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• W4308465304 abstract "We assess the effect of interatomic potential in determining the shock response of the high entropy Cantor alloy through large scale non-equilibrium molecular dynamics simulations. In literature, two different potentials have been suggested for modelling Cantor alloys at atomic scale – the 2NN MEAM potential, henceforth termed as the MEAM potential, and the Lennard-Jones (LJ) type-potential. We show that the MEAM potential results in a different shock response than the LJ type-potential – (i) the shock wave speed and the pressure behind the shock front are smaller for MEAM than the LJ type-potential, (ii) no twinning is observed with the MEAM potential along the [100] direction unlike that with the LJ type-potential, and (iii) the shock induced phase transition from FCC to HCP is observed along the [100] direction only with the LJ type-potential. Our numerical results with the LJ type-potential are in agreement with the experiments as well, where twinning and phase transition have been observed. Looking at the morphology of the post-shocked samples at different times, we identify the mechanism behind the phase transition. Lastly, we subject the post-shocked structure to uniaxial tensile tests to show that for the [111] direction, a greater fracture strain than the unshocked structure is obtained, suggesting a higher fracture toughness. • Used 2-NN MEAM and LJ-type potential to study the effect of shock loading in Cantor alloy. • The LJ-type potential results in higher shock pressure and shock speed as compared to MEAM. • The elastic precursor wave is overdriven by the plastic wave along [100], unlike the [110] and [111] directions. • Plastic deformation by slipping and twinning in [100] direction is observed with LJ-type, consistent with experiments, unlike the MEAM potential. • Disordered phases along [110] and [111] directions increases the fracture toughness in after-shocked samples." @default.
• W4308465304 created "2022-11-12" @default.
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• W4308465304 date "2022-12-01" @default.
• W4308465304 modified "2023-09-27" @default.
• W4308465304 title "A comparative investigation of shock response in high entropy Cantor alloys by MEAM and LJ type potentials" @default.
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• W4308465304 doi "https://doi.org/10.1016/j.mtcomm.2022.104843" @default.
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