Molecular Dynamics Simulations on the Mechanical Behavior of AlCoCrCu0.5FeNi High-Entropy Alloy Nanopillars

W Li and J Tang and QY Wang and HD Fan, TMS 2019 148TH ANNUAL MEETING & EXHIBITION SUPPLEMENTAL PROCEEDINGS, 1271-1280 (2019).

DOI: 10.1007/978-3-030-05861-6_121

Molecular dynamics simulations were employed to investigate the plastic deformation ofAlCoCrCu(0.5)FeNi high-entropy alloy (HEA) nanopillars with a body-centered cubic structure. The plastic deformation of HEA and pure Fe nanopillars was observed to be dominated by deformation twinning. However, the yield stress of the HEA nanopillars is smaller than that in pure Fe nanopillars. The generalized stacking faults energy (GSFE) and generalized planar fault energy (GPFE) were calculated, which suggest that the a/6 < 111 > twinning dislocations are more likely to nucleate than a/2 < 111 > full dislocations. The emission of a/6 < 111 > twinning dislocations on adjacent 112 slip planes is also much easier than that of a/2 < 111 > full dislocation on the same 112 slip plane. Hence, it can be concluded that deformation twinning is the favorable plastic deformation mode in HEA nanopillars at room temperature, and alloying elements facilitate the nucleation of twins.

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