Fig. 1: Datasets of structure models and filtration processes for persistent homology calculation.
From: Structural changes during glass formation extracted by computational homology with machine learning
Structure models of Pd80Si20 metallic glass prepared by molecular dynamics simulation for a linear regression analysis (LRA) and b principal component analysis (PCA). Filtration processes for calculating the persistence diagrams for c holes made at the centre of Pd clusters (configurations with Pd only) and d rings formed in the Si network (configurations with Si only).
