Effect of thermal fluctuations on the average shape of a graphene nanosheet suspended in a shear flow
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| Format: | Preprint |
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2024
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| _version_ | 1866910742790275072 |
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| author | Gravelle, Simon Kamal, Catherine Botto, Lorenzo |
| author_facet | Gravelle, Simon Kamal, Catherine Botto, Lorenzo |
| contents | Graphene nanosheets display large hydrodynamic slip lengths in most solvents, and because of this, adopt a stable orientation in a shear flow instead of rotating when thermal fluctuations are negligible [Kamal et al., Nature Comm., 11.1,2020]. In this paper, we combine molecular dynamics simulations and boundary integral simulations to demonstrate that the time-averaged 'S' shape adopted by a flexible graphene nanosheet subject to moderate thermal fluctuation is comparable to the shape predicted when neglecting thermal fluctuations. The stable 'S' shape adopted by the particle results primarily from the normal hydrodynamic traction, which is sensitive to the orientation of the particle with respect to the flow direction. Our results imply that thermally-induced shape fluctuations have a relatively minor effect on the time-averaged rheology of dilute suspensions of graphene nanosheets for relatively large but finite Péclet numbers. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2412_09139 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Effect of thermal fluctuations on the average shape of a graphene nanosheet suspended in a shear flow Gravelle, Simon Kamal, Catherine Botto, Lorenzo Computational Physics Soft Condensed Matter Graphene nanosheets display large hydrodynamic slip lengths in most solvents, and because of this, adopt a stable orientation in a shear flow instead of rotating when thermal fluctuations are negligible [Kamal et al., Nature Comm., 11.1,2020]. In this paper, we combine molecular dynamics simulations and boundary integral simulations to demonstrate that the time-averaged 'S' shape adopted by a flexible graphene nanosheet subject to moderate thermal fluctuation is comparable to the shape predicted when neglecting thermal fluctuations. The stable 'S' shape adopted by the particle results primarily from the normal hydrodynamic traction, which is sensitive to the orientation of the particle with respect to the flow direction. Our results imply that thermally-induced shape fluctuations have a relatively minor effect on the time-averaged rheology of dilute suspensions of graphene nanosheets for relatively large but finite Péclet numbers. |
| title | Effect of thermal fluctuations on the average shape of a graphene nanosheet suspended in a shear flow |
| topic | Computational Physics Soft Condensed Matter |
| url | https://arxiv.org/abs/2412.09139 |