Fig. 7: Sluggish diffusion in HEA NPs.

a Cohesive energies of Co₁₆Ni₁₆Cu₁₅Ru₁₆Pd₁₆ HEA and M₇₉ model clusters as calculated using DFT and b atomic diffusion coefficients for the elements in the Co₁₆Ni₁₆Cu₁₅Ru₁₆Pd₁₆ HEA and M₇₉ models as determined by MD simulations.