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Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane (PDMS)

Author(s)
Luo, Tengfei; Esfarjani, Keivan; Shiomi, Junichiro; Henry, Asegun; Chen, Gang
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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.
Date issued
2011-04
URI
http://hdl.handle.net/1721.1/78258
Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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
ISSN
0021-8979
1089-7550

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