裂纹构造对断裂行为和应力屏蔽的影响：分子动力学模拟的启示

IF 1.9 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-08-11 DOI:10.1088/1361-651x/ad691b

O C Şen and R Janisch

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引用次数: 0

摘要

钛铝合金的断裂行为受到其纳米层状结构的显著影响。然而，要完全理解初始裂纹构造如何影响片状 Ti-Al 的变形行为，仍需进一步研究。虽然分子动力学模拟是研究界面主导型微结构中裂纹尖端相互作用的重要方法，但模拟的设计会对预测的行为产生影响。为了阐明这一问题，同时了解特定界面结构的影响，我们对纳米板层双相钛铝中的裂纹尖端界面相互作用进行了系统研究。在这些模拟中，界面的类型和裂纹的构造各不相同，以区分微观结构和裂纹几何形状的影响。结果表明，半相干伪孪晶（PT）界面是裂纹扩展的最强障碍，而相干真孪晶（TT）界面则是最弱的障碍。在对各种因素进行深入研究后，我们发现裂纹的走向比裂纹的长宽比对裂纹扩展的影响更大。片状界面的应力屏蔽效果在很大程度上取决于裂纹的构造。然而，无论最初的裂纹设置如何，就屏蔽效果而言，相干 TT 接口似乎是最有效的接口。

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Crack configuration influence on fracture behavior and stress shielding: insights from molecular dynamics simulations

The fracture behavior of the Ti–Al alloy is significantly affected by its nano-lamellar structure. However, further investigation is still required to fully comprehend how the initial crack configuration influences the lamellar Ti–Al’s deformation behavior. Although molecular dynamics simulations are a great way to study crack-tip interactions in interface-dominated microstructures, the design of the simulation can have an impact on the behavior that is predicted. To shed light on this matter and at the same time to understand the impact of the specific interface structure, a systematic study of crack-tip interface interactions in nano-lamellar two-phase Ti–Al was carried out. The type of interface and crack configuration were varied in these simulations to distinguish between the effects of the microstructure and the crack geometry. Results show that the semi-coherent pseudo twin ( PT) interface is the strongest barrier for crack propagation while the coherent true twin interface ( TT) is the weakest. After a thorough review of the contributing factors, it is evident that the orientation of the crack has a greater impact on its propagation than the aspect ratio of the crack. The stress shielding effectiveness of lamellar interfaces is strongly dependent on the crack configuration. However, regardless of the initial crack set-up, the coherent TT interface appears to be the most effective interface in terms of shielding.

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来源期刊

Modelling and Simulation in Materials Science and Engineering 工程技术-材料科学：综合

CiteScore

3.30

自引率

5.60%

发文量

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.