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

Li, Wei; Tang, Jing; Wang, Hongtao; Fan, Haidong

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

Cited by 4 publications

(2 citation statements)

References 34 publications

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“…Aitken and Zhang 43 observed that the deformation of BCC HEA nanopillars under <001> compression was governed by twinning with a proposed mechanism of twin nucleation from the surface. Li et al 44 reported that the plastic deformation of BCC AlCoCr-Cu 0.5 FeNi HEA under compression was driven by deformed twins, facilitated by the alloying elements. Zhang et al 45 found that the deformation of BCC AlCrFeCoNi HEA nanopillars under compression in [100] and [111] directions was dominated by dislocation slip, while in the [110] direction, twinning deformation occurred.…”

Section: Introductionmentioning

confidence: 99%

“…Aitken and Zhang observed that the deformation of BCC HEA nanopillars under <001> compression was governed by twinning with a proposed mechanism of twin nucleation from the surface. Li et al reported that the plastic deformation of BCC AlCoCrCu 0.5 FeNi HEA under compression was driven by deformed twins, facilitated by the alloying elements. Zhang et al .…”

Section: Introductionmentioning

confidence: 99%

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Tension–Compression Asymmetry of BCC NbMoTaW in High Entropy Alloy Nanowires

Pan,

Fu,

Duan

et al. 2024

ACS Appl. Nano Mater.

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In recent years, considerable research efforts have been directed toward addressing the room-temperature brittleness of BCC NbMoTaW refractory high entropy alloys (RHEAs). However, there has been limited investigation of the plastic deformation mechanism at room temperature. In this work, we utilized molecular dynamics simulation to investigate the mechanical behavior and atomistic plastic deformation mechanism of BCC NbMoTaW RHEA nanowires under uniaxial compression/tension. It showed that, under tension, the primary deformation mechanism of the nanowires involves the nucleation and growth of twins from the surface, while under compression, the deformation is predominantly attributed to dislocation slip and twinning, with the twins formed by the dissociation of screw dislocations, differing from the twin nucleation and growth under tension. Furthermore, the tension−compression asymmetry of the nanowires was discussed in detail, considering the atomic arrangement and energy barrier. This work contributes to a deeper understanding of the relationship between the deformation mechanism and mechanical response of NbMoTaW RHEAs, which is significant for their rational design and aerospace applications.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%