Detectors
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N.
Goyal
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F. J.
Iguaz
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S.
Aplin
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A.
Balerna
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P.
Bell
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J.
Casas
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M.
Cascella
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S.
Chatterji
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C.
Cohen
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E.
Collet
,
E N.
Gimenez
,
H.
Graafsma
,
H.
Hirsemann
,
K.
Klementiev
,
T.
Kolodziej
,
T.
Martin
,
Ralf H.
Menk
,
C.
Menneglier
,
C.
Meraihia
,
J. R.
Murias
,
M.
Porro
,
M.
Quispe
,
B.
Schmitt
,
S.
Scully
,
M.
Turcato
,
C.
Ward
,
E.
Welter
Open Access
Abstract: The first operational prototype of a high-purity germanium (HPGe) detector developed within the European LEAPS-INNOV project is presented in this work. This prototype features a monolithic, multi-element sensor optimized for high-resolution X-ray spectroscopy in the hard X-ray regime, intended for handing high count rates of 30 Mcps, across a broad energy range (5–100 keV). The present prototype demonstrates a throughput of about 150–200 kcps/pixel, corresponding to a total count rate of about 1.5–2 Mcps for the full 10 element detector. We discuss here a complete laboratory-based characterization of the detector’s performance, as well as an on-beam evaluation at the BM05 beamline of the ESRF synchrotron facility, using monochromatic X-rays in the 20–50 keV energy range. We provide a detailed performance assessment that also includes a phenomenological defect-depth estimation model.
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Dec 2026
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B18-Core EXAFS
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Diamond Proposal Number(s):
[33047]
Open Access
Abstract: Human skeletal samples burned between 200 and 1000 °C, in both aerobic and anaerobic conditions, were probed by synchrotron-based Extended X-ray Absorption Fine Structure with a view to interpret heat-induced variations in chemical composition and structure. Heat-prompted changes in Ca2+ first and second coordination shells were unveiled (regarding PO43−, CO32− and/or OH− ligands). A higher crystallinity degree was found for 800-1000 °C burning temperatures as compared to 200-700 °C, in agreement with the higher amount of organic components in moderately heated samples. The unique local structural information delivered by XAS, particularly on the Ca2+ coordination environment which determines bone's structural features and degree of crystallinity, enabled an improved understanding of the heat-elicited changes undergone by bone, not previously accessed by other techniques. This is an innovative study, with a high impact in forensic and bioarchaeological research, focused on the analysis of burned human skeletal remains.
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Oct 2026
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I04-Macromolecular Crystallography
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Stéphane
Bourg
,
Matthieu
Place
,
Chloé
Copin
,
Apirat
Chaikuad
,
Thomas
Robert
,
Hanna
Holzmann
,
Susanne
Müller
,
Stéphane
Bach
,
Sandrine
Ruchaud
,
Stefan
Knapp
,
Frédéric
Buron
,
Sylvain
Routier
,
Pascal
Bonnet
Open Access
Abstract: CLK1 is one of the four human isoforms of the cdc2-like (CLK) kinases that has been suggested as a therapeutic target in diverse diseases based on its important role regulating mRNA splicing. For example, CLKs and closely related kinases such as DYRK1A have been targeted in Alzheimer’s disease and other diseases in which splice site selection contributes to the disease development. Here we have developed an efficient in silico fragment-based ligand design approach to identify novel CLK1 inhibitors with excellent ligand efficiency based on an imidazo[2,1-b][1,3,4]thiadiazole fragment. More than one million docking poses were generated from 26,225 unique virtual compounds, and after applying several filtering steps, 11 compounds were selected, synthesized and their CLK1 inhibition and cellular potency were evaluated. Gratifyingly, inhibitor potencies were in excellent agreement with predicted values and crystallographic data of an inhibitor bound to CLK1 confirmed the unusual binding mode of the compounds.
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Oct 2026
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B18-Core EXAFS
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Diamond Proposal Number(s):
[39526]
Open Access
Abstract: There is increasing interest in using Fe-rich materials in cement, yet the Fe speciation in hydrated cement paste remains poorly understood. This study quantitatively investigates the fate of amorphous Fe in hydrated white Portland cement-fayalitic slag pastes with varying Fe contents cured for 3, 28, and 90 days. The results show that Fe precipitated as ferrihydrite and potentially adsorbed on calcium (alumino)silicate hydrate (C-(A)-S-H) after 3 days of hydration. Afterwards, Fe stabilised in Fe-siliceous hydrogarnet and Fe-adsorbed C-(A)-S-H phases, accounting for ∼15% and ∼ 85% of total reacted Fe, respectively, after hydration for 90 days. The high Fe uptake by C-(A)-S-H was mainly attributed to Fe(III) adsorption rather than Fe(II). Thermodynamic modelling combined with microstructural analysis supported the predominant distribution of Fe on the C-(A)-S-H phase. These findings can advance understanding in using reactive Fe-containing materials in Portland cement pastes and the development of their chemical and physical properties.
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Oct 2026
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Open Access
Abstract: Bonkowski and De Souza [Sol. Stat. Ionics 429, 116967 (2025)] provide a guide for performing molecular dynamics simulations of ion transport, including methods for estimating diffusion coefficients and their uncertainties from mean-squared displacement (MSD) data. The discussion of uncertainty in estimated diffusion coefficients presents the statistical properties of specific analysis protocols—ordinary least squares regression with particular data processing choices and other, statistically equivalent, approaches—without explicitly stating the scope of applicability for these results. Without explicit scope statements, the guide presents these results as universal characteristics of diffusion coefficient estimation; i.e., uncertainty in is determined only by the input simulation data. Here, we clarify that for diffusion coefficients estimated by linear regression of MSD data, the uncertainty depends not only on the input simulation data, but also on the choice of statistical estimator (OLS, WLS, GLS) and data processing decisions (fitting window extent, time-averaging). By clarifying this dependence on analysis protocol, we hope to help researchers avoid incorrect uncertainty estimates and encourage the adoption of statistically efficient methods for analysing molecular dynamics simulations.
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Oct 2026
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I12-JEEP: Joint Engineering, Environmental and Processing
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Diamond Proposal Number(s):
[38206]
Open Access
Abstract: Masonry structures predominantly work under compression; elasticity in constituent materials is therefore typically characterised during uniaxial compression tests via load and deformation measurements. In most practical applications, deformation measurements can only be conducted at the surface of the sample. To understand the influence of this restriction on characterisation results, this study conducts in-situ load tests on hydraulic lime mortar samples with both surface and volumetric imaging, using stereo cameras and synchrotron X-rays. The imaging data are processed with Digital Image and Volume Correlation algorithms (local and global) to obtain full-field displacements and strains. Deformation measurements are then used to conduct surface characterisation with the Virtual Fields Method (VFM) and volumetric characterisation with Finite Element Model Updating (FEMU). Since the inverse models indicate limited identifiability for Poisson’s ratio, only the Young’s moduli are compared. Results indicate that accurate Young’s moduli can be obtained from surface measurements, provided that through-thickness load gradients are considered by averaging VFM results from front and back faces of the sample. In addition, it is shown that a surface characterisation domain away from contacts needs to be chosen to ensure that surface strains are representative of bulk behaviour. Finally, a systematic reduction of elastic moduli with increasing loads is observed, suggesting damage development at relatively low stress levels in hydraulic lime mortars.
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Sep 2026
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B16-Test Beamline
Detectors
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Simon
Knowles
,
Darren
Ballard
,
Dominic
Banks
,
Stephen
Bell
,
Manuele
Bettelli
,
Ivan
Church
,
Alex
Dainty
,
Adam
Davis
,
Vishal
Dhamgaye
,
Oliver
Fox
,
Marcus
French
,
Thomas
Gardiner
,
Navid
Ghorbanian
,
Josh
Harris
,
Matt
Hart
,
Aswathi
Koorikkat
,
Matt
Larkin
,
John
Lipp
,
John
Matheson
,
Tim
Nicholls
,
Joseph
Nobes
,
Mark
Prydderch
,
Kawal
Sawhney
,
Matthew C.
Veale
,
Matthew D.
Wilson
,
Silvia
Zanettini
Diamond Proposal Number(s):
[37914]
Open Access
Abstract: The development of fourth-generation synchrotrons, including the Diamond-II upgrade, promises 10–100× flux increases, reaching up to 1012 photons s−1 mm−2 at the detector, across a broad range of energies from 20 to 100 keV. To exploit fully these impressive photon fluxes and high X-ray energies, readout chips must achieve high frame rates and dynamic ranges, while the use of high-Z sensor materials is essential. To address these challenges, the UK's Science and Technology Facilities Council has developed DynamiX, a test structure for a novel two-stage charge cancellation circuit on a 65 nm CMOS process with a dynamic range from single photon(s) per pixel per frame to >9000 photons per pixel per frame (1011–1012 photons s−1 mm−2) at 20 keV photon energy. The application-specific integrated circuit has 16 ×16 pixels on 110 µm pitch and is hybridized with 2 mm thick Redlen high-flux cadmium zinc telluride (HF-CdZnTe). Data are read out at 534000 frames per second over a 14 Gbps serialiser and frames are assembled and saved with a custom data acquisition system. Measurements were made on the Diamond Light Source (DLS) B16 Test Beamline using monochromatic X-ray beams of different sizes and energies to evaluate the detector performance. A sub-pixel beam of size ∼60 µm × ∼15 µm was used to probe pixels to measure single photons with a noise performance of σ = 5.7 ± 0.1 keV. These single photons are used to calibrate the test pulse and pixel cancellation packet sizes. The linearity of the detector response under increasing flux was measured from <1 photon per pixel per frame to ∼109 photons s−1 mm−2 at 20 keV with an r.m.s. linearity of 6.2%. A polychromatic X-ray set was used to reach higher fluxes of ∼3 × 1010 photons s−1 mm−2 (20 keV equivalent), yielding an r.m.s. linearity of 3.2%. Finally, the full sensor area was used to image a rotating slitted disc at 534000 frames per second.
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Sep 2026
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B18-Core EXAFS
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Abstract: Dual-atom catalysts (DACs) surpass the limitations of single-atom catalysts by harnessing synergy between adjacent metal sites. Herein, we propose a novel strategy employing d-p orbital synergistic modulation in Fe-Sb DACs. Combined density functional theory and molecular dynamics simulations reveal that the significant d-p orbital synergistic regulation between Fe and Sb sites promotes O2 adsorption and activation, lowers the energy barrier for Osingle bondO bond cleavage, and optimizes water desorption. As a proof-of-concept, Fe/Sb DACs anchored on a nitrogen-doped carbon matrix (Fe/Sb-N-C) were synthesized. The atomic-level local coordination of Fe-Sb dual atoms was systematically characterized by aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray absorption fine structure (XAFS) analyses. The as-fabricated Fe/Sb-N-C exhibits exceptional alkaline oxygen reduction reaction (ORR) performance, featuring a half-wave potential of 0.92 V and outstanding durability. Aqueous Zn-air batteries equipped with Fe/Sb-N-C achieve a high maximum power density of 196 mW cm-2 and a specific capacity of 795 mAh g-1. Furthermore, quasi-solid-state Zn-air batteries demonstrate wide-temperature operability (-30 to 60 °C) and stability under high current densities. This work establishes d-p orbital synergy as a new paradigm for designing high-efficiency ORR catalysts, broadening their application in energy devices across extreme temperatures.
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Sep 2026
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I11-High Resolution Powder Diffraction
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Diamond Proposal Number(s):
[36314]
Open Access
Abstract: Ocean-bearing icy worlds may harbour the necessary conditions for life, but we do not yet understand the processes that deliver ocean fluids to the surface where they are accessible to spacecraft. We demonstrate that hydrates of sodium-chloride (NaCl), a constituent of icy world oceans, record the thermal conditions experienced by NaCl rich fluids as they freeze. Through laboratory experiments, we identify four distinct NaCl-H2O assemblages, comprising crystalline and amorphous phases. The specific phase assemblage produced by freezing of brine depends on both the cooling rate and the initial brine salinity, with the production of metastable phases favoured at lower salinities and faster cooling rates. Different NaCl–H₂O assemblages exhibit characteristic near-infrared signatures that may provide a valuable tool for interpreting data collected by upcoming orbital missions to icy worlds. These results establish that the NaCl-H2O solid phase composition could be used as a new diagnostic probe of cryogenic processes on icy worlds, providing a means to reconstruct geological history of ocean-derived surface material and enabling space missions to assess the evolution of icy worlds across the outer Solar System.
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Sep 2026
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I15-Extreme Conditions
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Diamond Proposal Number(s):
[36011, 39563]
Abstract: This study identifies the structural origin of giant electrostrain in samarium-doped bismuth ferrite lead titanate (0.55Bi1-xSmxFeO3–0.45PbTiO3) ceramics. A giant peak-to-peak electrostrain (∼0.5 % at 60 kV cm–1) was obtained for compositions with x = 0.20 (20Sm) during initial poling, superior to Pb(Zr,Ti)O3 based ceramics with similar phase transition temperature of 275 °C, coupled with a piezoelectric coefficient of 276 pC/N comparable with hard PZT. While 20Sm is a macroscopically pseudo-cubic relaxor in its unpoled state, an irreversible, field-induced transformation gives a tetragonal (c/a∼1.115) ferroelectric phase as revealed by in-situ poling synchrotron X-ray diffraction and confirmed by transmission electron microscopy. The field-induced domain structure of the tetragonal structure could be reversibly switched under AC field after transformation. Quantitative strain analysis confirmed that the structural transformation accounts for approximately half of the total electrostrain, with the remainder by domain switching. These results highlight the importance of field-induced structural transformations for the development of high-performance piezoelectrics.
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Sep 2026
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