Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS)
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Chen_Molecular dynamics.pdf
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2.12 MB
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Checksum (MD5)
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Author(s)
Luo, Tengfei
Esfarjani, Keivan
Shiomi, Junichiro
Henry, Asegun
Chen, Gang
Date Issued
April 2011
Journal
Journal of Applied Physics
Publisher
American Institute of Physics (AIP)
Citation
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
Version
Final published version
Abstract
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.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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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.
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DOI of Published Version
https://doi.org/10.1063/1.3569862
