Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system

Abstract: We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme a model alloy is generated which is thermodynamically stabilized by configurational entropy at elevated temperatures, but partly decomposes at lower temperatures by copper precipation. Both the high-entropy and the multiphase sample are then subjected to simulated particle irradiation. The damage accumulation is analyzed and compared to an elemental Ni reference system. The results reveal that the high-entropy alloy---independent of the initial configuration---installs a certain fraction of short-range order even under particle irradiation. Moreover, the results provide evidence that defect accumulation is reduced in the high-entropy alloy. This is because the reduced mobility of point defects leads to a steady state of defect creation and annihilation. The lattice defects generated by irradiation are shown to act as sinks for Cu segregation.