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面心立方电子衍射花样中漫散射强度的起源。

On the origin of diffuse intensities in fcc electron diffraction patterns.

机构信息

Materials Engineering Department (DEMa), Universidade Federal de São Carlos, São Carlos, Brazil.

SIGMA Division, Los Alamos National Laboratory, Los Alamos, NM, USA.

出版信息

Nature. 2023 Oct;622(7984):742-747. doi: 10.1038/s41586-023-06530-6. Epub 2023 Oct 25.

Abstract

Interpreting diffuse intensities in electron diffraction patterns can be challenging in samples with high atomic-level complexity, as often is the case with multi-principal element alloys. For example, diffuse intensities in electron diffraction patterns from simple face-centred cubic (fcc) and related alloys have been attributed to short-range order, medium-range order or a variety of different {111} planar defects, including thin twins, thin hexagonal close-packed layers, relrod spiking and incomplete ABC stacking. Here we demonstrate that many of these diffuse intensities, including [Formula: see text]{422} and [Formula: see text]{311} in ⟨111⟩ and ⟨112⟩ selected area diffraction patterns, respectively, are due to reflections from higher-order Laue zones. We show similar features along many different zone axes in a wide range of simple fcc materials, including CdTe, pure Ni and pure Al. Using electron diffraction theory, we explain these intensities and show that our calculated intensities of projected higher-order Laue zone reflections as a function of deviation from their Bragg conditions match well with the observed intensities, proving that these intensities are universal in these fcc materials. Finally, we provide a framework for determining the nature and location of diffuse intensities that could indicate the presence of short-range order or medium-range order.

摘要

在具有高原子级复杂度的样品中,解释电子衍射图谱中的漫散射强度可能具有挑战性,多主元合金通常就是这种情况。例如,简单面心立方(fcc)和相关合金的电子衍射图谱中的漫散射强度归因于短程有序、中程有序或各种不同的 {111} 面缺陷,包括薄孪晶、薄六方密堆积层、杆状孪晶和不完全 ABC 堆垛。在这里,我们证明了这些漫散射强度中的许多强度,包括 ⟨111⟩ 和 ⟨112⟩ 选区衍射图谱中的 [Formula: see text]{422} 和 [Formula: see text]{311},分别归因于高阶劳厄区的反射。我们在包括 CdTe、纯 Ni 和纯 Al 在内的广泛的简单 fcc 材料的许多不同晶带轴上都观察到了类似的特征。利用电子衍射理论,我们解释了这些强度,并表明我们计算的高阶劳厄区反射的投影强度与偏离布拉格条件的函数关系与观察到的强度非常吻合,证明了这些强度在这些 fcc 材料中是普遍存在的。最后,我们提供了一种确定漫散射强度的性质和位置的框架,这些漫散射强度可能表明存在短程有序或中程有序。

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