Fig. 5: Plastic strength estimates from first-principles predictor properties.
From: Cross-scale covariance for material property prediction
The plastic strength of seven metals was predicted using a multi-linear regression model trained on three predictors for which DFT data was computed ({111} surface energy, lattice constant, and vacancy migration energy, all for FCC). Strength predicted from the DFT predictor values is shown using a red time. Gray boxes show the first and third quartiles of flow strength values observed for each metal in large-scale MD simulations for the 153 IPs included in this study. Gray circles indicate flow strength simulation results that are outside of the first and third quartiles.
