About this Abstract |
| Meeting |
MS&T25: Materials Science & Technology
|
| Symposium
|
2025 Undergraduate Student Poster Contest
|
| Presentation Title |
SPU-39: Tools for Modeling the Self-Assembly of DNA-Coated Pentatwinned Nanorods |
| Author(s) |
Timothy C Moore, Joseph R. Burkhart, Mia Frank, Sharon C. Glotzer |
| On-Site Speaker (Planned) |
Mia Frank |
| Abstract Scope |
Quasicrystals (QC), known for their aperiodic translational symmetry, are an area of significant scientific interest. However, their formation mechanisms remain unclear, making it difficult to design and predict QC formation. Colloidal nanocrystals offer a powerful means to study quasicrystallization, as their programmability endows them with a vast design space compared to the relatively rigid bounds of atomic and molecular systems. In this project, we used molecular dynamics simulations to study the self-assembly of pentatwinned nanorods (PNR) functionalized with DNA linkers to drive their self-assembly. Simulations spanning a wide range of DNA linker lengths and nanorod widths reveal a rich structural diversity, including both crystalline and quasicrystalline phases. This poster focuses on the analysis and characterization of the self-assembled structures and the software tools developed for this task. These tools allowed for the quick identification of QC structures and, importantly, distinguished between QC and structurally similar but crystalline phases. |