揭示晶界相微结构的自动化分析
Automated Analysis to Reveal Grain Boundary Phase Microstructures
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中文总结 AI 辅助
该研究开发了一种自动化工具，可对平面重合位置点阵晶界进行微结构映射，识别晶界相分布、量化相特异性过剩性质并估算相界伯格斯矢量含量，为晶界演化研究提供支撑。
中文摘要 AI 辅助
我们开发了一种用于分析晶界（GB）微结构的方法，该方法可识别不同的界面相以及分隔这些相的位错线缺陷。与体材料类似，晶界可呈现多种不同的界面相并发生一级相变。当这些相共存时，它们的空间排列和相界构成了晶界微结构，其特征是过剩性质和线缺陷（及相关位错含量）存在变化。尽管存在这种本征异质性，我们对晶界微结构的定量表征能力仍有限，因为这需要识别单个晶界相、相分辨的过剩性质以及相界的伯格斯矢量含量，而现有自动化方法尚不具备这些能力。在此，我们提出一种自动化工具，用于对平面重合位置点阵晶界进行界面微结构映射。该方法可识别晶界相的空间分布、量化相特异性的过剩性质，并估算晶界相界的伯格斯矢量含量。我们用三个代表性案例验证了该方法：（i）扩散受限晶界相变过程中的质量输运定量；（ii）由空位和间隙环形成的结构不可区分相的识别；（iii）含相核的晶界微结构表征。更广泛而言，该框架可实现对晶界演化过程的定量研究，包括旋节分解和粗化，对晶界变形、蠕变和迁移具有直接意义。
英文摘要
We develop a method for analyzing grain boundary (GB) microstructures that identifies distinct interfacial phases and the dislocation line defects separating them. Similar to bulk materials, GBs can adopt multiple distinct interfacial phases and undergo first-order phase transitions. When these phases coexist, their spatial arrangement and phase junctions constitute a GB microstructure, characterized by variations in excess properties and line defects with associated dislocation content. Despite this intrinsic heterogeneity, our ability to quantitatively characterize GB microstructures remains limited, as it requires identification of individual GB phases, phase-resolved excess properties, and the Burgers content of phase junctions, capabilities not available in existing automated methods. Here, we present an automated tool that performs interfacial microstructure mapping for planar coincidence site lattice GBs. The method identifies the spatial distribution of GB phases, quantifies phase-specific excess properties, and estimates the Burgers content of GB phase junctions. We demonstrate the approach using three representative cases: (i) quantification of mass transport during diffusion-limited GB phase transformations; (ii) identification of structurally indistinguishable phases formed by vacancy and interstitial loops; and (iii) characterization of GB microstructures containing phase nuclei. More broadly, this framework enables quantitative studies of GB evolution processes, including spinodal decomposition and coarsening with direct implications for GB deformation, creep, and migration.
