| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Biological Materials Science
|
| Presentation Title |
Sequence and Process Design for Silk-Inspired Protein-Based Materials |
| Author(s) |
Sinan Keten |
| On-Site Speaker (Planned) |
Sinan Keten |
| Abstract Scope |
A major challenge in synthesizing strong and tough protein fibers based on spider silk motifs is understanding the coupling between protein sequence and the post-spin drawing process. This talk will discuss recent advances in machine-learning and molecular simulation based approaches to understanding sequence-structure-property relationships in these materials. First, I will present a novel process-agnostic machine learning framework that predicts mechanical properties of dragline silk fibers from sequence data alone, using molecular mobility as a physical descriptor that circumvents challenges in structural characterization. I will then elaborate on how drawing-induced elongational force impacts ordering, chain extension, interchain contacts, and molecular mobility through mesoscale simulations of silk-based fibers. These features are then used to predict a purely process-dependent mechanical property envelope in which order enhances fiber strength while preserving toughness as validated by experiments. Strategies for combining sequence and process effects in predictive models will be presented. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Biomaterials, Modeling and Simulation, |