| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bio-Nano Interfaces and Engineering Applications
|
| Presentation Title |
Effect of Ice Nucleation Proteins on the Structure-property Relationships of Ice: A Combined Simulation and Experimental Approach |
| Author(s) |
Ali K. Shargh, Christopher D. Stiles, K. Michael Salerno, Thomas Arbaugh, Jaafar A. El-Awady |
| On-Site Speaker (Planned) |
Ali K. Shargh |
| Abstract Scope |
Icesheets and glaciers that cover Greenland and Antarctica are vital resources for our planet. However, their increased melting due to global warming leads to critical problems. Recent studies revealed that a range of materials from ice nucleation proteins (INP) to minerals can promote ice crystallization. However, a systematic study to quantify the effect of INPs on the structure of the nucleated ice or its mechanical properties is lacking. We present a series of molecular dynamics simulations that investigate different boundary conditions on the ice growth in a water-INP mixture. We also explore the effect of INP length, width, genetic sequence, and concentration on the ice nucleation temperature and the resulting ice microstructure. We further discuss deformation mechanisms of the formed ice under creep loading. The simulations are compared to detailed experimental results for model validation. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Biomaterials, Modeling and Simulation, Nanotechnology |