Theoretical investigation on aging precipitation mechanisms and precipitation strengthening effect of Mg-Gd alloy

IF 3.2 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Solid State Chemistry Pub Date : 2025-02-21 DOI:10.1016/j.jssc.2025.125285

Xia Shao , Zhida Tan , Lei Xia , Yanlin Guo , Shaoxun Li , Simiao Sha , Jiancheng Li , Qun Luo , Wenxian Li , Bin Liu , Qian Li

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Abstract

Magnesium gadolinium (Mg-Gd) alloys have received increasing attention as the lightest structural materials. Although a large number of experimental results have been reported, the aging precipitation mechanism of Mg-Gd alloys is still unclear. In this work, the elastic strain energy, formation energy, and interface energy of existed precipitates in Mg-Gd alloy is studied, and their underlying mechanism is analyzed. It is found that the habit planes of β′, β_F′ and β_T are the (100) plane (or the (11

\bar{2}

0) plane in the hexagonal system), but β″ cannot form long-range ordered structures. The phase transition resistance of β_F′ is greater than that of β′, causing β_F′ to precipitate after β′, while the negative interface energy and larger strain energy lead to the precipitation of β_T after β′. Moreover, the influence of the size and volume fraction of precipitates on the strengthening effect caused by precipitates is also calculated. The strengthening effect of β′ is predicted to be the best among the four coherent precipitates. These findings offer guidelines for the design of high-performance Mg-Gd alloys.

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Mg-Gd合金时效析出机理及析出强化效果的理论研究

镁钆合金作为最轻的结构材料越来越受到人们的关注。虽然已有大量的实验结果报道，但Mg-Gd合金的时效析出机理仍不清楚。本文研究了Mg-Gd合金中析出相的弹性应变能、形成能和界面能，并对其形成机理进行了分析。发现β′、β f′和β t的习惯面均为（100）面（或六边形体系中的（11.2 - 0）面），但β″不能形成长程有序结构。β f ‘的相变阻力大于β ’，导致β f ‘在β ’之后析出，而负界面能和较大的应变能导致β t在β '之后析出。此外，还计算了析出相尺寸和体积分数对析出相强化效果的影响。四种共相中，β′强化效果最好。这些发现为高性能Mg-Gd合金的设计提供了指导。

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来源期刊

Journal of Solid State Chemistry 化学-无机化学与核化学

CiteScore

6.00

自引率

9.10%

发文量

848

审稿时长

25 days

期刊介绍： Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.