In this work, we investigated short-range ordering in the equiatomic CoCrFeNi high-entropy alloy by means of a machine-learning interatomic potential. The potential was represented as a low-rank tensor. The tensor coefficients were determined in order to reproduce the results of DFT calculations. This potential was used in an on-lattice Metropolis Monte-Carlo algorithm. We established, for the first time, that iron and chromium atoms form sublattices at the temperatures below 600°C and 1230°C, respectively.
- Ab-initio calculations
- High-entropy alloys
- Monte carlo simulation
- Order/disorder transformation