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Short-Range Order Formed in an Equiatomic CoNiCrFeMn Alloy during Annealing. Atomistic MD/MC Simulation

  • STRUCTURE, PHASE TRANSFORMATIONS, AND DIFFUSION
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The formation of a short-range order in an equiatomic high-entropy alloy (HEA) CoNiCrFeMn during annealing at moderate temperatures is studied by atomistic MD/MC simulation, including the exchange of atoms in the Monte Carlo (MC) scheme and relaxation of their positions by molecular dynamics (MD) simulation. Two types of chemical short-range order (CSRO) regions are found to form during annealing. The first type is mainly represented by Fe–Co atoms, and the second, by Cr-rich regions with Ni and Mn atoms at their boundaries. The short-range order formation is shown to include several stages, the sequence of which is determined by the Cr–Cr, Fe–Co, and Ni–Mn interactions.

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Funding

This work was carried out within the framework of a state assignment according to projects Pressure (project no. 122021000032-5) and Structure (project no. 122021000033-2).

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Authors and Affiliations

  1. Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 620108, Ekaterinburg, Russia

    I. N. Kar’kin, L. E. Kar’kina & Yu. N. Gornostyrev

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  1. I. N. Kar’kin
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  2. L. E. Kar’kina
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  3. Yu. N. Gornostyrev
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Correspondence to L. E. Kar’kina.

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Kar’kin, I.N., Kar’kina, L.E. & Gornostyrev, Y.N. Short-Range Order Formed in an Equiatomic CoNiCrFeMn Alloy during Annealing. Atomistic MD/MC Simulation. Phys. Metals Metallogr. 124, 1026–1031 (2023). https://doi.org/10.1134/S0031918X23601671

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