Atomistic simulations of the face-centered-cubic-to-hexagonal-close-packed phase transformation in the equiatomic CoCrFeMnNi high entropy alloy under high compression

We performed the modified-embedded-atom-method (MEAM) based molecular dynamics (MD) simulations to investigate the plastic deformation and phase transformation behaviors in the CoCrFeMnNi HEA under high compression at room temperature. Our MD simulations revealed that the stress-induced phase transformations in the CoCrFeMnNi HEA are strongly crystal orientation-dependent. The [0 0 1] uniaxial compression can induce the significant...