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Microstructure is key to controlling and understanding the properties of metallic materials, but traditional approaches to describing microstructure capture only a small number of features. To enable data-centric approaches to materials discovery, allow efficient storage of microstructural data and assist in quality control in metals processing, we require more complete descriptors of microstructure. The concept of microstructural fingerprinting, using machine learning (ML) to develop quantitative, low-dimensional descriptors of microstructures, has recently attracted significant attention. However, it is difficult to interpret conclusions drawn by ML algorithms, which are commonly referred to as "black boxes". Here we explore variational autoencoders (VAEs), which can be trained to produce microstructural fingerprints in a continuous latent space. VAEs enable the reconstruction of images from fingerprints, allowing us to explore how key features of microstructure are encoded. We develop a VAE architecture based on ResNet18 and train it on Ti-6Al-4V optical micrographs as an example of an industrially important alloy where microstructural control is critical to performance. The latent space is explored in several ways, including by supplying interpolated and randomly perturbed fingerprints to the trained decoder and via dimensionality reduction to explore the distribution of microstructural features within the latent space of fingerprints. We show that the VAE fingerprints exhibit smooth, interpolable behaviour with stability to local perturbations, supporting their suitability as general purpose descriptors for microstructure. We also show that key properties of the microstructures are strongly correlated with position in the latent space, supporting the use of VAE fingerprints for quantitative exploration of process-structure-property relationships.

Finding efficient means of fingerprinting microstructural information is a critical step towards harnessing data-centric machine learning approaches. A statistical framework is systematically developed for compressed characterisation of a population of images, which includes some classical computer vision methods as special cases. The focus is on materials microstructure. The ultimate purpose is to rapidly fingerprint sample images in the context of various high-throughput design/make/test scenarios. This includes, but is not limited to, quantification of the disparity between microstructures for quality control, classifying microstructures, predicting materials properties from image data and identifying potential processing routes to engineer new materials with specific properties. Here, we consider microstructure classification and utilise the resulting features over a range of related machine learning tasks, namely supervised, semi-supervised, and unsupervised learning. The approach is applied to two distinct datasets to illustrate various aspects and some recommendations are made based on the findings. In particular, methods that leverage transfer learning with convolutional neural networks (CNNs), pretrained on the ImageNet dataset, are generally shown to outperform other methods. Additionally, dimensionality reduction of these CNN-based fingerprints is shown to have negligible impact on classification accuracy for the supervised learning approaches considered. In situations where there is a large dataset with only a handful of images labelled, graph-based label propagation to unlabelled data is shown to be favourable over discarding unlabelled data and performing supervised learning. In particular, label propagation by Poisson learning is shown to be highly effective at low label rates.

Point by point strain scanning is often used to map the residual stress (strain) in engineering materials and components. However, the gauge volume and hence spatial resolution is limited by the beam defining apertures and can be anisotropic for very low and high diffraction (scattering) angles. Alternatively, wavelength resolved neutron transmission imaging has a potential to retrieve information tomographically about residual strain induced within materials through measurement in transmission of Bragg edges - crystallographic fingerprints whose locations and shapes depend on microstructure and strain distribution. In such a case the spatial resolution is determined by the geometrical blurring of the measurement setup and the detector point spread function. Mathematically, reconstruction of strain tensor field is described by the longitudinal ray transform; this transform has a non-trivial null-space, making direct inversion impossible. A combination of the longitudinal ray transform with physical constraints was used to reconstruct strain tensor fields in convex objects. To relax physical constraints and generalise reconstruction, a recently introduced concept of histogram tomography can be employed. Histogram tomography relies on our ability to resolve the distribution of strain in the beam direction, as we discuss in the paper. More specifically, Bragg edge strain tomography requires extraction of the second moment (variance about zero) of the strain distribution which has not yet been demonstrated in practice. In this paper we verify experimentally that the second moment can be reliably measured for a previously well characterised aluminium ring and plug sample. We compare experimental measurements against numerical calculation and further support our conclusions by rigorous uncertainty quantification of the estimated mean and variance of the strain distribution.

Here we apply hyperspectral bright field imaging to collect computed tomographic images with excellent energy resolution (800 eV), applying it for the first time to map the distribution of stain in a fixed biological sample through its characteristic K-edge. Conventionally, because the photons detected at each pixel are distributed across as many as 200 energy channels, energy-selective images are characterised by low count-rates and poor signal-to-noise ratio. This means high X-ray exposures, long scan times and high doses are required to image unique spectral markers. Here, we achieve high quality energy-dispersive tomograms from low dose, noisy datasets using a dedicated iterative reconstruction algorithm. This exploits the spatial smoothness and inter-channel structural correlation in the spectral domain using two carefully chosen regularisation terms. For a multi-phase phantom, a reduction in scan time of 36 times is demonstrated. Spectral analysis methods including K-edge subtraction and absorption step-size fitting are evaluated for an ex vivo, single (iodine)-stained biological sample, where low chemical concentration and inhomogeneous distribution can affect soft tissue segmentation and visualisation. The reconstruction algorithms are available through the open-source Core Imaging Library. Taken together, these tools offer new capabilities for visualisation and elemental mapping, with promising applications for multiply-stained biological specimens., Comment: 13 pages, 5 figures

The damage mechanisms and load redistribution of high strength TC17 titanium alloy/unidirectional SiC fibre composite (fibre diameter = 100 $\mu$m) under high temperature (350 {\deg}C) fatigue cycling have been investigated in situ using synchrotron X-ray computed tomography (CT) and X-ray diffraction (XRD) for high cycle fatigue (HCF) under different stress amplitudes. The three-dimensional morphology of the crack and fibre fractures has been mapped by CT. During stable growth, matrix cracking dominates with the crack deflecting (by 50-100 $\mu$m in height) when bypassing bridging fibres. A small number of bridging fibres have fractured close to the matrix crack plane especially under relatively high stress amplitude cycling. Loading to the peak stress led to rapid crack growth accompanied by a burst of fibre fractures. Many of the fibre fractures occurred 50-300 $\mu$m from the matrix crack plane during rapid growth, in contrast to that in the stable growth stage, leading to extensive fibre pull-out on the fracture surface. The changes in fibre loading, interfacial stress, and the extent of fibre-matrix debonding in the vicinity of the crack have been mapped for the fatigue cycle and after the rapid growth by high spatial resolution XRD. The fibre/matrix interfacial sliding extends up to 600 $\mu$m (in the stable growth zone) or 700 $\mu$m (in the rapid growth zone) either side of the crack plane. The direction of interfacial shear stress reverses with the loading cycle, with the maximum frictional sliding stress reaching ~55 MPa in both the stable growth and rapid growth regimes.

Time-of-flight neutron imaging offers complementary attenuation contrast to X-ray computed tomography (CT), coupled with the ability to extract additional information from the variation in attenuation as a function of neutron energy (time of flight) at every point (voxel) in the image. In particular Bragg edge positions provide crystallographic information and therefore enable the identification of crystalline phases directly. Here we demonstrate Bragg edge tomography with high spatial and spectral resolution. We propose a new iterative tomographic reconstruction method with a tailored regularisation term to achieve high quality reconstruction from low-count data, where conventional filtered back-projection (FBP) fails. The regularisation acts in a separated mode for spatial and spectral dimensions and favours characteristic piece-wise constant and piece-wise smooth behaviour in the respective dimensions. The proposed method is compared against FBP and a state-of-the-art regulariser for multi-channel tomography on a multi-material phantom. The proposed new regulariser which accommodates specific image properties outperforms both conventional and state-of-the-art methods and therefore facilitates Bragg edge fitting at the voxel level. The proposed method requires significantly shorter exposure to retrieve features of interest. This in turn facilitates more efficient usage of expensive neutron beamline time and enables the full utilisation of state-of-the-art high resolution detectors.

The newly developed Core Imaging Library (CIL) is a flexible plug and play library for tomographic imaging with a specific focus on iterative reconstruction. CIL provides building blocks for tailored regularised reconstruction algorithms and explicitly supports multichannel tomographic data. In the first part of this two-part publication, we introduced the fundamentals of CIL. This paper focuses on applications of CIL for multichannel data, e.g., dynamic and spectral. We formalise different optimisation problems for colour processing, dynamic and hyperspectral tomography and demonstrate CIL's capabilities for designing state of the art reconstruction methods through case studies and code snapshots.

We present the Core Imaging Library (CIL), an open-source Python framework for tomographic imaging with particular emphasis on reconstruction of challenging datasets. Conventional filtered back-projection reconstruction tends to be insufficient for highly noisy, incomplete, non-standard or multi-channel data arising for example in dynamic, spectral and in situ tomography. CIL provides an extensive modular optimisation framework for prototyping reconstruction methods including sparsity and total variation regularisation, as well as tools for loading, preprocessing and visualising tomographic data. The capabilities of CIL are demonstrated on a synchrotron example dataset and three challenging cases spanning golden-ratio neutron tomography, cone-beam X-ray laminography and positron emission tomography., Comment: 22 pages, 11 figures

In this paper we present a new two-level iterative algorithm for tomographic image reconstruction. The algorithm uses a regularization technique, which we call edge-preserving Laplacian, that preserves sharp edges between objects while damping spurious oscillations in the areas where the reconstructed image is smooth. Our numerical simulations demonstrate that the proposed method outperforms total variation (TV) regularization and it is competitive with the combined TV-L2 penalty. Obtained reconstructed images show increased signal-to-noise ratio and visually appealing structural features. Computer implementation and parameter control of the proposed technique is straightforward, which increases the feasibility of it across many tomographic applications. In this paper, we applied our method to the under-sampled computed tomography (CT) projection data and also considered a case of reconstruction in emission tomography The MATLAB code is provided to support obtained results., Comment: 16 pages, 11 figures