Effect of helium bubbles on the mobility of edge dislocations in copper

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY
Minh Tam Hoang, Nithin Mathew, Daniel N Blaschke and Saryu Fensin
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引用次数: 0

Abstract

Helium bubbles can form in materials upon exposure to irradiation. It is well known that the presence of helium bubbles can cause changes in the mechanical behavior of materials. To improve the lifetime of nuclear components, it is important to understand deformation mechanisms in helium-containing materials. In this work, we investigate the interactions between edge dislocations and helium bubbles in copper using molecular dynamics (MD) simulations. We focus on the effect of helium bubble pressure (equivalently, the helium-to-vacancy ratio) on the obstacle strength of helium bubbles and their interaction with dislocations. Our simulations predict significant differences in the interaction mechanisms as a function of helium bubble pressure. Specifically, bubbles with high internal pressure are found to exhibit weaker obstacle strength as compared to low-pressure bubbles of the same size due to the formation of super-jogs in the dislocation. Activation energies and rate constants extracted from the MD data confirm this transition in mechanism and enable upscaling of these phenomena to higher length-scale models.
氦气泡对铜中边缘位错迁移率的影响
材料经辐照后会产生氦气泡。众所周知,氦气泡的存在会导致材料的机械行为发生变化。为了提高核元件的使用寿命,了解含氦材料的变形机制非常重要。在这项工作中,我们利用分子动力学(MD)模拟研究了铜中边缘位错与氦气泡之间的相互作用。我们重点研究了氦气泡压力(等同于氦空隙比)对氦气泡障碍强度及其与位错相互作用的影响。我们的模拟预测了氦气泡压力对相互作用机制的显著影响。具体地说,与相同大小的低压气泡相比,内部压力高的气泡表现出更弱的障碍强度,这是由于位错中形成了超锯齿。从 MD 数据中提取的活化能和速率常数证实了这一机制的转变,并能将这些现象放大到更高长度尺度的模型中。
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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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