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Molecular Dynamics Simulations on the Pyramidal Dislocation Behaviors in Magnesium

Zikun Li¹, Jing Tang¹, Xiaobao Tian¹, Qingyuan Wang¹, Wentao Jiang¹, Haidong Fan^1,*

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.

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Keywords

Magnesium alloys; pyramidal dislocations; molecular dynamics; decomposition

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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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