Issue 80, 2016, Issue in Progress

Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation

Abstract

Although a high-entropy alloy has exhibited promising mechanical properties, little attention has been given to the dynamics deformation mechanism during uniaxial tension, which limits its widespread and practical utility. According to the experiment, an atomic model AlCrFeCuNi HEA was built using a melting and quick quenching method. In this work, the mechanical behaviors of the AlCrFeCuNi high-entropy alloy under uniaxial tensile loading are studied using atomistic simulation to investigate the evolution of dislocation and stacking fault as well as deformation twinning. The results show that calculations for the elastic properties and stress–strain relations are in excellent agreement with recent experimental results. Above all, the AlCrFeCuNi1.4 HEA not only has high strength, but also exhibits good plasticity which is qualitatively consistent with the experiment. Similar to the mechanical properties of single-crystal metals, stress fluctuation during plastic deformation of the high-entropy alloy is always accompanied with the generation and motion of dislocation and stacking fault with the increase of strain. In addition, the dislocation–dislocation interaction, dislocation–solid solution interaction, deformation twinning and detwinning occur after the yield point. Furthermore, the dislocation gliding, dislocation pinning due to the severe lattice-distortion and solid solution, and twinning are still the main mechanisms of plastic deformation in the AlCrFeCuNi1.4 high-entropy alloy. This atomistic mechanism provides a fundamental understanding of plastic deformation in a high-entropy alloy.

Graphical abstract: Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation

Article information

Article type
Paper
Submitted
26 Jun 2016
Accepted
25 Jul 2016
First published
26 Jul 2016

RSC Adv., 2016,6, 76409-76419

Mechanical behaviors of AlCrFeCuNi high-entropy alloys under uniaxial tension via molecular dynamics simulation

J. Li, Q. Fang, B. Liu, Y. Liu and Y. Liu, RSC Adv., 2016, 6, 76409 DOI: 10.1039/C6RA16503F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements