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11 items found (0 items not approved), displaying 1 to 10.[First/Prev] 1, 2 [Next/Last]

Instruments / Technical Area	Publication Details	Published
I12-JEEP: Joint Engineering, Environmental and Processing	A scalable neural network architecture for self-supervised tomographic image reconstruction Hongyang Dong , Simon D. M. Jacques , Winfred Kockelmann , Stephen W. T. Price , Robert Emberson , Dorota Matras , Yaroslav I. Odarchenko , Vesna Middelkoop , Athanasios Giokaris , Olof Gutowski , Ann-Christin Dippel , Martin Von Zimmermann , Andrew M. Beale , Keith T. Butler , Antonios Vamvakeros Digital Discovery 2 DOI: 10.1039/D2DD00105E Open Access Show Abstract ▼ Abstract: We present a lightweight and scalable artificial neural network architecture which is used to reconstruct a tomographic image from a given sinogram. A self-supervised learning approach is used where the network iteratively generates an image that is then converted into a sinogram using the Radon transform; this new sinogram is then compared with the sinogram from the experimental dataset using a combined mean absolute error and structural similarity index measure loss function to update the weights of the network accordingly. We demonstrate that the network is able to reconstruct images that are larger than 1024 × 1024. Furthermore, it is shown that the new network is able to reconstruct images of higher quality than conventional reconstruction algorithms, such as the filtered back projection and iterative algorithms (SART, SIRT, CGLS), when sinograms with angular undersampling are used. The network is tested with simulated data as well as experimental synchrotron X-ray micro-tomography and X-ray diffraction computed tomography data.	Jun 2023
	Emerging chemical heterogeneities in a commercial 18650 NCA Li-ion battery during early cycling revealed by synchrotron X-ray diffraction tomography D. Matras , T. E. Ashton , H. Dong , M. Mirolo , I. Martens , J. Drnec , J. A. Darr , P. D. Quinn , S. D. M. Jacques , A. M. Beale , A. Vamvakeros Journal Of Power Sources 539 DOI: 10.1016/j.jpowsour.2022.231589 Show Abstract ▼ Abstract: Synchrotron X-ray diffraction computed tomography (XRD-CT) was employed to study a commercial 18650 cylindrical LiNi0.8Co0.15Al0.5O2 (NCA) battery under operating conditions and during seven cycles. The analysis of the spatially-resolved diffraction patterns revealed multiple chemical heterogeneities related to the lithium distribution in both the cathode and the anode. It is shown that during the charging of the battery, the anode exhibits different degrees of activity regarding the lithiation process. Explicitly, the following three regions were identified: a uniform/homogenous lithiation, a delayed lithiation and an inactive-to-lithiation region. The inactive-to-lithiation anode region was a result of the specific cell geometry (i.e. due to lack of cathode tape opposite these anode areas) and throughout the cycling experiments remained present in the form of LiC30-30+. The delayed lithiation region was seen to have a direct impact on the properties of NCA in its close proximity during the battery discharging, preventing its full lithiation. Further to this, the aluminum tab negatively affected the NCA in direct contact with it, leading to different lattice parameter a and c evolution compared to the rest of the cathode.	Aug 2022
B07-C-Versatile Soft X-ray beamline: Ambient Pressure XPS and NEXAFS	Following Cu microstructure evolution in CuZnO/Al2O3(−Cs) catalysts during activation in H2 using in situ XRD and XRD-CT Daniela M. Farmer , Simon D. M. Jacques , David Waller , Sara Boullosa Eiras , Kanak Roy , Georg Held , Gopinathan Sankar , Andrew M. Beale Chemistry–methods 6 DOI: 10.1002/cmtd.202200015 Open Access Show Abstract ▼ Abstract: Understanding how the microstructure of the active Cu0 component in the commercially applicable Cu/ZnO/Al2O3(−Cs2O) low-temperature water-gas shift catalyst evolves under various H2 partial pressures in the presence/absence of a Cs promoter during thermal activation has been investigated. Time-resolved XRD and spatially-resolved XRD-CT data were measured as a function of H2 concentration along a packed bed reactor to elucidate the importance of the zincite support and the effect of the promoter on Cu sintering mechanisms, dislocation character and stacking fault probability. The rate of Cu reduction showed a dependency on [Cs], [H2] and bed height; lower [Cs] and higher [H2] led to a greater rate of metallic copper nanoparticle formation. A deeper analysis of the XRD line profiles allowed for determining a greater edge character to the dislocations and subsequent stacking fault probability was also observed to depend on higher [H2], smaller Cu0 (and ZnO) crystallite sizes, increased [ZnO] (30 wt.%, sCZA) and lower temperature. The intrinsic activity of Cu/ZnO/Al2O3 methanol synthesis catalysts has been intimately linked to the anisotropic behaviour of copper, and thus the presence of lattice defects; to the best knowledge of the authors, this study is the first instance in which this type of analysis has been applied to LT-WGS catalysts.	Aug 2022
I12-JEEP: Joint Engineering, Environmental and Processing	Cycling rate-induced spatially-resolved heterogeneities in commercial cylindrical Li-ion batteries Antonios Vamvakeros , Dorota Matras , Thomas E. Ashton , Alan A. Coelho , Hongyang Dong , Dustin Bauer , Yaroslav Odarchenko , Stephen W. T. Price , Keith T. Butler , Olof Gutowski , Ann-Christin Dippel , Martin Von Zimmerman , Jawwad Darr , Simon D. M. Jacques , Andrew M. Beale Small Methods 33 DOI: 10.1002/smtd.202100512 Open Access Show Abstract ▼ Abstract: Synchrotron high-energy X-ray diffraction computed tomography has been employed to investigate, for the first time, commercial cylindrical Li-ion batteries electrochemically cycled over the two cycling rates of C/2 and C/20. This technique yields maps of the crystalline components and chemical species as a cross-section of the cell with high spatiotemporal resolution (550 × 550 images with 20 × 20 × 3 µm3 voxel size in ca. 1 h). The recently developed Direct Least-Squares Reconstruction algorithm is used to overcome the well-known parallax problem and led to accurate lattice parameter maps for the device cathode. Chemical heterogeneities are revealed at both electrodes and are attributed to uneven Li and current distributions in the cells. It is shown that this technique has the potential to become an invaluable diagnostic tool for real-world commercial batteries and for their characterization under operating conditions, leading to unique insights into “real” battery degradation mechanisms as they occur.	Aug 2021
I18-Microfocus Spectroscopy	Real-time multi-length scale chemical tomography of fixed bed reactors during the oxidative coupling of methane reaction Antonios Vamvakeros , Dorota Matras , Simon D. M. Jacques , Marco Di Michiel , Stephen W. T. Price , Pierre Senecal , Miren Agote Aran , Vesna Middelkoop , Gavin B. G. Stenning , J. Frederick W. Mosselmans , Ilyas Z. Ismagilov , Andrew M. Beale Journal Of Catalysis 386, 39 - 52 DOI: 10.1016/j.jcat.2020.03.027 Diamond Proposal Number(s): [14525] Show Abstract ▼ Abstract: In this work, we present the results from multi-length-scale studies of a Mn-Na-W/SiO2 and a La-promoted Mn-Na-W/SiO2 catalyst during the oxidative coupling of methane reaction. The catalysts were investigated from the reactor level (mm scale) down to the single catalyst particle level (μm scale) with different synchrotron X-ray chemical computed tomography techniques (multi-modal chemical CT experiments). These operando spatially-resolved studies performed with XRD-CT (catalytic reactor) and multi-modal μ-XRF/XRD/absorption CT (single catalyst particle) revealed the multiple roles of the La promoter and how it provides the enhancement in catalyst performance. It is also shown that non-crystalline Mn species are part of the active catalyst component rather than crystalline Mn2O3/Mn7SiO12 or MnWO4.	Jun 2020
B18-Core EXAFS	Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane Antonios Vamvakeros , Dorota Matras , Simon D. M. Jacques , Marco Di Michiel , Vesna Middelkoop , Peixi Cong , Stephen W. T. Price , Craig Bull , Pierre Senecal , Andrew Beale Catalysis Today DOI: 10.1016/j.cattod.2020.05.045 Show Abstract ▼ Abstract: Catalytic membrane reactors have the potential to render the process of oxidative coupling of methane economically viable. Here, the results from operando XRD-CT studies of three different catalytic membrane reactors, employing BaCo0.4Fe0.4Zr0.2O3-δ (BCFZ) and La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) perovskite membranes with Mn-Na-W/SiO2 and La-promoted Mn-Na-W/SiO2 catalysts, are presented. It is shown that synchrotron X-ray tomographic diffraction imaging allows the extraction of spatially-resolved diffraction information from the interior of these working catalytic membrane reactors and makes it possible to capture the evolving solid-state chemistry of their components under various operating conditions (i.e. temperature and chemical environment).	May 2020
I18-Microfocus Spectroscopy	X-ray physico-chemical imaging during activation of cobalt-based Fischer–Tropsch synthesis catalysts Andrew M. Beale , Simon D. M. Jacques , Marco Di Michiel , J. Frederick W. Mosselmans , Stephen W. T. Price , Pierre Senecal , Antonios Vamvakeros , James Paterson Philosophical Transactions Of The Royal Society A: Mathematical, physical And Engineering Sciences 376 DOI: 10.1098/rsta.2017.0057 Diamond Proposal Number(s): [13939, 14440] Open Access Show Abstract ▼ Abstract: The imaging of catalysts and other functional materials under reaction conditions has advanced significantly in recent years. The combination of the computed tomography (CT) approach with methods such as X-ray diffraction (XRD), X-ray fluorescence (XRF) and X-ray absorption near-edge spectroscopy (XANES) now enables local chemical and physical state information to be extracted from within the interiors of intact materials which are, by accident or design, inhomogeneous. In this work, we follow the phase evolution during the initial reduction step(s) to form Co metal, for Co-containing particles employed as Fischer–Tropsch synthesis (FTS) catalysts; firstly, working at small length scales (approx. micrometre spatial resolution), a combination of sample size and density allows for transmission of comparatively low energy signals enabling the recording of ‘multimodal’ tomography, i.e. simultaneous XRF–CT, XANES–CT and XRD–CT. Subsequently, we show high-energy XRD–CT can be employed to reveal extent of reduction and uniformity of crystallite size on millimetre-sized TiO2 trilobes. In both studies, the CoO phase is seen to persist or else evolve under particular operating conditions and we speculate as to why this is observed.	Nov 2017
I15-Extreme Conditions	A synchrotron X-ray diffraction deconvolution method for the measurement of residual stress in thermal barrier coatings as a function of depth C. Li , S. D. M. Jacques , Y. Chen , D. Daisenberger , P. Xiao , N. Markocsan , P. Nylen , R. J. Cernik Journal Of Applied Crystallography 49 DOI: 10.1107/S1600576716013935 Diamond Proposal Number(s): [12206] Open Access Show Abstract ▼ Abstract: The average residual stress distribution as a function of depth in an air plasma-sprayed yttria stabilized zirconia top coat used in thermal barrier coating (TBC) systems was measured using synchrotron radiation X-ray diffraction in reflection geometry on station I15 at Diamond Light Source, UK, employing a series of incidence angles. The stress values were calculated from data deconvoluted from diffraction patterns collected at increasing depths. The stress was found to be compressive through the thickness of the TBC and a fluctuation in the trend of the stress profile was indicated in some samples. Typically this fluctuation was observed to increase from the surface to the middle of the coating, decrease a little and then increase again towards the interface. The stress at the interface region was observed to be around 300 MPa, which agrees well with the reported values. The trend of the observed residual stress was found to be related to the crack distribution in the samples, in particular a large crack propagating from the middle of the coating. The method shows promise for the development of a nondestructive test for as-manufactured samples.	Dec 2016
I12-JEEP: Joint Engineering, Environmental and Processing	Full-field energy-dispersive powder diffraction imaging using laboratory X-rays Christopher Egan , Simon Jacques , Matthew Wilson , Matt Veale , Paul Seller , Philip Withers , Robert Cernik Journal Of Applied Crystallography 48, 269 - 272 DOI: 10.1107/S1600576715000801 Diamond Proposal Number(s): [5897] Show Abstract ▼ Abstract: A laboratory instrument with the ability to spatially resolve energy-dispersed X-ray powder diffraction patterns taken in a single snapshot has been developed. The experimental arrangement is based on a pinhole camera coupled with a pixelated spectral X-ray detector. Collimation of the diffracted beam is defined by the area of the footprint of a detector pixel and the diameter of the pinhole aperture. Each pixel in the image, therefore, contains an energy- dispersed powder diffraction pattern. This new X-ray imaging technique enables spatial mapping of crystallinity, crystalline texture or crystalline phases from within a sample. Validation of the method has been carried out with a back-to-back comparison with crystalline texture mapping local to a friction stir weld in an aluminium alloy taken using synchrotron radiation.	Feb 2015
I12-JEEP: Joint Engineering, Environmental and Processing	Dark-field hyperspectral X-ray imaging Christopher K. Egan , Simon D. M. Jacques , Thomas Connolley , Matthew D. Wilson , Matthew C. Veale , Paul Seller , Robert J. Cernik Proceedings Of The Royal Society A: Mathematical, Physical And Engineering Sciences 470 (2165), 20130629 - 20130629 DOI: 10.1098/rspa.2013.0629 PMID: 24808753 Diamond Proposal Number(s): [5897] Open Access Show Abstract ▼ Abstract: In recent times, there has been a drive to develop non-destructive X-ray imaging techniques that provide chemical or physical insight. To date, these methods have generally been limited; either requiring raster scanning of pencil beams, using narrow bandwidth radiation and/or limited to small samples. We have developed a novel full-field radiographic imaging technique that enables the entire physio-chemical state of an object to be imaged in a single snapshot. The method is sensitive to emitted and scattered radiation, using a spectral imaging detector and polychromatic hard X-radiation, making it particularly useful for studying large dense samples for materials science and engineering applications. The method and its extension to three-dimensional imaging is validated with a series of test objects and demonstrated to directly image the crystallographic preferred orientation and formed precipitates across an aluminium alloy friction stir weld section.	Feb 2014

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