About this Abstract |
Meeting |
TMS Specialty Congress 2024
|
Symposium
|
2nd World Congress on Artificial Intelligence in Materials & Manufacturing (AIM 2024)
|
Presentation Title |
Improved Methods to Predict the Mixing Enthalpy of Liquid Alloys for CALPHAD Databases With Artificial Neural Networks |
Author(s) |
Hai-Lin Chen, Qing Chen, Paul Mason |
On-Site Speaker (Planned) |
Paul Mason |
Abstract Scope |
When experimental data are unavailable, the semi-empirical Miedema model has historically been used during CALPHAD assessments to predict the mixing enthalpy of liquid alloys. The work described here aims to predict more accurately the mixing enthalpy using artificial neural networks (ANNs).
Leveraging ANNs and selecting elemental properties from the Magpie Python module, nine elemental properties significant to mixing enthalpy were identified, some of which overlap with the Miedema model's parameters. Using CALPHAD thermodynamic databases, the mixing enthalpy of 1073 binary systems were analyzed. Data reliability was gauged using assessment deviations, and 220 binaries were initially chosen for model optimization. Through iterative evaluations and enhancements, the optimal model encompassed data from 853 binary systems (80% of the total). The final ensemble, comprising 100 ANNs models, achieved an average R2 score of 0.96, proving superior in accuracy and generalizability to the Miedema model for predicting the mixing enthalpy of liquid alloys. |
Proceedings Inclusion? |
Definite: Other |