Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification
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 gro...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | en_US |
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Nature Publishing Group
2017
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| Online Access: | http://hdl.handle.net/1721.1/109782 https://orcid.org/0000-0001-8051-5378 |
| _version_ | 1826208515565289472 |
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| author | Liao, Quanwen Zeng, Lingping Liu, Zhichun Liu, Wei |
| author2 | Massachusetts Institute of Technology. Materials Processing Center |
| author_facet | Massachusetts Institute of Technology. Materials Processing Center Liao, Quanwen Zeng, Lingping Liu, Zhichun Liu, Wei |
| author_sort | Liao, Quanwen |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T14:06:34Z |
| format | Article |
| id | mit-1721.1/109782 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T14:06:34Z |
| publishDate | 2017 |
| publisher | Nature Publishing Group |
| record_format | dspace |
| spelling | mit-1721.1/1097822022-10-01T19:16:47Z Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification Liao, Quanwen Zeng, Lingping Liu, Zhichun Liu, Wei Massachusetts Institute of Technology. Materials Processing Center Massachusetts Institute of Technology. Department of Mechanical Engineering Zeng, Lingping Liu, Zhichun 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. National Science Council (China) (51376069) National Key Basic Research Program of China (2013CB228302) 2017-06-12T12:53:44Z 2017-06-12T12:53:44Z 2016-10 2016-07 Article http://purl.org/eprint/type/JournalArticle 2045-2322 http://hdl.handle.net/1721.1/109782 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). https://orcid.org/0000-0001-8051-5378 en_US http://dx.doi.org/10.1038/srep34999 Scientific Reports Creative Commons Attribution 4.0 International License http://creativecommons.org/licenses/by/4.0/ application/pdf Nature Publishing Group Nature |
| spellingShingle | Liao, Quanwen Zeng, Lingping Liu, Zhichun Liu, Wei Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title | Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title_full | Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title_fullStr | Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title_full_unstemmed | Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title_short | Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification |
| title_sort | tailoring thermal conductivity of single stranded carbon chain polymers through atomic mass modification |
| url | http://hdl.handle.net/1721.1/109782 https://orcid.org/0000-0001-8051-5378 |
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