A First-principles Study on the Adhesion Strength, Interfacial Stability, and Electronic Properties of Mg/Mg2Y Interface

Zhou, Yunxuan; Tian, Wenjun; Qi-wu, Dong; Wang, Hailian; Tan, Jun; Chen, Xianhua; Zheng, Kaihong; Pan, Fusheng

doi:10.1007/s40195-023-01547-2

Cited by 3 publications

(2 citation statements)

References 71 publications

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“…However, it is difficult to determine the interface properties by experiment. In response, some researchers investigate interface properties through methods such as first-principle calculations, molecular dynamics simulations, and microscopic FE models [ 47 , 48 , 49 , 50 , 51 , 52 ]. For different Mg alloys, there is significant variation in the interface properties between the matrix and SPP.…”

Section: Finite Element Modelingmentioning

confidence: 99%

Numerical Investigation on Precipitation Hardening of Mg-Gd Alloys

Ge,

Yang,

et al. 2024

Materials

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The second-phase particles in magnesium alloys could affect the mechanical properties of the material significantly. In this work, 3D finite element models with explicit incorporation of second-phase particles are established. The simulations are calibrated with the experimental results of the Mg-1Gd alloy. The influences of factors, such as the particle distribution, size, and orientation of cylindrical particles, on precipitation hardening are investigated in detail. Three interface conditions between particles and the matrix—perfect bonding and high- and low-strength bonding—are studied at the same time. The interface conditions are shown to exert a stronger influence on precipitation hardening compared to the factors of particle distribution and size. In contrast, the influence of the orientation of cylindrical particles at grain boundaries outweighs the effect of interface property. When second-phase particles are relatively large and all located at grain boundaries, the hardening effect can be improved, and the magnesium alloy shows relatively high flow stress. However, the high hardening effect from the second-phase particles could result in high local stress concentration and possible early failure or low ductility of Mg alloys.

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Section: Finite Element Modelingmentioning

confidence: 99%

Numerical Investigation on Precipitation Hardening of Mg-Gd Alloys

Ge,

Yang,

et al. 2024

Materials

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“…Overcoming these challenges requires innovative techniques and meticulous attention to unlock the full potential of Mgbased composites for various applications. For example, many researchers calculated the adhesion strength, interfacial stability, and electronic properties of Mg/reinforcements based on first-principle study to design strong interface [16]. Machine learning can also be applied to predict the tensile strength of particles reinforced MMCs, and additional trialand-error experiment is accordingly avoided to effectively develop MMCs.…”

mentioning

confidence: 99%