Thermal transport behavior of polycrystalline graphene : a molecular dynamics study
The thermal transport behavior of polycrystalline graphene is studied using molecular dynamics simulations, with focus on the effects of grain size, tensile strain, and temperature on the thermal conductivity. All the simulation samples have the same overall dimensions of 30 × 30 nm with average gra...
| Main Authors: | , , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2014
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/103449 http://hdl.handle.net/10220/24515 |
| _version_ | 1826125214698700800 |
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| author | Wu, P. H. Quek, S. S. Sha, Z. D. Dong, Zhili Liu, X. J. Zhang, G. Pei, Q. X. Zhang, Y. W. |
| author2 | School of Materials Science & Engineering |
| author_facet | School of Materials Science & Engineering Wu, P. H. Quek, S. S. Sha, Z. D. Dong, Zhili Liu, X. J. Zhang, G. Pei, Q. X. Zhang, Y. W. |
| author_sort | Wu, P. H. |
| collection | NTU |
| description | The thermal transport behavior of polycrystalline graphene is studied using molecular dynamics simulations, with focus on the effects of grain size, tensile strain, and temperature on the thermal conductivity. All the simulation samples have the same overall dimensions of 30 × 30 nm with average grain sizes ranging from 2.5 to 12.5 nm. It is found that polycrystalline graphene exhibits a significant reduction in thermal conductivity compared to single-crystalline graphene, and the smaller the grain size is, the more the thermal conductivity drops. The thermal conductivity of polycrystalline graphene with average grain size of 2.5 nm is only about 20% of single-crystalline graphene. However, the thermal conductivity of polycrystalline graphene is less sensitive to both the applied strain and temperature than that of single-crystalline graphene. The underlying mechanisms for the differences in thermal behavior are examined and discussed. These findings are important for the thermal management of graphene-based devices. |
| first_indexed | 2024-10-01T06:33:03Z |
| format | Journal Article |
| id | ntu-10356/103449 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T06:33:03Z |
| publishDate | 2014 |
| record_format | dspace |
| spelling | ntu-10356/1034492023-07-14T15:55:40Z Thermal transport behavior of polycrystalline graphene : a molecular dynamics study Wu, P. H. Quek, S. S. Sha, Z. D. Dong, Zhili Liu, X. J. Zhang, G. Pei, Q. X. Zhang, Y. W. School of Materials Science & Engineering DRNTU::Science::Physics The thermal transport behavior of polycrystalline graphene is studied using molecular dynamics simulations, with focus on the effects of grain size, tensile strain, and temperature on the thermal conductivity. All the simulation samples have the same overall dimensions of 30 × 30 nm with average grain sizes ranging from 2.5 to 12.5 nm. It is found that polycrystalline graphene exhibits a significant reduction in thermal conductivity compared to single-crystalline graphene, and the smaller the grain size is, the more the thermal conductivity drops. The thermal conductivity of polycrystalline graphene with average grain size of 2.5 nm is only about 20% of single-crystalline graphene. However, the thermal conductivity of polycrystalline graphene is less sensitive to both the applied strain and temperature than that of single-crystalline graphene. The underlying mechanisms for the differences in thermal behavior are examined and discussed. These findings are important for the thermal management of graphene-based devices. Published version 2014-12-22T06:04:33Z 2019-12-06T21:12:55Z 2014-12-22T06:04:33Z 2019-12-06T21:12:55Z 2014 2014 Journal Article Wu, P. H., Quek, S. S., Sha, Z. D., Dong, Z. L., Liu, X. J., Zhang, G., et al. (2014). Thermal transport behavior of polycrystalline graphene : a molecular dynamics study. Journal of applied physics, 116(20). https://hdl.handle.net/10356/103449 http://hdl.handle.net/10220/24515 10.1063/1.4902852 en Journal of applied physics © 2014 AIP Publishing LLC. This paper was published in Journal of Applied Physics and is made available as an electronic reprint (preprint) with permission of AIP Publishing LLC. The paper can be found at the following official DOI: [http://dx.doi.org/10.1063/1.4902852]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law. 7 p. application/pdf |
| spellingShingle | DRNTU::Science::Physics Wu, P. H. Quek, S. S. Sha, Z. D. Dong, Zhili Liu, X. J. Zhang, G. Pei, Q. X. Zhang, Y. W. Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title | Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title_full | Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title_fullStr | Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title_full_unstemmed | Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title_short | Thermal transport behavior of polycrystalline graphene : a molecular dynamics study |
| title_sort | thermal transport behavior of polycrystalline graphene a molecular dynamics study |
| topic | DRNTU::Science::Physics |
| url | https://hdl.handle.net/10356/103449 http://hdl.handle.net/10220/24515 |
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