Pressure dependence of structural, elastic and electronic of Mg2Y: A first principles study

Li, Chao; Zhang, Kun; Ru, Jigang

doi:10.1016/j.jallcom.2015.05.132

Cited by 8 publications

(1 citation statement)

References 22 publications

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“…Figure 3 shows that, with the increase in strain, several solid solution structures undergo obvious yielding, accompanied by the appearance of an upper yield point and a lower yield point. Because lower yield is a stable form of the yield process, the lower yield point is usually selected as the yield strength if the structure shows both upper and lower yield points [33]. It can be seen from Table 3 and Figure 3 that when the solid's solubility is 1.8 at.%, the solid solution structure will have a lower yield point at the strain of 7%, and the yield strengths of Mg 54 , Mg 53 Zn 1 and Mg 53 Ag 1 will be 1.21 × 10 3 MPa, 1.46 × 10 3 MPa and 1.25 × 10 3 MPa, respectively.…”

Section: Tensile Propertiesmentioning

confidence: 99%

Investigation on Structural, Tensile Properties and Electronic of Mg–X (X = Zn, Ag) Alloys by the First-Principles Method

Gao

Feng

et al. 2023

Crystals

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In order to study the strengthening effect of Mg–X (X = Zn, Ag) alloys, solid solution structures of Mg54, Mg53X1 and Mg52X2 (X = Zn, Ag) with atomic contents of 1.8 at.% and 3.7 at.% were established, respectively. The structural stability, tensile properties and electronic properties were investigated by first-principles simulation. The calculated results of cohesive energies show that all solid solution structures were stable under different tensile strains, and Mg52Ag2 had the best stability. The results of tensile tests show that Zn and Ag atoms promoted the Mg-based alloy’s yield strength and tensile strength. In addition, through comparative analyses, we have demonstrated that the tensile property of Mg-based alloys was also affected by solid solubility. Finally, the electronic density of states (DOS) and electron density difference of several solid solution structures were analyzed.

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Section: Tensile Propertiesmentioning

confidence: 99%