Thermal conductivity of bottle-brush polymers
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arXiv
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| Autores principales: | , , , |
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| Formato: | Preprint |
| Publicado: |
2023
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| _version_ | 1866916112961110016 |
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| author | Maurya, Manoj Kumar Laschuetza, Tobias Singh, Manjesh Kumar Mukherji, Debashish |
| author_facet | Maurya, Manoj Kumar Laschuetza, Tobias Singh, Manjesh Kumar Mukherji, Debashish |
| contents | Using molecular dynamics (MD) simulations of a generic model, we investigate heat propagation in bottle--brush polymers (BBP). An architecture is referred to as a BBP when a linear (backbone) polymer is grafted with the side chains of different length $N_{\rm s}$ and grafting density $ρ_{\rm g}$, which control the bending stiffness of a backbone. A BBP is of particular interest due to two competing mechanics: increased backbone stiffness, via $N_{\rm s}$ and $ρ_{\rm g}$, increases the thermal transport coefficient $κ$, while the presence of side chains provides additional pathways for heat leakage. We show how a delicate competition between these two effects controls $κ$. These results reveal that going from a weakly grafting ($ρ_{\rm g} < 1$) to a highly grafting ($ρ_{\rm g} \ge 1$) regime, $κ$ changes non--monotonically that is independent of $N_{\rm s}$. The effect of side chain mass on $κ$ and heat flow in the BBP melts are also discussed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2312_00635 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Thermal conductivity of bottle-brush polymers Maurya, Manoj Kumar Laschuetza, Tobias Singh, Manjesh Kumar Mukherji, Debashish Soft Condensed Matter Using molecular dynamics (MD) simulations of a generic model, we investigate heat propagation in bottle--brush polymers (BBP). An architecture is referred to as a BBP when a linear (backbone) polymer is grafted with the side chains of different length $N_{\rm s}$ and grafting density $ρ_{\rm g}$, which control the bending stiffness of a backbone. A BBP is of particular interest due to two competing mechanics: increased backbone stiffness, via $N_{\rm s}$ and $ρ_{\rm g}$, increases the thermal transport coefficient $κ$, while the presence of side chains provides additional pathways for heat leakage. We show how a delicate competition between these two effects controls $κ$. These results reveal that going from a weakly grafting ($ρ_{\rm g} < 1$) to a highly grafting ($ρ_{\rm g} \ge 1$) regime, $κ$ changes non--monotonically that is independent of $N_{\rm s}$. The effect of side chain mass on $κ$ and heat flow in the BBP melts are also discussed. |
| title | Thermal conductivity of bottle-brush polymers |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2312.00635 |