AI 中文总结
本研究评估EBSD分辨金属间化合物细微晶体学特征的能力，结合模式匹配与动力学模拟，成功预测Nb-Co和Nb-Ni μ相的中间层间距变化，与XRD和HR-TEM结果吻合。
AI 中文摘要
在有序金属间化合物中，晶格位点占据率的微小变化以及特定的中间层间距已被确定为临界分解剪切应力发生显著变化的来源，因此某一特定相会影响合金性能。迄今为止，原子位置和晶格位点占据率传统上通过高分辨率透射电子显微镜（HR-TEM）和X射线衍射（XRD）进行表征，这些方法要么提供局部细节，要么提供高统计显著性，但无法同时兼顾两者。相比之下，电子背散射衍射（EBSD）可在大样品区域提供高空间分辨率，因此具有对中间层间距和位点晶格占据率进行局部研究并提高统计可靠性的潜力。本研究的目标是评估EBSD分辨这些细微特征的能力，并将其与成分和力学性能相关联。在本案例研究中，我们表明EBSD可分辨μ相金属间化合物的关键晶体学特征，特别是中间层间距。我们将模式匹配与模板库的大规模动力学模拟相结合，该模拟由基于XRD的晶格参数信息引导。为此，我们生成了在三层与Kagome层之间的间距以及3a位点的晶格位点占据率上存在差异的结构。该方法成功预测了Nb-Co和Nb-Ni μ相中Kagome层与三层之间中间层间距的变化，与XRD和HR-TEM结果吻合良好。
英文摘要
In ordered intermetallics, slight variations in lattice site occupancy and specific interlayer spacings have been identified as the sources of significant changes in critical resolved shear stress and therefore how a given phase may affect alloy properties. So far, atom positions and lattice site occupancies have traditionally been characterised by high-resolution transmission electron microscopy (HR-TEM) and X-ray diffraction (XRD), which are methods that offer either local detail or high statistical significance but not both. Electron backscatter diffraction (EBSD), by contrast, provides high spatial resolution across large sample areas and therefore, has the potential to enable the local investigation of interlayer spacing and site lattice occupancy with improved statistical reliability. The objectives of the study are to benchmark EBSDs capability for resolving these subtle features and to correlate them with compositional and mechanical properties. In this case study, we therefore show that EBSD can resolve key crystallographic features of mu-phase intermetallics, specifically interlayer spacings. We combine pattern matching with large-scale dynamical simulations of template libraries guided by XRD based information on lattice parameters. For this, we generate structures that vary in the spacing between triple-layer and Kagome layer and in the site lattice occupancy of the 3a site. This approach successfully predicts the change of interlayer spacing between Kagome and triple layers in Nb-Co and Nb-Ni mu-phases, in good agreement with XRD and HR-TEM.
