The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics
Bio-inspired (biomimetic) materials, which are inspired by living organisms, offer exciting opportunities for the development of advanced functionalities. Among them, bio-inspired superhydrophobic surfaces have attracted considerable interest due to their potential applications in self-cleaning surf...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-09-01
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| Series: | Biomimetics |
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| Online Access: | https://www.mdpi.com/2313-7673/8/6/453 |
| _version_ | 1797574617256165376 |
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| author | Fan Meng Noriyoshi Arai |
| author_facet | Fan Meng Noriyoshi Arai |
| author_sort | Fan Meng |
| collection | DOAJ |
| description | Bio-inspired (biomimetic) materials, which are inspired by living organisms, offer exciting opportunities for the development of advanced functionalities. Among them, bio-inspired superhydrophobic surfaces have attracted considerable interest due to their potential applications in self-cleaning surfaces and reducing fluid resistance. Although the mechanism of superhydrophobicity is understood to be the free energy barrier between the Cassie and Wenzel states, the solid-surface technology to control the free energy barrier is still unclear. Therefore, previous studies have fabricated solid surfaces with desired properties through trial and error by measuring contact angles. In contrast, our study directly evaluates the free energy barrier using molecular simulations and attempts to relate it to solid-surface parameters. Through a series of simulations, we explore the behavior of water droplets on surfaces with varying values of surface pillar spacing and surface pillar height. The results show that the free energy barrier increases significantly as the pillar spacing decreases and/or as the pillar height increases. Our study goes beyond traditional approaches by exploring the relationship between free energy barriers, surface parameters, and hydrophobicity, providing a more direct and quantified method to evaluate surface hydrophobicity. This knowledge contributes significantly to material design by providing valuable insights into the relationship between surface parameters, free energy barriers, and hydrophilicity/hydrophobicity. |
| first_indexed | 2024-03-10T21:24:51Z |
| format | Article |
| id | doaj.art-d1abf7714d8947a9afdc0ce449b89d2c |
| institution | Directory Open Access Journal |
| issn | 2313-7673 |
| language | English |
| last_indexed | 2024-03-10T21:24:51Z |
| publishDate | 2023-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Biomimetics |
| spelling | doaj.art-d1abf7714d8947a9afdc0ce449b89d2c2023-11-19T15:48:22ZengMDPI AGBiomimetics2313-76732023-09-018645310.3390/biomimetics8060453The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular DynamicsFan Meng0Noriyoshi Arai1Department of Mechanical Engineering, Keio University, Yokohama 2238522, JapanDepartment of Mechanical Engineering, Keio University, Yokohama 2238522, JapanBio-inspired (biomimetic) materials, which are inspired by living organisms, offer exciting opportunities for the development of advanced functionalities. Among them, bio-inspired superhydrophobic surfaces have attracted considerable interest due to their potential applications in self-cleaning surfaces and reducing fluid resistance. Although the mechanism of superhydrophobicity is understood to be the free energy barrier between the Cassie and Wenzel states, the solid-surface technology to control the free energy barrier is still unclear. Therefore, previous studies have fabricated solid surfaces with desired properties through trial and error by measuring contact angles. In contrast, our study directly evaluates the free energy barrier using molecular simulations and attempts to relate it to solid-surface parameters. Through a series of simulations, we explore the behavior of water droplets on surfaces with varying values of surface pillar spacing and surface pillar height. The results show that the free energy barrier increases significantly as the pillar spacing decreases and/or as the pillar height increases. Our study goes beyond traditional approaches by exploring the relationship between free energy barriers, surface parameters, and hydrophobicity, providing a more direct and quantified method to evaluate surface hydrophobicity. This knowledge contributes significantly to material design by providing valuable insights into the relationship between surface parameters, free energy barriers, and hydrophilicity/hydrophobicity.https://www.mdpi.com/2313-7673/8/6/453bio-inspired materialswater dropletnanostructured solid surfacemany body dissipative particle dynamics |
| spellingShingle | Fan Meng Noriyoshi Arai The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics Biomimetics bio-inspired materials water droplet nanostructured solid surface many body dissipative particle dynamics |
| title | The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics |
| title_full | The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics |
| title_fullStr | The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics |
| title_full_unstemmed | The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics |
| title_short | The Relationship between Nanostructured Bio-Inspired Material Surfaces and the Free Energy Barrier Using Coarse-Grained Molecular Dynamics |
| title_sort | relationship between nanostructured bio inspired material surfaces and the free energy barrier using coarse grained molecular dynamics |
| topic | bio-inspired materials water droplet nanostructured solid surface many body dissipative particle dynamics |
| url | https://www.mdpi.com/2313-7673/8/6/453 |
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