About this Abstract |
Meeting |
TMS Specialty Congress 2025
|
Symposium
|
3rd World Congress on Artificial Intelligence in Materials & Manufacturing (AIM 2025)
|
Presentation Title |
Machine Learning-Based Prediction of Diffusion Coefficients in Alloys |
Author(s) |
Yanqing Su, Arjun S. Kulathuvayal, Yi Rao |
On-Site Speaker (Planned) |
Yanqing Su |
Abstract Scope |
Diffusion plays a critical role in determining the microstructure and mechanical properties of alloys. Experimental determination of diffusion coefficients can be time-consuming and resource-intensive. Here, we present a comprehensive machine learning (ML) framework designed to predict diffusion coefficients across various diffusion modes in multi-component alloys (MCA) and impure metallic (IM) systems. Five ML models are respectively developed to estimate self, impurity, and chemical diffusion in MCA media, as well as self and impurity diffusion in IM media. The models are trained using statistical features derived from atomic descriptors of both the diffusing elements and the diffusion media, alongside temperature. This work highlights the potential of ML to enhance the prediction of diffusion properties in complex alloy systems, offering a powerful tool for alloy design and optimization. By significantly improving the efficiency of diffusion coefficient prediction, this approach provides a promising complement to experiments, accelerating material development for various engineering applications. |
Proceedings Inclusion? |
Undecided |