High-strong-ductile magnesium alloys by interactions of nanoscale quasi-long period stacking order unit with twin. [Dataset]

Abstract

Magnesium alloys with high strength in combination of good ductility are especially desirable for applications in transportation, aerospace and bio-implants owing to their high stiffness, abundant raw materials, and environmental friendliness. However, the majority of traditional strengthening approaches including grain refining and precipitate strengthening can usually prohibit dislocation movement at the expense of ductility invariably. The file associated with this output contains supplementary material of 3 MP4 video files.

Citation

ZHOU, L., NIU, T., ZOU, G., SU, H., HE, S., ZHENG, S., ZHU, Y., CHEN, P., FERNANDEZ, C. and PENG, Q. 2024. High-strong-ductile magnesium alloys by interactions of nanoscale quasi-long period stacking order unit with twin. [Dataset]. Journal of magnesium and alloys [online], In Press. Available from: http://tinyurl.com/bdh3kb39

• Acceptance Date: Jan 7, 2024
• Online Publication Date: Feb 1, 2024
• Deposit Date: Feb 15, 2024
• Publicly Available Date: Feb 15, 2024
• Publisher: Elsevier
• DOI: https://doi.org/10.1016/j.jma.2024.01.015
• Keywords: QLPSO; Twin boundary; Molecule dynamics; High resolution TEM
• Public URL: https://rgu-repository.worktribe.com/output/2243189
• Related Public URLs: https://rgu-repository.worktribe.com/output/2235450 (Journal article)
• Type of Data: 3 MP4 video files.
• Collection Date: Oct 18, 2023
• Collection Method: To reveal the interaction mechanism between the QLPSO phase and {1012} twinning, molecular dynamics (MD) simulations were performed using the large-scale atomic/molecular massively parallel simulator (LAMMPS) [16]. The interatomic potential of the Mg-Zn-Y ternary system was not available in the literature because developing a reliable one was highly challenging. Therefore, we used a hybrid atomic potential which was a combination of Lennard–Jones (L–J) potential with Modified Embedded-Atom Method (MEAM) potential [17]. Specifically, MEAM potentials developed by Lee al [18,19]. were used to describe the interaction for Mg-Mg, Mg-Zn, Mg-Y, Zn-Zn, and Y-Y pairs, and a L-J potential was adopted to describe the interaction of the Y-Zn pair To set up the simulation system, a bicrystal was first constructed to satisfy the perfect {1012}(1011) twin relationship. Then, the QLPSO or LPSO was pre-planted in the parent lattice. Dimensions of all simulation models with QLPSO andv LPSO structures were approximately 23 × 36 × 26 nm3, containing ~900 000 atoms. No periodic boundary condition was applied. The conjugate gradient algorithm was used to perform energy minimization followed by further relaxation at 100K within the microcanonical (NVE) ensemble for 20 ps. A simple shear strain was applied to cause TB to migrate and then interacted with the QLPSO. The stain rate was ~1010 /s, and the time-step was 1.0 fs. The visualization software Ovito was used to analyze and visualize the simulation results. Movie S1. Comparison of the interactions between QLPSO with different layers and twins. Movie S2. The formation of <3.7° QLPSO-twin structure. Movie S3. Structure transformation process from <86.3° QLPSO-twin to <3.7° QLPSO-twin.