I22-Small angle scattering & Diffraction
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Diamond Proposal Number(s):
[39895]
Abstract: A hierarchical additive framework is developed for the quantitative interpretation of X-ray scattering (SAXS) from lamellar crystalline materials. The formulation extends the classical decomposition I(q) = P(q)S(q), with I(q) the scattering intensity, P(q) the form factor, and S(q) the structure factor, by explicitly coupling the contributions of three structural regimes: low-q power-law (fractal-like) aggregation, intermediate-q Guinier curvature arising from finite nanocrystal dimensions, and high-q Bragg reflections associated with lamellar periodicity. Each regime is expressed analytically and linked through shared structural parameters, ensuring physical consistency across length scales. The scattering intensity is interpreted as the Fourier transform of the electron-density correlation function, following Debye’s original formulation (Debye, 1915), which naturally accommodates cross-correlations between internal morphology and interparticle organization. Simulated scattering profiles illustrate how parameter variations influence the overall signature, and the model is applied to synchrotron SAXS data from cocoa-butter triacylglycerols to demonstrate practical fitting performance. The resulting approach provides a compact and physically rigorous description of hierarchical lamellar systems and offers a generalizable framework for complex materials in which form and structure factors cannot be treated independently.
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Mar 2026
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Open Access
Abstract: STEM-EELS is a powerful quantitative technique for catalyst characterisation that allows composition to be studied at high spatial resolution. Collection of EELS signal on CCD detectors has limited the technique’s utility at higher energy losses due to high readout noise masking the low signal. New direct electron detectors for EELS remove the problem of readout noise and allow for reliable signals to be detected for more elements. We show data collected on PtCo nanoparticles with a direct electron EELS detector which allows for atomic resolution chemical mapping of Pt and Co.
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Feb 2026
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Hélène
Ginestet
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Rachel J.
Husband
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Nicolas
Jaisle
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Eric
Edmund
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Zuzana
Konôpková
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Cornelius
Strohm
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Madden S.
Anae
,
Daniele
Antonangeli
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Karen
Appel
,
Orianna B.
Ball
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Marzena
Baron
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Silvia
Boccato
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Khachiwan
Buakor
,
Julien
Chantel
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Hyunchae
Cynn
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Anand P.
Dwivedi
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Heinz
Graafsma
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Egor
Koemets
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Torsten
Laurus
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Hauke
Marquardt
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Bernhard
Massani
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James D.
Mchardy
,
Malcolm I.
Mcmahon
,
Vitali
Prakapenka
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Jolanta
Sztuk-Dambietz
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Minxue
Tang
,
Tianqi
Xie
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Zena
Younes
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Ulf
Zastrau
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Alexander F.
Goncharov
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Clemens
Prescher
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Agnes
Dewaele
,
R. Stewart
Mcwilliams
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Guillaume
Morard
,
Sébastien
Merkel
Open Access
Abstract: The development of pulsed intense x-ray sources, such as free electron laser, offers new avenues for high pressure experiments. Here, we study the feasibility and metrology of x-ray heating in diamond anvil cells at the European x-ray free electron laser. This method enables one to volumetrically heat the sample while inhibiting chemical migration and probing the crystallographic structure of the sample throughout the heating with a high repetition rate. We focus our study on iron, whose phase diagram is well established up to 100 GPa, to explore the possibilities and limitations of this technique. We volumetrically heat iron samples at starting pressures ranging from 10 to 138 GPa, using the x-ray beam pulsed at 4.5 MHz in a serial pump-and-probe experimental design. Experimental challenges arise from temperature gradients within the sample, changes in temperature at the 100 ns timescale, the difficulty of direct temperature estimates, the effect of thermal pressure, and the presence of metastable crystallites due to rapid cycles of heating and cooling. Hence, we develop a multi-crystal-like data processing method that allows us to account for sample heterogeneity in probed conditions. We then calibrate our measurements using known physical properties of iron under pressure. Thermal pressure in our experiments increases from 4% of the isochoric prediction at 10 GPa to 23% at 138 GPa, and we show that our data are in agreement with most previous observations of iron in this pressure range. The method can now be implemented at higher pressures and temperatures and on materials with unknown phase diagrams.
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Jan 2026
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E02-JEM ARM 300CF
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Evan David Innes
Tillotson
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William
Thornley
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William
Talbott
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Alexander S.
Eggeman
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Daria
Kriuchkova
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Sam
Sullivan-Allsop
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Matthew
Smith
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Xuzhao
Liu
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Ashley
Slattery
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Pei Lay
Yap
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Dusan
Losic
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Zhun
Xu
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Huan
Wang
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Jim
Ciston
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Alexander
Rakowski
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Stephanie M.
Ribet
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Benjamin H
Savitzky
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Manfred Erwin
Schuster
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Christopher S.
Allen
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Danielle
Douglas-Henry
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Valeria
Nicolosi
,
Andrew
Herzing
,
Jacques
O'Connell
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Ezra J.
Olivier
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Jan
Neethling
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Yichao
Zou
,
Ercin Cagan
Duran
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Rongsheng
Cai
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Duc-The
Ngo
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Roman
Gorbachev
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Jonas
Haas
,
Michael
Schlegel
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Jannik C.
Meyer
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Alba
Centeno
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Amaia
Pesquera
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Amaia
Zurutuza
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Sungsu
Kang
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Jungwon
Park
,
Ivan
Erofeev
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Utkur
Mirsaidov
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Colin
Ophus
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Christian
Rentenberger
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Thomas
Waitz
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Jani
Kotakoski
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Abhijit
Roy
,
Raul
Arenal
,
Andrew
Pollard
,
Sarah
Haigh
Diamond Proposal Number(s):
[29951]
Open Access
Abstract: Standardisation of data collection and analysis is essential to enable commercialisation of 2D materials in a wide range of technologies. Selected area electron diffraction (SAED) in the transmission electron microscope (TEM) is one of the key methods for distinguishing monolayer from bilayer and few-layer graphene by comparing the 1st and 2nd order diffraction spot intensities. Yet there are many factors that can affect the reliability of data collection and interpretation, causing the measurement of monolayer samples to deviate from the literature boundary condition of I{-2110}/I{1-100}<1 for monolayer graphene. Here we present the results of a large interlaboratory SAED comparison study, where 15 international laboratories measured and analysed nominally identical samples of chemical vapour deposited (CVD) graphene. Large variations were observed in the measured ratios of diffraction spot intensities, with the largest variance associated with poor quality SAED data resulting from poor specimen handling and storage. To inform the reliable determination of monolayer thickness from SAED patterns we provide a description of best practice for specimen handling, TEM operation, data collection and analysis. This work was undertaken within VAMAS Technical Working Area (TWA) 41: Graphene and related 2D materials - Project 9, the results of which have been directly incorporated into ISO/TS 21356-2 for the characterisation of graphene sheets. We find that when this methodology is followed, monolayer graphene can be distinguished from bilayer or thicker material with high confidence where analysis of a single SAED pattern gives I{-2110}/I{1-100}<1.2, even in the absence of precise specimen tilting.
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Dec 2025
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I21-Resonant Inelastic X-ray Scattering (RIXS)
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Diamond Proposal Number(s):
[38040]
Open Access
Abstract: Altermagnets, a unique class of magnetic materials that combines features of both ferromagnets and antiferromagnets, have garnered attention for their potential in spintronics and magnonics. While the electronic properties of altermagnets have been well studied, characterizing their magnon excitations is essential for fully understanding their behavior and enabling practical device applications. In this work, we introduce a measurement protocol combining resonant inelastic X-ray scattering with circular polarization and azimuthal scanning to probe the chiral nature of the altermagnetic split magnon modes in CrSb. This approach circumvents the challenges posed by domain averaging in macroscopic samples, allowing for precise measurements of the polarization and energy of the magnons in individual antiferromagnetic domains. Our findings demonstrate a pronounced circular dichroism in the magnon peaks, with an azimuthal dependence that is consistent with the theoretical predictions and the g-wave symmetry. By establishing a reliable and accessible method for probing altermagnetic magnons, this work opens new avenues for fundamental studies of these collective excitations and for developing next-generation magnonic device applications.
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Oct 2025
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Jingjing
Zhao
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Chen
Huang
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Ali
Mostaed
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Amirafshar
Moshtaghpour
,
James M.
Parkhurst
,
Ivan
Lobato
,
Marcus
Gallagher-Jones
,
Judy S.
Kim
,
Mark
Boyce
,
David
Stuart
,
Elena A.
Andreeva
,
Jacques-Philippe
Colletier
,
Angus I.
Kirkland
Open Access
Abstract: Exit wavefunction reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We demonstrate that the phase of the exit wave can be reconstructed to high resolution using a modified iterative phase retrieval algorithm from data collected in an alternative optical geometry. This method achieves a spatial resolution of 0.63 nm at a fluence of 4.5 × 102 e−/nm2, as validated on Cry11Aa protein crystals under cryogenic conditions. Notably, this method requires no instrumental modifications, is straightforward to implement, and can be seamlessly integrated with existing data collection software, providing a broadly accessible alternative approach for structural studies.
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Oct 2025
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DIAD-Dual Imaging and Diffraction Beamline
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Diamond Proposal Number(s):
[36759]
Open Access
Abstract: Dynamic imaging and mechanistical investigations are crucial in the development of new materials, in understanding degradation and offer significant opportunity across diverse areas of materials research. Here we demonstrate the integration of a sample corrosion environment with imaging through low energy neutrons and synchrotron X-rays, and demonstrate this using steel, which is commonly used in the oil and gas industries. The novel flow cell technology, incorporating three-electrodes to link corrosion with imaging (2D and 3D with neutrons and X-rays) is unique and operates in-situ overcoming limitations around manipulating the environment around the sample. The compact flow cell enabled imaging of thin films of a few microns thickness. The combination of imaging and diffraction data are useful to characterize the degradation mechanism qualitatively and quantitatively over time with 3D tomography used to provide visual and volumetric information on film growth, porosity and pitting position. This work demonstrates the unprecedented capability of the in-situ flow cell to conduct degradation studies and elucidate mechanisms in ways never before possible.
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Oct 2025
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Open Access
Abstract: We present serial electron diffraction with tilt (t-SerialED), a method for fast autonomous phase and structural analysis of beam-sensitive, nano-sized polycrystalline materials. Unlike traditional workflows collecting datasets crystal by crystal, t-SerialED acquires datasets using a batch-by-batch approach, which speeds up the data acquisition. t-SerialED combines robust indexing from 3D reciprocal space with still-shot integration and merging methods from serial crystallography. t-SerialED enables high-throughput analysis of beam-sensitive, multi-phase mixtures across a wide range of materials, from nanoporous frameworks to pharmaceutical compounds. By resolving key challenges in serial crystallography such as indexing and preferred orientation, this method enables precise structure determination, including the visualization of guest molecules and non-covalent interactions like hydrogen bonding and proton charge transfer. Demonstrated on a range of samples from nanoporous materials to pharmaceuticals, t-SerialED expands the capabilities of serial chemical crystallography from single-phase to complex multi-phase systems. It can become a complementary method to traditional crystallography methods, offering a robust solution for routine quantitative phase analysis and structure determination.
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Oct 2025
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I15-1-X-ray Pair Distribution Function (XPDF)
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Adam F.
Sapnik
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Philip A.
Chater
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Dean S.
Keeble
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John S. O.
Evans
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Federica
Bertolotti
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Antonietta
Guagliardi
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Lise J.
Støckler
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Elodie A.
Harbourne
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Anders B.
Borup
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Rebecca S.
Silberg
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Adrien
Descamps
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Clemens
Prescher
,
Benjamin D.
Klee
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Axel
Phelipeau
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Imran
Ullah
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Kárel G.
Medina
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Tobias A.
Bird
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Viktoria
Kaznelson
,
William
Lynn
,
Andrew L.
Goodwin
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Bo B.
Iversen
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Celine
Crepisson
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Emil S.
Bozin
,
Kirsten M. Ø.
Jensen
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Emma E.
Mcbride
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Reinhard B.
Neder
,
Ian
Robinson
,
Justin S.
Wark
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Michał
Andrzejewski
,
Ulrike
Boesenberg
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Erik
Brambrink
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Carolina
Camarda
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Valerio
Cerantola
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Sebastian
Goede
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Hauke
Höppner
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Oliver S.
Humphries
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Zuzana
Konopkova
,
Naresh
Kujala
,
Thomas
Michelat
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Motoaki
Nakatsutsumi
,
Alexander
Pelka
,
Thomas R.
Preston
,
Lisa
Randolph
,
Michael
Roeper
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Andreas
Schmidt
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Cornelius
Strohm
,
Minxue
Tang
,
Peter
Talkovski
,
Ulf
Zastrau
,
Karen
Appel
,
David A.
Keen
Diamond Proposal Number(s):
[39017]
Open Access
Abstract: High-quality total scattering data, a key tool for understanding atomic-scale structure in disordered materials, require stable instrumentation and access to high momentum transfers. This is now routine at dedicated synchrotron instrumentation using high-energy X-ray beams, but it is very challenging to measure a total scattering dataset in less than a few microseconds. This limits their effectiveness for capturing structural changes that occur at the much faster timescales of atomic motion. Current X-ray free-electron lasers (XFELs) provide femtosecond-pulsed X-ray beams with maximum energies of ∼24 keV, giving the potential to measure total scattering and the attendant pair distribution functions (PDFs) on femtosecond timescales. We demonstrate that this potential has been realized using the HED scientific instrument at the European XFEL and present normalized total scattering data for 0.35 Å−1 < Q < 16.6 Å−1 and their PDFs from a broad spectrum of materials, including crystalline, nanocrystalline and amorphous solids, liquids and clusters in solution. We analyzed the data using a variety of methods, including Rietveld refinement, small-box PDF refinement, joint reciprocal–real-space refinement, cluster refinement and Debye scattering analysis. The resolution function of the setup is also characterized. We conclusively show that high-quality data can be obtained from a single ∼30 fs XFEL pulse for multiple different sample types. Our efforts not only significantly increase the existing maximum reported Q range for an S(Q) measured at an XFEL but also mean that XFELs are now a viable X-ray source for the broad community of people using reciprocal-space total scattering and PDF methods in their research.
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Sep 2025
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I13-2-Diamond Manchester Imaging
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Diamond Proposal Number(s):
[31912]
Open Access
Abstract: In situ synchrotron X-ray computed tomography enables dynamic material studies. However, automated segmentation remains challenging due to complex imaging artefacts – like ring and cupping effects – and limited training data. We present a methodology for deep learning-based segmentation by transforming high-quality ex situ laboratory data to train models for segmentation of in situ synchrotron data, demonstrated through a metal oxide dissolution study. Using a modified SegFormer architecture, our approach achieves segmentation performance (94.7% IoU) that matches human inter-annotator reliability (94.6% IoU). This indicates the model has reached the practical upper bound for this task, while reducing processing time by 2 orders of magnitude per 3D dataset compared to manual segmentation. The method maintains robust performance over significant morphological changes during experiments, despite training only on static specimens. This methodology can be readily applied to diverse materials systems, enabling the efficient analysis of the large volumes of time-resolved tomographic data generated in typical in situ experiments across scientific disciplines.
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Sep 2025
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