Fig. 4: Comparing the simulated configurations of the 1 billion-atom FeCoNiAlTi with the experimental results. | npj Computational Materials

Fig. 4: Comparing the simulated configurations of the 1 billion-atom FeCoNiAlTi with the experimental results.

From: Revealing nanostructures in high-entropy alloys via machine-learning accelerated scalable Monte Carlo simulation

Fig. 4

a A histogram for all clusters of sizes larger than 100 atoms. Five clusters of different sizes are selected and shown as vertical dashed lines. b The chemical concentrations of the matrix (cluster_0) and cluster_1, as well as the rest clusters. c–f Snapshots of the [001] face of NiCoFeAlTi at T = 1000 K, with c as the enlarged upper-right corner of (d), and e as the enlarged upper-right corner of (f). c, d Show the different elements and e, f show the atomic local energies. g Compositions of the NP (MCINP) and matrix (MCM) from the 1M atom simulation via sampling along the x direction using a radius of 6.4 nm. h Compositions of the NP (MCINP) and matrix (MCM) from experiment, as reproduced from ref. 50 with permission from Science.

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