Two-stage assembly of patchy ellipses: From bent-core particlesto liquid crystal analogs
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arXiv
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| Format: | Preprint |
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2024
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| author | Singh, Anuj Kumar Bupathy, Arunkumar Thongam, Jenis Bianchi, Emanuela Kahl, Gerhard Banerjee, Varsha |
| author_facet | Singh, Anuj Kumar Bupathy, Arunkumar Thongam, Jenis Bianchi, Emanuela Kahl, Gerhard Banerjee, Varsha |
| contents | We investigate the two-dimensional behavior of colloidal patchy ellipsoids specifically designed to follow a two-step assembly process from the monomer state to mesoscopic liquid-crystal phases, via the formation of so-called bent-core units at the intermediate stage. Our model comprises a binary mixture of ellipses interacting via the Gay-Berne potential and decorated by surface patches, with the binary components being mirror-image variants of each other - referred to as left-handed and right-handed ellipses according to the position of their patches. The surface patches are designed so as in the first stage of the assembly the monomers form bent-cores units, i.e. V-shaped dimers with a specific bent angle. The Gay-Berne interactions, which act between the ellipses, drive the dimers to subsequently form the characteristic phase observed in bent-core liquid crystals. We numerically investigate -- by means of both Molecular Dynamics and Monte Carlo simulations -- the described two-step process: we first optimize a target bent-core unit and we then fully characterize its state diagram in temperature and density, defining the regions where the different liquid crystalline phases dominate. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_21171 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Two-stage assembly of patchy ellipses: From bent-core particlesto liquid crystal analogs Singh, Anuj Kumar Bupathy, Arunkumar Thongam, Jenis Bianchi, Emanuela Kahl, Gerhard Banerjee, Varsha Soft Condensed Matter Computational Physics We investigate the two-dimensional behavior of colloidal patchy ellipsoids specifically designed to follow a two-step assembly process from the monomer state to mesoscopic liquid-crystal phases, via the formation of so-called bent-core units at the intermediate stage. Our model comprises a binary mixture of ellipses interacting via the Gay-Berne potential and decorated by surface patches, with the binary components being mirror-image variants of each other - referred to as left-handed and right-handed ellipses according to the position of their patches. The surface patches are designed so as in the first stage of the assembly the monomers form bent-cores units, i.e. V-shaped dimers with a specific bent angle. The Gay-Berne interactions, which act between the ellipses, drive the dimers to subsequently form the characteristic phase observed in bent-core liquid crystals. We numerically investigate -- by means of both Molecular Dynamics and Monte Carlo simulations -- the described two-step process: we first optimize a target bent-core unit and we then fully characterize its state diagram in temperature and density, defining the regions where the different liquid crystalline phases dominate. |
| title | Two-stage assembly of patchy ellipses: From bent-core particlesto liquid crystal analogs |
| topic | Soft Condensed Matter Computational Physics |
| url | https://arxiv.org/abs/2407.21171 |