Application of rigorous interface boundary conditions in mesoscale plasticity simulations

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-02-26 DOI:10.1088/1361-651x/ad26a0
Jinxin Yu, Alfonso H W Ngan, David J Srolovitz, Jian Han
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Abstract

The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical properties of materials. However, the traditional approaches used to simulate grain boundaries lack physical fidelity and are often incompatible across different simulation methods. We review a new mesoscale interface boundary condition based on Burgers vector conservation and kinetic dislocation reaction processes. The main focus of the paper is to demonstrate how to unify this boundary condition with different plasticity simulation approaches such as the crystal plasticity finite element (CPFEM), continuum dislocation dynamics (CDD), and discrete dislocation dynamics (DDD) methods. In DDD and CDD, plasticity is simulated based on dislocation activity; in the former, dislocations are described as discrete lines while in the latter in terms of dislocation density. CPFEM simulates plasticity in terms of slip on each slip system, without explicit treatment of dislocations; it is suitable for larger scale simulations. To validate our interface boundary condition, we implemented simulations using both the CPFEM method and a two-dimensional CDD model. Our results show that our compact and physically realistic interface boundary condition can be easily integrated into multiscale simulation methods and yield novel results consistent with experimental observations.
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在中尺度塑性模拟中应用严格的界面边界条件
位错与界面/晶粒边界之间的相互作用,包括位错吸收、透射和反射,因其对材料力学性能的影响而备受研究界关注。然而,用于模拟晶界的传统方法缺乏物理保真度,而且不同模拟方法之间往往不兼容。我们综述了一种基于布尔格斯矢量守恒和动力学位错反应过程的新型中尺度界面边界条件。本文的重点是演示如何将这种边界条件与不同的塑性模拟方法统一起来,如晶体塑性有限元(CPFEM)、连续位错动力学(CDD)和离散位错动力学(DDD)方法。在 DDD 和 CDD 中,塑性是根据位错活动来模拟的;在前者中,位错被描述为离散线,而在后者中,位错被描述为位错密度。CPFEM 以每个滑移系统上的滑移来模拟塑性,而不明确处理位错;它适用于更大规模的模拟。为了验证我们的界面边界条件,我们使用 CPFEM 方法和二维 CDD 模型进行了模拟。结果表明,我们的界面边界条件结构紧凑、物理逼真,可以轻松集成到多尺度模拟方法中,并产生与实验观测结果一致的新结果。
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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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