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Molecular Dynamics Simulations on the Pyramidal Dislocation Behaviors in Magnesium
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1 Department of Mechanics, Sichuan University, Chengdu, 610065, China
* Corresponding Author: Haidong Fan. Email:
The International Conference on Computational & Experimental Engineering and Sciences 2023, 25(2), 1-1. https://doi.org/10.32604/icces.2023.09968
Abstract
Magnesium is a lightweight structural metal but the industrial application is limited by its poor intrinsic
ductility. Pyramidal
dislocations are believed to be responsible for the ductility enhancement whereas
the dislocation plasticity of magnesium was not well studied, especially the pyramidal dislocations. In this
work, molecular dynamics simulations were performed to investigate the pyramidal disloation behaviors
including the decomposition of pyramidal dislocations on both pyramidal-I and pyramidal-II planes and the
interactions between themselves and other dislocations in Mg. The pyramidal-I dislocations are
decomposed into and dislocations under shear stress at 0-400K, which all reside on basal plane. At
500-700K, the dislocations are transited onto basal plane at zero stress, then decomposed into and
dislocations under shear loading. Especially, at 700K, the dislocation is possibly decomposed spontaneously
at zero stress. For the pyramidal-II dislocations, the core is glissile below 400K. At 500K, the dislocation is
transited onto basal plane under shear loading. At 600-700K, basal dislocation is formed at zero
stress, but then decomposed under shear loading. Dislocation core energy is calculated to explain the
observations. It is found that the energy of decomposed dislocation is high, energy of pyramidal
dislocation is intermedium, while energy of basal dislocation is low. In addition, systematic
investigation of dislocation interactions are carried out, i.e. between dislocations, between
dislocations, between and dislocations, as well as between and dislocations. Various new
interaction products were observed and analyzed. Our results provide new insights into the behaviors of
pyramidal dislocations and temperature effects.
Keywords
Cite This Article
APA Style
Li, Z., Tang, J., Tian, X., Wang, Q., Jiang, W. et al. (2023). Molecular dynamics simulations on the pyramidal dislocation behaviors in magnesium.
The International Conference on Computational & Experimental Engineering and Sciences,
25(2), 1–1.
https://doi.org/10.32604/icces.2023.09968
Vancouver Style
Li Z, Tang J, Tian X, Wang Q, Jiang W, Fan H. Molecular dynamics simulations on the pyramidal dislocation behaviors in magnesium. Int Conf Comput Exp Eng Sciences. 2023;25(2):1–1.
https://doi.org/10.32604/icces.2023.09968
IEEE Style
Z. Li, J. Tang, X. Tian, Q. Wang, W. Jiang, and H. Fan, “Molecular Dynamics Simulations on the Pyramidal Dislocation Behaviors in Magnesium,”
Int. Conf. Comput. Exp. Eng. Sciences, vol. 25, no. 2, pp. 1–1, 2023.
https://doi.org/10.32604/icces.2023.09968
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Copyright © 2023 The Author(s). Published by Tech Science Press.
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