准周期[110]对称倾斜FCC晶界

IF 3.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Wenwen Zou , Juan Zhang , Jie Xu , Kai Jiang
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引用次数: 0

摘要

在这项工作中,我们使用最近开发的准周期界面相场晶体模型研究了110对称倾斜FCC晶界(GBs)。该方法可以精确地得到任意倾斜角度下的重力加速度。更重要的是,在与二次代数数2和3−1相关的特定倾斜角下,我们发现准周期GBs表现出广义Fibonacci序列。通过分析球的位移和谱收敛性,探讨了准周期GBs向周期GBs过渡的机理。我们还提出了一种精确计算任意倾斜角度下的GB能量的方法,并分析了影响能量的因素。结果表明,除周期性GB外,GB能量随倾角的变化是连续的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Quasiperiodic [110] symmetric tilt FCC grain boundaries

Quasiperiodic [110] symmetric tilt FCC grain boundaries
In this work, we investigate 110 symmetric tilt FCC grain boundaries (GBs) using a recently developed approach for quasiperiodic interfaces with the phase field crystal model. GBs at arbitrary tilt angles can be accurately obtained through our developed method. More significantly, at specific tilt angles associated with the quadratic algebraic numbers 2 and 31, we find that quasiperiodic GBs exhibit generalized Fibonacci sequences. The transition mechanism from quasiperiodic to periodic GBs is explored by examining the displacement of spheres and spectral convergence. We also propose an accurate method to calculate the GB energy at arbitrary tilt angles and analyze the factors affecting the energy. The results indicate that, except for periodic GBs, the variation of GB energy with tilt angle is continuous.
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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