Chemical and Structural Segregation in Quaternary Ni-Cu-Fe-Co Nanoparticles: Atomistic Simulation and Experiment.

The potential component of the specific internal energy (ΔU) shows a decreasing trend with increasing particle size: for 2,000 atoms, it is −3.98 eV/atom, for 5,000 atoms – −4.03 eV/atom, and for 10,000 atoms – −4.06 eV/atom, indicating structural stabilization with increasing nanoparticle size (see Figure - a, c, e).

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