Strengthening of edge prism dislocations in Mg-Zn by cross-core diffusion

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-06-04 DOI:10.1088/1361-651x/ad53eb
Masoud Rahbarniazi, William Curtin
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Abstract

The activation of prismatic slip in Mg and its alloys can be beneficial for deformation and forming. Experiments show that addition of Zn and Al solutes have a softening effect at/below room temperature, attributed to solutes facilitating basal-prism-basal cross-slip of prismatic screw dislocations, but a strengthening effect with increasing temperature. Here, the dynamic strain aging mechanism of cross-core diffusion within the prismatic edge dislocation is investigated as a possible mechanism for the strengthening at higher temperatures. First-principles calculations provide the required information on solute/dislocation interaction energies and vacancy-mediated solute migration barriers for Zn solutes around the dislocation core. Results for Mg-0.0045Zn show that cross-core diffusion notably increases the stress for prismatic edge dislocation glide but that the strengthening remains roughly 30% of the experimental strength. Other possible strengthening mechanisms of (i) solute drag of the prism edge dislocation and (ii) solute interactions and/or diffusion within the prismatic screw core, are then briefly discussed with some quantitative assessments pointing toward areas for future study.
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通过跨核扩散强化镁锌中的边缘棱柱位错
激活镁及其合金中的棱柱滑移有利于变形和成型。实验表明,添加锌和铝溶质在室温/室温以下会产生软化效应,这是由于溶质促进了棱边螺旋位错的基底-棱边-基底交叉滑移,但随着温度的升高会产生强化效应。在此,我们研究了棱柱边位错内交叉核扩散的动态应变老化机制,以此作为高温下强化的一种可能机制。第一原理计算为差排核心周围的锌溶质提供了溶质/差排相互作用能和空位介导的溶质迁移障碍等所需信息。Mg-0.0045Zn 的结果表明,跨核扩散显著增加了棱边位错滑行的应力,但其强化作用仍约为实验强度的 30%。然后简要讨论了其他可能的强化机制:(i) 棱边位错的溶质拖曳和 (ii) 棱边螺核内的溶质相互作用和/或扩散,并进行了一些定量评估,指出了未来研究的领域。
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来源期刊
CiteScore
3.30
自引率
5.60%
发文量
96
审稿时长
1.7 months
期刊介绍: Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation. Subject coverage: Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.
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