Atomically ordered solute segregation behaviour in an oxide grain boundary

Feng, Bin; Yokoi, Takeshi; Kumamoto, Akihito; Yoshiya, Masato; Ikuhara, Yuichi; Shibata, Naoya

doi:10.1038/ncomms11079

Cited by 111 publications

(84 citation statements)

References 29 publications

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“…Thus, we experimentally found that Y solute segregation formed atomically ordered extended structures across the GB within a range of approximately 3 nm. These experimental results are in good agreement with large-scale Monte Carlo simulations [39]. The simulation suggested that such processes can be driven by both the site-dependent segregation of Y due to strain and Y-V O interactions.…”

Section: Solute Segregation Behavior Of a P 3 Grain Boundary In Yttrisupporting

confidence: 84%

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Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informatics

et al. 2018

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Interfaces dramatically affect the properties of materials because their atomic configurations often differ from the bulk material. A determination of the atomic structure of the interface is, therefore, one of the most significant tasks in materials research. Electron microscopy and theoretical calculations have been effectively used to accomplish this important task. In addition, an informatics approach has recently been combined with theoretical calculations to efficiently determine the atomic structures of interfaces. This chapter introduces the determination of interface structures using an informatics approach (Bayesian optimization and virtual screening) along with advanced electron microscopy. In the informatics approach, calculation acceleration on the order of 10 6 can be achieved. Determination of the interface structure with resolution better than ∼45 pm is now possible using advanced electron microscopy. In this way, nanostructures at grain boundaries and heterointerfaces can be qualified. We will introduce these state of the art methods to investigate nanostructures.

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Section: Solute Segregation Behavior Of a P 3 Grain Boundary In Yttrisupporting

confidence: 84%

“…One is on the solute segregation in a GB of ceramics [39] and the other is on the impurity segregation in a metal/ceramic heterointerface [40]. These studies demonstrate that atomic-resolution STEM is a powerful tool for directly understanding very complex segregation phenomena in materials.…”

Section: Interface Structures Using Aberration-corrected Stemmentioning

confidence: 88%

Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informatics

et al. 2018

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“…Conversely, X-ray energy-dispersive spectroscopy (EDS) only measures the elemental composition, and requires exposing a specimen to a vast amount of electrons in order to produce enough signal to extract atomic-resolution information. Nevertheless, some excellent highresolution EDS maps of small areas have been created, of materials such as oxides (Feng et al, 2016;Dycus et al, 2016;D'Alfonso et al 2010), semiconductors (Chu et al, 2010;Klenov and Zide, 2011) and magnetic alloys (Lu et al, 2014a). STEM-EELS is the ideal technique only for an ideal specimen; that is a thin, non-contaminating specimen with no carbon or SiN supports (as these elements would give huge background signals that complicate spectrum analysis).…”

Section: Introductionmentioning

confidence: 99%

Atomic-resolution chemical mapping of ordered precipitates in Al alloys using energy-dispersive X-ray spectroscopy

Wenner

Jones

Marioara

et al. 2017

Micron

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Scanning transmission electron microscopy (STEM) coupled with energy-dispersive X-ray spectroscopy (EDS) is a common technique for chemical mapping in thin samples. Obtaining high-resolution elemental maps in the STEM is jointly dependent on stepping the sharply focused electron probe in a precise raster, on collecting a significant number of characteristic X-rays over time, and on avoiding damage to the sample. In this work, 80 kV aberration-corrected STEM-EDS mapping was performed on ordered precipitates in aluminium alloys. Probe and sample instability problems are handled by acquiring series of annular dark-field (ADF) images and simultaneous EDS volumes, which are aligned and non-rigidly registered after acquisition. The summed EDS volumes yield elemental maps of Al, Mg, Si, and Cu, with sufficient resolution and signal-to-noise ratio to determine the elemental species of each atomic column in a periodic structure, and in some cases the species of single atomic columns. Within the uncertainty of the technique, S and β'' phases were found to have pure elemental atomic columns with compositions Al 2 CuMg and Al 2 Mg 5 Si 4 , respectively. The Q' phase showed some variation in chemistry across a single precipitate, although the majority of unit cells had a composition Al 6 Mg 6 Si 7.2 Cu 2 .

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“…Experiments have revealed a potentially important role of grain boundary (GB) phase transitions (sometimes referred to as ''complexion transitions" [1,2]) in abnormal grain growth in ceramics [2], activated sintering [3] and liquid metal embrittlement [4]. Layering transitions associated with GB segregation were investigated using lattice gas models [5,6], first-principles calculations [7] as well as advanced electron microscopy and spectroscopy methods [8][9][10]. Experimental investigation of the potential impact of GB phase transitions on microstructure and other materials properties is currently a highly active area of research [1,4,[11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Phase transformations at interfaces: Observations from atomistic modeling

Frolov

Asta

2016

Current Opinion in Solid State and Materials Science

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a b s t r a c tWe review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from such simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.

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Atomically ordered solute segregation behaviour in an oxide grain boundary

Cited by 111 publications

References 29 publications

Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informatics

Atomic-Scale Nanostructures by Advanced Electron Microscopy and Informatics

Atomic-resolution chemical mapping of ordered precipitates in Al alloys using energy-dispersive X-ray spectroscopy

Phase transformations at interfaces: Observations from atomistic modeling

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