|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Protein Dynamics under Nanoconfinement and Its Contribution to the Toughness of Nacre
||Arvand Navabi, Nima Rahbar
|On-Site Speaker (Planned)
Nature has meticulously structured nacre, a bio-ceramic composite, in a way that exhibits significant mechanical toughness. The toughness of nacre inherits its bulk properties from structural mechanisms, interface and chemical interactions in multiple scales. The required work to fracture nacre is three orders of magnitude more than that of the pure bio-ceramic present in the system. Herein, topological constrains and organic-mineral interactions are investigated in order to obtain a better understanding of the nano-scale mechanicanochemical behaviors of nacre that contribute to the exceptional macroscale toughness. By employing a molecular dynamics approach to the conformation, we find system-size dependence of shear viscosity and role of solvent in the dynamics of the organic matrix. This approach leads to a deeper understanding of the ability of some tough biomaterials to undergo large deformations and therefore local energy dissipation prior to cracking.
||Planned: Supplemental Proceedings volume