Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS)
Heat transfer across thermal interface materials is a critical issue for microelectronics thermal management. Polydimethylsiloxane (PDMS), one of the most important components of thermal interface materials presents a large barrier for heat flow due to its low thermal conductivity. In this paper, we...
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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American Institute of Physics (AIP)
2013
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| Online Access: | http://hdl.handle.net/1721.1/78258 https://orcid.org/0000-0002-3968-8530 |
| _version_ | 1826211550027841536 |
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| author | Luo, Tengfei Esfarjani, Keivan Shiomi, Junichiro Henry, Asegun Chen, Gang |
| author2 | Massachusetts Institute of Technology. Department of Mechanical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Mechanical Engineering Luo, Tengfei Esfarjani, Keivan Shiomi, Junichiro Henry, Asegun Chen, Gang |
| author_sort | Luo, Tengfei |
| collection | MIT |
| description | Heat transfer across thermal interface materials is a critical issue for microelectronics thermal management. Polydimethylsiloxane (PDMS), one of the most important components of thermal interface materials presents a large barrier for heat flow due to its low thermal conductivity. In this paper, we use molecular dynamics simulations to identify the upper limit of the PDMS thermal conductivity by studying thermal transport in single PDMS chains with different lengths. We found that even individual molecular chains had low thermal conductivities (κ ∼ 7 W/mK), which is attributed to the chain segment disordering. Studies on double chain and crystalline structures reveal that the structure influences thermal transport due to inter-chain phonon scatterings and suppression of acoustic phonon modes. We also simulated amorphous bulk PDMS to identify the lower bound of PDMS thermal conductivity and found the low thermal conductivity (κ ∼ 0.2 W/mK) is mainly due to the inefficient transport mechanism through extended vibration modes. |
| first_indexed | 2024-09-23T15:07:46Z |
| format | Article |
| id | mit-1721.1/78258 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T15:07:46Z |
| publishDate | 2013 |
| publisher | American Institute of Physics (AIP) |
| record_format | dspace |
| spelling | mit-1721.1/782582022-10-02T00:44:54Z Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) Luo, Tengfei Esfarjani, Keivan Shiomi, Junichiro Henry, Asegun Chen, Gang Massachusetts Institute of Technology. Department of Mechanical Engineering Luo, Tengfei Esfarjani, Keivan Shiomi, Junichiro Henry, Asegun Chen, Gang Heat transfer across thermal interface materials is a critical issue for microelectronics thermal management. Polydimethylsiloxane (PDMS), one of the most important components of thermal interface materials presents a large barrier for heat flow due to its low thermal conductivity. In this paper, we use molecular dynamics simulations to identify the upper limit of the PDMS thermal conductivity by studying thermal transport in single PDMS chains with different lengths. We found that even individual molecular chains had low thermal conductivities (κ ∼ 7 W/mK), which is attributed to the chain segment disordering. Studies on double chain and crystalline structures reveal that the structure influences thermal transport due to inter-chain phonon scatterings and suppression of acoustic phonon modes. We also simulated amorphous bulk PDMS to identify the lower bound of PDMS thermal conductivity and found the low thermal conductivity (κ ∼ 0.2 W/mK) is mainly due to the inefficient transport mechanism through extended vibration modes. National Science Foundation (U.S.) (Grant CBET-0755825) 2013-04-02T18:22:41Z 2013-04-02T18:22:41Z 2011-04 2010-11 Article http://purl.org/eprint/type/JournalArticle 0021-8979 1089-7550 http://hdl.handle.net/1721.1/78258 Luo, Tengfei et al. “Molecular Dynamics Simulation of Thermal Energy Transport in Polydimethylsiloxane.” Journal of Applied Physics 109.7 (2011): 074321. © 2011 American Institute of Physics https://orcid.org/0000-0002-3968-8530 en_US http://dx.doi.org/10.1063/1.3569862 Journal of Applied Physics Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Institute of Physics (AIP) MIT web domain |
| spellingShingle | Luo, Tengfei Esfarjani, Keivan Shiomi, Junichiro Henry, Asegun Chen, Gang Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title | Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title_full | Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title_fullStr | Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title_full_unstemmed | Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title_short | Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS) |
| title_sort | molecular dynamics simulation of thermal energy transport in polydimethylsiloxane pdms |
| url | http://hdl.handle.net/1721.1/78258 https://orcid.org/0000-0002-3968-8530 |
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