Discharge and ignition mechanism of high-entropy alloy induced by crack propagation under quasi-static compressive load

Abstract

In order to reveal the discharge and ignition mechanism of high-entropy alloy under quasi-static compression load, the stress, potential and ignition evolution process of high-entropy alloy with prefabricated cracks were tested. The atomic structure and dislocation evolution of high-entropy alloy during crack propagation and compression were determined by molecular dynamics simulation, and the discharge mechanism of crack tip was analyzed at the micro level. Based on the calculation of Gibbs free energy, the products in the ignition reaction process were predicted. The results of mechanical/thermal/electrical characteristics induced by compressive load show that the discharge usually occurs near the ignition moment of specimen fracture, and the maximum potential signal can reach 34.2 V. The formation of crack group, crack propagation, local stress concentration, charge accumulation and release at the crack tip jointly induce the generation of discharge signals. With the propagation of cracks, a large number of stacking faults appear and a diamond-shaped failure zone is formed. The increase of disordered atoms leads to fracture. During the compression process, a large number of dislocations induce the separation of charges, which aggravates the discharge at the crack tip. In the Hf-Zr-Ti-Ta-Nb-Cu high-entropy alloy system, the reaction product Ta₂O₅ is preferentially generated, while in the Ti–Zr-Hf-Cu system, Ti₂O₃ is preferentially generated. The tip discharge and chemical bond fracture during crack propagation induce ignition, and the chemical bond recombines with energy release.