molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| title_sort | molecular dynamics analysis of spectral characteristics of phonon heat conduction in silicon |
| topic | Mechanical Engineering. |
| url | http://hdl.handle.net/1721.1/36233 |
| work_keys_str_mv | AT henryasegunsekoufamake moleculardynamicsanalysisofspectralcharacteristicsofphononheatconductioninsilicon |