Statistics of grain microstructure evolution under anisotropic grain boundary energies and mobilities using threshold-dynamics

IF 1.9 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Modelling and Simulation in Materials Science and Engineering Pub Date : 2024-02-28 DOI:10.1088/1361-651x/ad2787
Jaekwang Kim, Nikhil Chandra Admal
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Abstract

This paper investigates the statistics of two-dimensional grain microstructures during grain growth under anisotropic grain boundary (GB) energies and mobilities. We employ the threshold dynamics method, which allows for unparalleled computational speed, to simulate the full-field curvature motion of grain boundaries in a large polycrystal ensemble. Two sets of numerical experiments are performed to explore the effect of GB anisotropy on the evolution of microstructure features. In the first experiment, we focus on abnormal grain growth and find that GB anisotropy introduces a statistical preference for certain grain orientations. This leads to changes in the overall grain size distribution from the isotropic case. In the second experiment, we examine the development of texture and the growth of twin boundaries for different initial microstructures. We find that texture development and twin growth are more pronounced when the initial microstructure has a dominant fraction of high-angle grain boundaries. Our results suggest effective GB engineering strategies for improving material properties.
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利用阈值动力学统计各向异性晶界能量和流动性下的晶粒微观结构演化
本文研究了各向异性晶界(GB)能量和流动性条件下晶粒生长过程中的二维晶粒微结构统计。我们采用计算速度无与伦比的阈值动力学方法来模拟大型多晶体集合中晶界的全场曲率运动。为了探索 GB 各向异性对微结构特征演变的影响,我们进行了两组数值实验。在第一组实验中,我们重点研究了异常晶粒生长,发现 GB 各向异性会对某些晶粒取向产生统计偏好。这导致整体晶粒尺寸分布与各向同性情况相比发生变化。在第二个实验中,我们研究了不同初始微结构的纹理发展和孪晶边界生长。我们发现,当初始微观结构中高角晶界占主导地位时,纹理发展和孪晶生长更为明显。我们的研究结果为改善材料性能提出了有效的 GB 工程策略。
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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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