| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Bridging Multi Scales for Predicting Structures and Properties in Solidification of Metals and Alloys |
| Author(s) |
Mohsen Asle Zaeem |
| On-Site Speaker (Planned) |
Mohsen Asle Zaeem |
| Abstract Scope |
High temperature processes of metals and alloys often involve solidification which controls the formation of defects and phases, and determines the overall nano/microstructures and properties of solidified products. Due to the multi length and time scale characteristics of solidification, we present a systematic multiscale modeling framework to study solidification. A procedure will be presented for developing accurate interatomic potentials capable of predicting high temperature properties and phases of several metals and alloys, including Al and Ti alloys. 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 heterogeneous nucleation and phase formation processes during rapid solidification of metals and alloys. Employing MD results, we present quantitative phase-field models to accurately predict the solidification microstructures. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |