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At least 19 records

Adaptively coupled phase retrieval in multi-peak Bragg coherent diffraction imaging

Recent advances in Bragg coherent diffraction imaging (BCDI) experimental techniques permit routine measurement of multiple Bragg peaks from a single crystalline grain. The resulting images contain the full lattice distortion vector field which can be differentiated to provide lattice strain and rotation. With the advent of fourth-generation synchrotron light sources, such multi-peak datasets are produced at high rates, facilitating the need for rapid phase retrieval of the multiple peaks and subsequent image analysis. Here we describe and demonstrate a new implementation of a coupled phase retrieval technique for multi-peak BCDI which simultaneously treats each Bragg peak of the dataset and produces a three-dimensional image of the crystal's morphology and lattice distortion field. In addition, this method uses the redundant information contained in the various Bragg diffraction patterns to detect and suppress spurious signal appearing on the detector in a subset of the measurements. Compared with manual data editing, adaptive coupling produces a more consistent phase profile in reciprocal space and sharper surfaces in direct space, with no significant difference in computational cost. These improvements reduce the need for manual preprocessing and enable robust high-throughput analysis of multi-peak BCDI data, supporting near-real-time strain microscopy at modern synchrotron facilities.

36 MATERIALS SCIENCE↗

Concurrent multi-peak Bragg coherent x-ray diffraction imaging of 3D nanocrystal lattice displacement via global optimization

Abstract In this paper we demonstrated a method to reconstruct vector-valued lattice distortion fields within nanoscale crystals by optimization of a forward model of multi-reflection Bragg coherent diffraction imaging (MR-BCDI) data. The method flexibly accounts for geometric factors that arise when making BCDI measurements, is amenable to efficient inversion with modern optimization toolkits, and allows for globally constraining a single image reconstruction to multiple Bragg peak measurements. This is enabled by a forward model that emulates the multiple Bragg peaks of a MR-BCDI experiment from a single estimate of the 3D crystal sample. We present this forward model, we implement it within the stochastic gradient descent optimization framework, and we demonstrate it with simulated and experimental data of nanocrystals with inhomogeneous internal lattice displacement. We find that utilizing a global optimization approach to MR-BCDI affords a reliable path to convergence of data which is otherwise challenging to reconstruct.

36 MATERIALS SCIENCE↗

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction

This study introduces a novel iterative Bragg peak removal with automatic intensity correction (IBR-AIC) methodology for X-ray absorption spectroscopy (XAS), specifically addressing the challenge of Bragg peak interference in the analysis of crystalline materials. The approach integrates experimental adjustments and sophisticated post-processing, including an iterative algorithm for robust calculation of the scaling factor of the absorption coefficients and efficient elimination of the Bragg peaks, a common obstacle in accurately interpreting XAS data, particularly in crystalline samples. The method was thoroughly evaluated on dilute catalysts and thin films, with fluorescence mode and large-angle rotation. The results underscore the technique's effectiveness, adaptability and substantial potential in improving the precision of XAS data analysis. While demonstrating significant promise, the method does have limitations related to signal-to-noise ratio sensitivity and the necessity for meticulous angle selection during experimentation. Overall, IBR-AIC represents a significant advancement in XAS, offering a pragmatic solution to Bragg peak contamination challenges, thereby expanding the applications of XAS in understanding complex materials under diverse experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Spread Out Carbon Bragg Peak at NSRL

Charged particles lose energy continuously while traversing non-vacuum medium but have a sharp peak of dE/dx near the end of the path length. This can be very beneficial for cancer radiotherapy where healthy tissues surrounding a tumor are left with little dose compared to traditional therapy methods. However, since the region of high dose is localized to such a small area, it can present challenges when attempting to treat tumors of larger volume. By utilizing a variable thickness degrader system, the treatment area can be expanded during clinical treatment applications. To accommodate these types of radiobiology experiments, NSRL has produced a spread-out Bragg peak degrader wheel which aims to widen the Bragg peak of a 108 MeV/n Carbon beam to deliver a constant linear energy transfer, in water, of 97.7 keV/µm over a range of 36.7 mm.

43 PARTICLE ACCELERATORS↗

Variable Depth Bragg Peak Method for Single Event Effects Testing

Traditionally, accelerator SEE testing is accomplished by removing the tops of packages so that the IC chips are accessible to heavy ions. However, ICs in some advanced packages cannot be de-lidded so a different approach is used that involves grinding and/or chemically etching away part of the package and the chip from the back side. The parts are then tested from the back side with ions having sufficient range to reach the sensitive volume. More recently, the entire silicon substrate in an SOI/SRAM was removed, making it possible to use low-energy ions with shorter ranges. Where removal of part of the package is not possible, facilities at Michigan State, NASA Space Radiation Laboratory, GANIL (France) and GSI (Germany) offer high-energy heavy ions with long ranges so that the ions can reach the devices' sensitive volumes without much change in the LET. Unfortunately, a run will typically involve only one ion species having a single energy and LET due to the long time it takes to tune a new energy. The Variable Depth Bragg Peak (VDBP) method is similar to the above method in that it involves the use of high-energy heavy ions that are able to pass through the packaging material and reach the device, obviating the need to remove the package. However, the method provides a broad range of LETs from a single ion by inserting degraders in the beam that modify the ion energy and, therefore, the LET. The crux of the method involves establishing a fiduciary point for degrader thickness, i.e., where the Bragg peak is located precisely at the sensitive volume in the device, for which the measured SEU cross-section and the ion LET are both also maxima and can be calculated using a Monte-Carlo program, TRIM. Once the fiduciary point has been established, calibrated high density polyethylene (HDPE) degraders are inserted into or removed from the beam to vary the ion LET at the device in a known manner. After each change of degrader thickness, the SEU cross-section is measured and the corresponding LET calculated from the change in degrader thickness. That information is used to generate a plot of cross-section as a function of ion LET. The advantages of this approach are that the part does not have to be de-lidded and a broad range of LETs is available from a single heavy ion without having to go to non-normal angles of incidence to change the "effective" LET. As we will show, it is possible to obtain an entire curve of cross-section versus LET using just two or three ions. Fig. 1 shows curves of cross-section vs LET for a Freescale 4 Mbit SOI/SRAM measured at the 88" Cyclotron at Berkeley and at NSRL. The open symbols are the data obtained from Berkeley for top-side and back-side irradiation. The solid data points are for the data obtained at NSRL using a device for which the package was intact. The data are for Iron and Gold and cover a range of LETs from 4 MeV.cm2/mg to 84 MeV.cm2/mg. The agreement between the data obtained from Berkeley and from NSRL is excellent, demonstrating that the VDBP method is capable of providing accurate values of cross-section versus LET, at least for the 4 Mbit SRAM. Details of the technique will be included in the final presentation.

Buchner, S.↗

End-to-end deep learning pipeline for real-time Bragg peak segmentation: from training to large-scale deployment

X-ray crystallography reconstruction, which transforms discrete X-ray diffraction patterns into three-dimensional molecular structures, relies critically on accurate Bragg peak finding for structure determination. As X-ray free electron laser (XFEL) facilities advance toward MHz data rates (1 million images per second), traditional peak finding algorithms that require manual parameter tuning or exhaustive grid searches across multiple experiments become increasingly impractical. While deep learning approaches offer promising solutions, their deployment in high-throughput environments presents significant challenges in automated dataset labeling, model scalability, edge deployment efficiency, and distributed inference capabilities. We present an end-to-end deep learning pipeline with three key components: (1) a data engine that combines traditional algorithms with our peak matching algorithm to generate high-quality training data at scale, (2) a modular architecture that scales from a few million to hundreds of million parameters, enabling us to train large expert-level models offline while deploying smaller, distilled models at the edge, and (3) a decoupled producer-consumer architecture that separates specialized data source layer from model inference, enabling flexible deployment across diverse computing environments. Using this integrated approach, our pipeline achieves accuracy comparable to traditional methods tuned by human experts while eliminating the need for experiment-specific parameter tuning. Although current throughput requires optimization for MHz facilities, our system's scalable architecture and demonstrated model compression capabilities provide a foundation for future high-throughput XFEL deployments.

Wang, Cong↗

Imaging extended single crystal lattice distortion fields with multi-peak Bragg ptychography

Recent advances in phase-retrieval-based x-ray imaging methods have demonstrated the ability to reconstruct 3D distortion vector fields within a nanocrystal by using coherent diffraction information from multiple crystal Bragg reflections. However, these works do not provide a solution to the challenges encountered in imaging lattice distortions in crystals with significant defect content that result in phase wrapping. Moreover, these methods only apply to isolated crystals smaller than the x-ray illumination, and therefore cannot be used for imaging of distortions in extended crystals. We introduce multi-peak Bragg ptychography which addresses both challenges via an optimization framework that combines stochastic gradient descent and phase unwrapping methods for robust image reconstruction of lattice distortions and defects in extended crystals. Our work uses modern automatic differentiation toolsets so that the method is easy to extend to other settings and easy to implement in high-performance computers. This work is particularly timely given the broad interest in using the increased coherent flux in fourth-generation synchrotrons for innovative material research.

36 MATERIALS SCIENCE↗

Interactive automated Bragg peak identification with 3D neutron scattering data

Neutron scattering experiments have undergone significant technological development through large area detectors with concurrent enhancements in neutron transport and electronic functionality. Data collected for neutron events include detector pixel location in 3D, time and associated metadata, such as, sample orientation, neutron wavelength, and environmental conditions. RadiaSoft and Oak Ridge National Laboratory personnel are considering single-crystal diffraction data from the TOPAZ instrument. We are leveraging a new method for rapid, interactive analysis of neutron data using NVIDIA’s IndeX 3D volumetric visualization framework. We have implemented machine learning techniques to automatically identify Bragg peaks and separate them from diffuse backgrounds and analyze the crystalline lattice parameters for further analysis. The implementation of automatic peak identification into IndeX allows scientists to visualize and analyze data in real-time. Our methods include a robust comparison with current analysis techniques which show improvement in a variety of aspects. These improvements will be incorporated into IndeX for visualization to allow scientists an interactive tool for crystal analysis.

Kilpatrick, Matthew↗

Plasma-Induced Electron Screening at the Bragg Peak

Over 36 years of laboratory astrophysics experiments employing accelerated hydrogen isotope beams have demonstrated the role of electron screened, enhanced nuclear reactions. The astrophysical role of weak and strong electron screening was first discussed by Saltpeter in 1954 and later by Hagino and Balantekin in 2002. Assenbaum, et al., Czerski, et al., and Schenkel, et al., have used accelerated deuteron beams on various metal targets and observed increased fusion rates over the expected Astrophysical, S(E), and Gamow Factors for bare deuteron-deuteron fusion rates. The Pines calculated both electron screened direct and asymptotic enhancement factors, f(E). Arguably, electron screening makes LENR possible.

plasma↗

Plasma-Induced Electron Screening at the Bragg Peak

Over 36 years of laboratory astrophysics experiments employing accelerated hydrogen isotope beams have demonstrated the role of electron screened, enhanced nuclear reactions. The astrophysical role of weak and strong electron screening was first discussed by Saltpeter [1] in 1954 and later by Hagino and Balantekin [2] in 2002. Assenbaum, et al. [3], Czerski, et al. [4], and Schenkel, et al., [5] have used accelerated deuteron beams on various metal targets and observed increased fusion rates over the expected Astrophysical, S(E), and Gamow Factors for bare deuteron-deuteron fusion rates. The Pines calculated both electron screened direct and asymptotic enhancement factors, f(E) [6]. Arguably, electron screening makes LENR possible.

plasma↗

Bragg Curve, Biological Bragg Curve and Biological Issues in Space Radiation Protection with Shielding

The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET gamma or X-rays, the presence of shielding does not always reduce the radiation risks for energetic charged particle exposure. Since the dose delivered by the charged particle increases sharply as the particle approaches the end of its range, a position known as the Bragg peak, the Bragg curve does not necessarily represent the biological damage along the particle traversal since biological effects are influenced by the track structure of both primary and secondary particles. Therefore, the biological Bragg curve is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. To achieve a Bragg curve distribution, we exposed cells to energetic heavy ions with the beam geometry parallel to a monolayer of fibroblasts. Qualitative analyses of gamma-H2AX fluorescence, a known marker of DSBs, indicated increased clustering of DNA damage before the Bragg peak, enhanced homogenous distribution at the peak, and provided visual evidence of high linear energy transfer (LET) particle traversal of cells beyond the Bragg peak. A quantitative biological response curve generated for micronuclei (MN) induction across the Bragg curve did not reveal an increased yield of MN at the location of the Bragg peak. However, the ratio of mono-to bi-nucleated cells, which indicates inhibition in cell progression, increased at the Bragg peak location. These results, along with other biological concerns, show that space radiation protection with shielding can be a complicated issue.

Honglu, Wu↗

Induction of micronuclei in human fibroblasts across the Bragg curve of energetic heavy ions

The space environment consists of a varying field of radiation particles including high energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-L or X-rays, the presence of shielding does not always reduce the radiation risks for energetic charged particle exposure. Although the dose delivered by the charged particle increases sharply as the particle approaches the Bragg peak, the Bragg curve does not necessarily represent the biological damage along the particle traversal. The "biological Bragg curve" is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. To investigate "biological Bragg curves", we analyzed micronuclei (MN) induction along the particle traversal of Si and Fe ions at incident energies of 300 MeV/nucleon and 1 GeV/nucleon. A quantitative biological response curve did not reveal an increased yield of MN at the location of the Bragg peak. However, the ratio of mono-to bi-nucleated cells, which indicates inhibition in cell progression, increased at the Bragg peak location. These results confirm the hypothesis that "over kill" at the Bragg peak will affect the outcome of other biological endpoints.

Hada, Megumi↗

Induction of Micronuclei in Human Fibroblasts across the Bragg Curve of Energetic Si and Fe Ions

The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET gamma or X-rays, the presence of shielding does not always reduce the radiation risks for energetic charged particle exposure. Since the dose delivered by the charged particle increases sharply as the particle approaches the end of its range, a position known as the Bragg peak, the Bragg curve does not necessarily represent the biological damage along the particle traversal since biological effects are influenced by the track structure of both primary and secondary particles. Therefore, the biological Bragg curve is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. We studied micronuclei (MN) induction across the Bragg curve of Si and Fe ions at incident energies of 300 MeV/nucleon and 1 GeV/nucleon. A quantitative biological response curve did not reveal an increased yield of MN at the location of the Bragg peak. However, the ratio of mono- to bi-nucleated cells, which indicates inhibition in cell progression, increased at the Bragg peak location. These results confirm the hypothesis that severely damaged cells at the Bragg peak are likely to go through reproduction death.

Wu, H.↗

Comparison of Model Calculations of Biological Damage from Exposure to Heavy Ions with Measurements

The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET gamma or X rays, the presence of shielding does not always reduce the radiation risks for energetic charged-particle exposure. Dose delivered by the charged particle increases sharply at the Bragg peak. However, the Bragg curve does not necessarily represent the biological damage along the particle path since biological effects are influenced by the track structures of both primary and secondary particles. Therefore, the ''biological Bragg curve'' is dependent on the energy and the type of the primary particle and may vary for different biological end points. Measurements of the induction of micronuclei (MN) have made across the Bragg curve in human fibroblasts exposed to energetic silicon and iron ions in vitro at two different energies, 300 MeV/nucleon and 1 GeV/nucleon. Although the data did not reveal an increased yield of MN at the location of the Bragg peak, the increased inhibition of cell progression, which is related to cell death, was found at the Bragg peak location. These results are compared to the calculations of biological damage using a stochastic Monte-Carlo track structure model, Galactic Cosmic Ray Event-based Risk Model (GERM) code (Cucinotta, et al., 2011). The GERM code estimates the basic physical properties along the passage of heavy ions in tissue and shielding materials, by which the experimental set-up can be interpreted. The code can also be used to describe the biophysical events of interest in radiobiology, cancer therapy, and space exploration. The calculation has shown that the severely damaged cells at the Bragg peak are more likely to go through reproductive death, the so called "overkill".

Kim, Myung-Hee Y.↗

Distribution of Micronuclei in Human Fibroblasts across the Bragg Curve of Light and Heavy Ions

The space environment consists of energetic particles of varying mass and energy, and understanding the :biological Bragg curve" is essential in optimizing shielding effectiveness against space radiation induced biological impacts. The "biological Bragg curve" is dependent on the energy and the type of the primary particle, and may vary for different biological endpoints. Previously, we studied the induction of micronuclei (MN) across the Bragg curve of energetic Fe and Si ions, and observed no increased yield of MN at the location of the Bragg peak. However, the ratio of mono- to bi-nucleated cells, which indicates inhibition of cell progression, was found higher at the Bragg peak location in comparison to the plateau region of the Bragg curve. Here, we report the induction of MN in normal human fibroblast cells across the Bragg curve of incident protons generated at Loma Linda University. Similar to Si and Fe ions, the ratio of mono- to bi-nucleated cells showed a clear spike as the protons reached the Bragg peak. Unlike the two heavy ions, however, the MN yield also increased at the Bragg peak location. These results confirm the hypothesis that severely damaged cells at the Bragg peak of heavy, but not light ions are more likely to go through reproductive death and not be evaluated for micronuclei.

Hada, M.↗

In Vitro Experimental Model to Investigate the Biological Effects across the Bragg Curve of High-LET Radiation

The space environment consists of a varying field of radiation particles including high energy ions, with a spacecrafts shielding material providing the only major protection to astronauts from harmful exposure. Unlike lowLET gamma or Xrays, the presence of shielding does not always reduce the radiation risks for energetic charged particle exposure since the dose delivered by the charged particle increases sharply as the particle approaches the end of its range, a position known as the Bragg peak and the correlating spatial dose distribution identified as the Bragg curve. The Bragg curve does not necessarily represent the biological damage along the particle traversal since biological effects are influenced by the track structure of both primary and secondary particles. Therefore, the biological Bragg curve is dependent of the energy and the type of the primary particle, and may vary for different biological endpoints. Here we describe a unique irradiation geometry and experimental system to measure the biological response across the Bragg curve in one consistent biological sample. Polyethylene shielding was used to achieve a Bragg curve distribution with the beam geometry parallel to a monolayer of fibroblast cells. We present data that highlights the differential formation of DNA double strand breaks (DSBs) and chromosomal deletions across the Bragg curve in human fibroblasts irradiated with 600 MeV/nucleon iron ion beams. Qualitative analyses of gammaH2AX fluorescence, a known marker of DSBs, indicated potentially increased clustering of DNA damage before the Bragg peak, enhanced homogenous distribution at the peak, and provided visual evidence of high linear energy transfer (LET) particle traversal of cells beyond the Bragg peak in agreement with one-dimensional transport approximations. A biological response curve generated for micronuclei induction across the Bragg curve for 600 MeV/n Fe ions did not reveal an increase in the yield of micronuclei at the Bragg peak location. Assessment of such biological parameters employing the described in vitro experimental system may provide improved platforms to measure a number of biological consequences of shielding materials across the Bragg curve for high charge and energy (HZE) ions.

Desai, N.↗