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arXiv · 2606.09146

Molecular dynamic simulation of multicomponent CoCrFeNiMn high-entropy alloy thin film deposition

Oleksandr I. Kushnerov·Sergey I. Ryabtsev·Valerij F. Bashev
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Abstract

The deposition and growth of a thin CoCrFeMnNi high-entropy alloy film on an Al(100) substrate were investigated by molecular dynamics simulation. Interatomic interactions were described using a calibrated set of Morse potentials combined with mixing rules for regular solutions. During a 100 ns simulation, 50,000 atoms with an incident energy of 10 eV were deposited, producing a film of about 6.1 nm thickness. The resulting film contains face-centred cubic (FCC), body-centred cubic (BCC), hexagonal close-packed (HCP), and amorphous regions. Analysis of the radial distribution function (RDF) was used to determine nearest-neighbour distances and estimate lattice parameters for the crystalline phases. The simulated phase composition and structural parameters are in good agreement with available experimental data.

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Oleksandr I. Kushnerov, Sergey I. Ryabtsev, Valerij F. Bashev. 2026-06-08. Molecular dynamic simulation of multicomponent CoCrFeNiMn high-entropy alloy thin film deposition. https://doi.org/10.1080/15421406.2025.2504044

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