[S3] S3 Materials DX for the research and development of structural materials for extreme environment(IV)

10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[S3.3] Data-Driven Analysis of Nanoclustering in Fe–X–N Alloys Using First-Principles Calculations and Machine Learning

○Tokuteru Uesugi¹ (1. Osaka Metro. Univ.)

Keywords:

Nanoclustering,First-Principles Calculations,Machine Learning,Nitrided Steel,Materials DX

A data-driven analysis of nanoclustering in Fe–X–N alloys (X = Al, Si, P, S, Ti, V, Cr, Mn, Co, Ni, Cu, Zr, Nb, Mo, and W) was performed by integrating first-principles calculations with machine learning. Training data reduction and SHAP analysis revealed the underlying mechanisms of alloying-element-dependent nanocluster formation.