About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
H-2: Application of Multi-Cell Monte Carlo Method to BCC Refractory Alloys |
Author(s) |
Junxin Wang, Maryam Ghazisaeidi |
On-Site Speaker (Planned) |
Junxin Wang |
Abstract Scope |
We present the Multi-Cell Monte Carlo method for phase prediction for multicomponent alloys. This method is designed for simulating coexisting phases in many-component crystalline systems. A general introduction of the Multi-Cell Monte Carlo method as well as several successful applications are provided demonstrating its advantage over some common phase prediction methods and showing its strong ability when applied to multicomponent systems. Particularly, we apply the method to the BCC refractory alloys, exploring the thermodynamic stability in the composition space relevant to BCC “high entropy alloys”. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Modeling and Simulation |