About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
|
Algorithm Development in Materials Science and Engineering
|
Presentation Title |
Multi-scale Modeling of Hierarchical Microstructure in Ceramic Composites |
Author(s) |
Matthew Guziewski, David Montes de Oca Zapiain, Jennifer Synowczynski-Dunn, Remi Dingreville, Shawn Coleman |
On-Site Speaker (Planned) |
Matthew Guziewski |
Abstract Scope |
Microstructural features are known to influence the mechanical response of multiphase ceramic composites. To elucidate their contributions, a multi-scale modeling effort utilizing atomistic and mesoscale simulations has been developed. Using observed orientations within experimental samples, high-throughput atomistic models investigate the distribution of grain boundary structures and energetics through a Monte Carlo approach to grain boundary optimization, considering both the ground and metastable states of these interfaces. Then, utilizing machine learning techniques in conjunction with strategic sampling, models are produced to capture the variance of relevant properties, such as strength, fracture energy, and mobility, within the microstructure. These models are used to parameterize phase field models, allowing for the study of the influence of various granular distributions on the microstructural evolution and macroscale response of the material. This multi-scale approach has the potential to shorten the material design loop and improve performance through the prediction of favorable microstructures and processing methods. |
Proceedings Inclusion? |
Planned: |