Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification
Name
Tailoring thermal.pdf
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1.06 MB
Format
Adobe PDF
Checksum (MD5)
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Author(s)
Liao, Quanwen
Zeng, Lingping
Liu, Zhichun
Liu, Wei
Date Issued
October 2016
Journal
Scientific Reports
Publisher
Nature Publishing Group
Citation
Liao, Quanwen, Lingping Zeng, Zhichun Liu, and Wei Liu. “Tailoring Thermal Conductivity of Single-Stranded Carbon-Chain Polymers through Atomic Mass Modification.” Scientific Reports 6, no. 1 (October 7, 2016).
Version
Final published version
Abstract
Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents.
MIT Department
Massachusetts Institute of Technology. Materials Processing Center
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
Creative Commons Attribution 4.0 International License
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DOI of Published Version
https://doi.org/10.1038/srep34999
