Journal
PHYSICA B-CONDENSED MATTER
Volume 671, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physb.2023.415414
Keywords
High-entropy alloys; Body-centered-cubic; Compressive response; Deformation mechanisms; Atomistic simulations
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Atomistic simulations were conducted to study the compressive response and deformation mechanisms of BCC AlCrFeCoNi high-entropy alloys. The BCC HEA experiences three typical deformation stages: linear elastic behavior, plastic yielding, and yield flow. The plastic deformation mechanism is dominated by dislocation nucleation and slip accompanied by shear bands. Compared to the face-centered-cubic counterpart, the BCC HEA is harder and more brittle.
Atomistic simulations are performed to study the compressive response and deformation mechanisms of the body-centered-cubic (BCC) AlCrFeCoNi high-entropy alloys (HEAs). Our computations show that the BCC HEA mainly experiences three typical deformation stages, i.e. linear elastic, plastic yielding, and yield flow regimes, and the predicted Young's modulus and yield strength agree well with available experiments. The plastic deformation mechanism of BCC HEA is dominated by the dislocation nucleation and slip accompanied by shear bands but depends little on the phase transformation of the HEAs. Compared with the face-centered-cubic counterpart, the BCC HEA is harder and more brittle due to the less dislocation activities in the alloy. In addition, the dependences of mechanical properties and deformation mechanisms on influential factors including temperature, strain rate, and Cr concentration are also analyzed in detail. These findings may deepen our understanding of the underlying deformation mechanisms in BCC HEAs.
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