Effect of contaminants on wettability properties of 2D materials
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| Author(s): |
Total Authors: 2
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| Affiliation: | [1] Univ Estadual Campinas, Dept Appl Phys, BR-13081970 Campinas, SP - Brazil
Total Affiliations: 1
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| Document type: | Journal article |
| Source: | MRS ADVANCES; v. 2, n. 29, p. 1551-1556, 2017. |
| Web of Science Citations: | 0 |
| Abstract | |
In this work we have investigated, by fully atomistic reactive (force field ReaxFF) molecular dynamics simulations, some aspects of impact dynamics of water nanodroplets on graphdiyne-like membranes. We simulated graphdiyne-supported membranes impacted by nanodroplets at different velocities (from 100 up to 1500 m/s). The results show that due to the graphdiyne porous and elastic structure, the droplets present an impact dynamics very complex in relation to the ones observed for graphene membranes. Under impact the droplets spread over the surface with a maximum contact radius proportional to the impact velocity. Depending on the energy impact value, a number of water molecules were able to percolate the nanopore sheets. However, even in these cases the droplet shape is preserved and the main differences between the different impact velocities cases reside on the splashing pattern at the maximum spreading. (AU) | |
| FAPESP's process: | 13/08293-7 - CCES - Center for Computational Engineering and Sciences |
| Grantee: | Munir Salomao Skaf |
| Support type: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |