Atomistic simulations of incident dislocation interactions with nickel grain boundaries

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY
David E Page, David T Fullwood, Robert H Wagoner, Eric R Homer
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Abstract

Grain boundaries strengthen metals and act as hardening agents, impeding plastic flow macroscopically. The interactions between grain boundaries and dislocations are complex and difficult to predict. To understand the connection between resolved shear stresses and transmission events we simulated dislocation-grain boundary interactions in a number of [112] asymmetric tilt grain boundaries designed for optimal transmission of dislocations. By shearing the cell containing the grains on either side of the boundary, we drove the dislocation into the grain boundary and observed the interaction. The key findings include: (i) roughly half of the observed dislocation-grain boundary interactions resulted in transmission, which is a lower than expected transmission rate of incident dislocations; (ii) a rejection of a hypothesized monotonic relationship between applied stress and transmission of dislocations based on observations; (iii) significant restructuring of the grain boundaries resulting from the applied stress and incident dislocation interactions; and (iv) a suggestion that transmission events appear to be better described as separate absorption and nucleation events, with each event affecting and affected by the evolving grain boundary structure. Together, these point to continued challenges and opportunities surrounding dislocation-grain boundary interactions. The challenges relate to the difficulty in extracting absorption and nucleation criteria. The opportunities suggest that mesoscale models can treat all these events independently based on relevant criteria if they can be obtained.
入射位错与镍晶界相互作用的原子模拟
晶界可强化金属并起到硬化作用,从宏观上阻碍塑性流动。晶界与位错之间的相互作用非常复杂,难以预测。为了了解解析剪应力与位错传递事件之间的联系,我们模拟了一些 [11-2] 非对称倾斜晶界中位错与晶界的相互作用,这些晶界是专为优化位错传递而设计的。通过剪切边界两侧包含晶粒的单元,我们将差排驱赶到晶界中并观察其相互作用。主要发现包括(i) 在观察到的差排-晶界相互作用中,大约有一半导致了位错的穿透,这比预期的入射差排穿透率要低;(ii) 根据观察结果,否定了外加应力与位错穿透之间单调关系的假设;(iii) 外加应力与入射差排相互作用导致了晶界的显著重组;(iv) 建议将穿透事件更好地描述为单独的吸收和成核事件,每个事件都会影响并受不断演变的晶界结构的影响。这些都表明,围绕差排-晶界相互作用的挑战和机遇依然存在。挑战与提取吸收和成核标准的困难有关。机遇则表明,如果可以获得相关标准,中尺度模型可以根据这些标准独立处理所有这些事件。
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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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