| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Frontiers in Solidification Science VIII
|
| Presentation Title |
Bridging Multiscale Models for Predicting Nano and Microstructures in Rapid Solidification of Metals and Alloys |
| Author(s) |
Mohsen Asle Zaeem |
| On-Site Speaker (Planned) |
Mohsen Asle Zaeem |
| Abstract Scope |
A transferable multiscale modeling framework will be presented to quantitatively study rapid solidification in different metals and alloys accounting for the multi length and time scale characteristics of solidification. An algorithm for developing accurate interatomic potentials capable of predicting low and high temperature properties and phases of several metals and alloys will be presented. The interatomic potentials are developed based on the semi-empirical modified embedded atom method using low and high temperature data from electronic structure calculations and experiments. By utilizing large scale molecular dynamics (MD) simulations, the capabilities and transferability of these potentials are tested in study of the homogeneous and heterogeneous nucleation and phase formation processes during rapid solidification of different metals and alloys. Directly utilizing MD data, a quantitative phase-field modeling framework is developed to accurately predict the solidification microstructures and predict solute trapping and primary dendrite arm spacing in a wide range of solidification rates. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Solidification, Computational Materials Science & Engineering, |