Dissolution Mechanism of Mg-Gd-Ni Magnesium Alloy: Dft Calculations and Experimental Investigation

The aim of this work is to reveal the role of the second phase in the electrocoupling reaction of Mg-Gd-Ni soluble magnesium alloys and its corrosion dissolution process, so as to conduct an in-depth study on the corrosion mechanism of Mg-Gd-Ni soluble magnesium alloys. Therefore, the article adopts the first-principles calculation method of density flood theory to optimize the composition of Mg-Gd-Ni soluble magnesium alloy, and establishes the corrosion mechanism model of Mg-Gd-Ni soluble magnesium alloy by combining the scanning Kelvin electron microscope and electrochemical test experiments. The results show that the second phases Mg2Ni and MgGdNi4 act as cathodic phases during the corrosion process, accelerating the dissolution of the magnesium substrate; the second phases Mg5Gd, Mg2Gd, 14H-LPSO and 18R-LPSO act as anodic phases, which can accelerate the decomposition process of the magnesium structure as the dissolution amount proceeds. The results of this paper can provide a certain theoretical basis for the composition design and performance control of Mg-Gd-Ni soluble magnesium alloys.

Keywords: Mg-Gd-Ni alloy, DFT calculations, electrochemical characteristics, corrosion mechanism, first principles

Suggested Citation: Suggested Citation

wang, Qinghua and Ma, Lifeng and Huang, Zhiquan and Zhu, Yanchun and Zou, Jingfeng and Qin, Ling and Hao, Chenrui and Li, Ziliang and Ma, Liang, Dissolution Mechanism of Mg-Gd-Ni Magnesium Alloy: Dft Calculations and Experimental Investigation. Available at SSRN: https://ssrn.com/abstract=5009600 or http://dx.doi.org/10.2139/ssrn.5009600