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

OI Kushnerov and SI Ryabtsev and VF Bashev, MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 769, 762-772 (2025).

DOI: 10.1080/15421406.2025.2504044

Molecular dynamics simulations were used to study the deposition and growth of a thin film of high-entropy CoCrFeMnNi alloy on an Al(100) substrate. Interatomic interactions were modeled using Morse potentials, which were developed with mixing rules adopted for regular solutions. A total of 50000 atoms with an incident energy of 10 eV were deposited for 100 ns, forming a film with a thickness of 6.1 nm. The resulting film exhibited face-centered cubic, body-centered cubic, hexagonal close- packed, and amorphous phases. Radial distribution function analysis determined the nearest neighbor distances and lattice parameters, which showed good agreement with experimental data.

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