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Optimization of ray-tracing simulations to confirm performance of the GP-SANS instrument at the High-Flux Isotope Reactor

The CG-2 beamline at the High Flux Isotope Reactor (HFIR) exhibits a notable discrepancy between observed count rates and the count rates we would expect based on a Monte-Carlo neutron ray-trace simulation. These simulations consistently predict count rates approximately five times greater than those observed in four separate experimental runs involving different instrument configurations. This discrepancy suggests that certain factors are causing losses in measurements that are not adequately accounted for in the simulation, in particular guide reflectivity or misalignment. To investigate these discrepancies, a high-dimensional simulation parameter approach is applied in order to understand the losses. Region of Interest (ROI) groups along the instrument are assigned to different surfaces of the guide components within the simulation. This allows the parameters of those guide components to be varied as a group to minimize the complexity of the search space. The result is an optimization of simulation parameters using an iterative scheme that aims to minimize the difference between experimentally measured count rates and simulated count rates across all tested collimator combinations. This proposed methodology holds the potential to reveal previously unrecognized sources of intensity loss in the CG-2 beamline at HFIR and improve the accuracy of simulations, leading to enhanced understanding and performance of the beamline for various scientific applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

AutoFocus: AI/ML-driven real-time wavefront diagnostics to autonomously align and optimize X-ray optics

We present an integrated system that combines advanced wavefront diagnostics with artificial intelligence (AI) to automate and optimize X-ray optics at synchrotron beamlines. This system couples real-time wavefront sensing with AI-driven control algorithms to achieve precise beam alignment, stabilization, and performance optimization. A key feature is the use of multi-fidelity transfer learning, which enables knowledge gained from both real-world beamline optimizations and ultra-realistic digital twin simulations to be effectively applied to in situ optimization. By leveraging multi-objective bayesian optimization, the system continuously refines its performance, reducing optimization time and minimizing the need for manual adjustments. Designed for seamless deployment, it operates with existing beamline hardware and provides an intuitive graphical interface. Initial deployments at the advanced photon source beamlines have demonstrated its ability to enhance beam stability, improve reproducibility, and significantly streamline alignment procedures. This AI-enhanced control framework represents a significant step toward fully autonomous beamline operation in next-generation synchrotron facilities.

Rebuffi, Luca [Argonne National Laboratory (ANL), ↗

Self-supervised physics-informed generative networks for phase retrieval from a single X-ray hologram

X-ray phase contrast imaging significantly improves the visualization of structures with weak or uniform absorption, broadening its applications across a wide range of scientific disciplines. Propagation-based phase contrast is particularly suitable for time- or dose-critical in vivo/in situ/operando (tomography) experiments because it requires only a single intensity measurement. However, the phase information of the wave field is lost during the measurement and must be recovered. Conventional algebraic and iterative methods often rely on specific approximations or boundary conditions that may not be met by many samples or experimental setups. In addition, they require manual tuning of reconstruction parameters by experts, making them less adaptable for complex or variable conditions. Here we present a self-learning approach for solving the inverse problem of phase retrieval in the near-field regime of Fresnel theory using a single intensity measurement (hologram). A physics-informed generative adversarial network is employed to reconstruct both the phase and absorbance of the unpropagated wave field in the sample plane from a single hologram. Unlike most state-of-the-art deep learning approaches for phase retrieval, our approach does not require paired, unpaired, or simulated training data. This significantly broadens the applicability of our approach, as acquiring or generating suitable training data remains a major challenge due to the wide variability in sample types and experimental configurations. The algorithm demonstrates robust and consistent performance across diverse imaging conditions and sample types, delivering quantitative, high-quality reconstructions for both simulated data and experimental datasets acquired at beamline P05 at PETRA III (DESY, Hamburg), operated by Helmholtz-Zentrum Hereon. Furthermore, it enables the simultaneous retrieval of both phase and absorption information.

36 MATERIALS SCIENCE↗

MicroBooNE BNB Electron Neutrino Overlay Sample (No Wire Info)

MicroBooNE samples are provided for collaborative development in two different formats: HDF5, targeting the broadest audience, and artroot, targeting users that are familiar with the software infrastructure of Fermilab neutrino experiments and more in general of HEP experiments. The HDF5 files are stored on Zenodo, together with a list of artroot files accessible with xrootd.This sample includes simulated interactions of neutrinos from the Booster Neutrino Beam (BNB), overlaid on top of cosmic ray data. The sample is restricted to charged-current electron neutrino interactions within the argon active volume of the time projection chamber.The HDF5 files in this sample do not include the information at the wire waveform level ("NoWire" label), allowing for larger number of events to be included in the data set.More documentation, including detailed description of content, recipes, and example usage, at https://github.com/uboone/OpenSamples.Suggested text for acknowledgment is the following:We acknowledge the MicroBooNE Collaboration for making publicly available the data sets [data set DOIs] employed in this work. These data sets consist of simulated neutrino interactions from the Booster Neutrino Beamline overlaid on top of cosmic data collected with the MicroBooNE detector [2017 JINST 12 P02017].In addition, we request that software products resulting from the usage of the datasets are also made publicly available.

Abratenko, Polina↗

MicroBooNE BNB Inclusive Overlay Sample (With Wire Info)

MicroBooNE samples are provided for collaborative development in two different formats: HDF5, targeting the broadest audience, and artroot, targeting users that are familiar with the software infrastructure of Fermilab neutrino experiments and more in general of HEP experiments. The HDF5 files are stored on Zenodo, together with a list of artroot files accessible with xrootd.This sample includes simulated interactions of neutrinos from the Booster Neutrino Beam (BNB), overlaid on top of cosmic ray data. The sample is inclusive, i.e. it includes all types of neutrinos and interactions, with relative abundance matching our nominal flux and cross section models. Interactions are simulated in in the whole cryostat volume.The HDF5 files in this sample include the information at the wire waveform level (after deconvolution and finding of regions of interest). As this information significantly increases the file size, this sample contains about 17% of the events of the corresponding sample without wire information.More documentation, including detailed description of content, recipes, and example usage, at https://github.com/uboone/OpenSamples.Suggested text for acknowledgment is the following:We acknowledge the MicroBooNE Collaboration for making publicly available the data sets [data set DOIs] employed in this work. These data sets consist of simulated neutrino interactions from the Booster Neutrino Beamline overlaid on top of cosmic data collected with the MicroBooNE detector [2017 JINST 12 P02017].In addition, we request that software products resulting from the usage of the datasets are also made publicly available.

Abratenko, Polina↗

MicroBooNE BNB Electron Neutrino Overlay Sample (With Wire Info)

MicroBooNE samples are provided for collaborative development in two different formats: HDF5, targeting the broadest audience, and artroot, targeting users that are familiar with the software infrastructure of Fermilab neutrino experiments and more in general of HEP experiments. The HDF5 files are stored on Zenodo, together with a list of artroot files accessible with xrootd.This sample includes simulated interactions of neutrinos from the Booster Neutrino Beam (BNB), overlaid on top of cosmic ray data. The sample is restricted to charged-current electron neutrino interactions within the argon active volume of the time projection chamber.The HDF5 files in this sample include the information at the wire waveform level (after deconvolution and finding of regions of interest). As this information significantly increases the file size, this sample contains about 20% of the events of the corresponding sample without wire information.More documentation, including detailed description of content, recipes, and example usage, at https://github.com/uboone/OpenSamples.Suggested text for acknowledgment is the following:We acknowledge the MicroBooNE Collaboration for making publicly available the data sets [data set DOIs] employed in this work. These data sets consist of simulated neutrino interactions from the Booster Neutrino Beamline overlaid on top of cosmic data collected with the MicroBooNE detector [2017 JINST 12 P02017].In addition, we request that software products resulting from the usage of the datasets are also made publicly available.

Abratenko, Polina↗

MicroBooNE BNB Inclusive Overlay Sample (No Wire Info)

MicroBooNE samples are provided for collaborative development in two different formats: HDF5, targeting the broadest audience, and artroot, targeting users that are familiar with the software infrastructure of Fermilab neutrino experiments and more in general of HEP experiments. The HDF5 files are stored on Zenodo, together with a list of artroot files accessible with xrootd.This sample includes simulated interactions of neutrinos from the Booster Neutrino Beam (BNB), overlaid on top of cosmic ray data. The sample is inclusive, i.e. it includes all types of neutrinos and interactions, with relative abundance matching our nominal flux and cross section models. Interactions are simulated in in the whole cryostat volume.The HDF5 files in this sample do not include the information at the wire waveform level ("NoWire" label), allowing for larger number of events to be included in the data set.More documentation, including detailed description of content, recipes, and example usage, at https://github.com/uboone/OpenSamples.Suggested text for acknowledgment is the following:We acknowledge the MicroBooNE Collaboration for making publicly available the data sets [data set DOIs] employed in this work. These data sets consist of simulated neutrino interactions from the Booster Neutrino Beamline overlaid on top of cosmic data collected with the MicroBooNE detector [2017 JINST 12 P02017].In addition, we request that software products resulting from the usage of the datasets are also made publicly available.

Abratenko, Polina↗

Micronuclei Induction in Human Fibroblasts Exposed In Vitro to Los Alamos High-Energy Neutrons

High-energy secondary neutrons, produced by the interaction of galactic cosmic rays with the atmosphere, spacecraft structure and planetary surfaces, contribute to a significant fraction to the dose equivalent in crew members and passengers during commercial aviation travel, and astronauts in space missions. The Los Alamos Nuclear Science Center (LANSCE) neutron facility#s ICE House 30L beamline is known to generate neutrons that simulate the secondary neutron spectra of earth#s atmosphere. The neutron spectrum is also similar to that measured onboard spacecraft like the MIR and International Space Station (ISS). To evaluate the biological damage, we exposed human fibroblasts in vitro to the LANSCE neutron beams without degrader at an entrance dose rate of 25 mGy/hr and analyzed the micronuclei (MN) induction. The cells were also placed behind a 9.9 cm water column to study effect of shielding in the protection of neutron induced damages. It was found that the dose response in the MN frequency was linear for the samples with and without shielding and the slope of the MN yield behind the shielding was reduced by a factor of 3.5. Compared to the MN induction in human fibroblasts exposed to a gamma source at a low dose rate, the RBE was found to be 16.7 and 10.0 for the neutrons without and with 9.9 cm water shielding, respectively.

Gersey, Brad↗

Applications of “Synchrotron Radiation Workshop” Code

The “Synchrotron Radiation Workshop” (SRW) computer code was started in the group of Insertion Devices of the European Synchrotron Radiation Facility in 1997. The idea behind it was to combine in one software library electrodynamics methods for calculating electric fields (and derived characteristics) of synchrotron radiation (SR) generated by relativistic electrons moving in magnetic fields of nearly arbitrary configuration with wave-optics methods for simulating propagation of radiation through optical elements of beamlines. Further, the use of this general approach was initially driven by applications in electron beam diagnostics using SR. However, with time it started to be used for more complicated beamlines of synchrotron light sources, and the use of the code for these applications continues to increase, with the new light sources offering brighter and more coherent x ray beams for wide ranges of experiments in different areas of science.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The development of the NNBAR experiment

The NNBAR experiment for the European Spallation Source will search for free neutrons converting to antineutrons with a sensitivity improvement of three orders of magnitude compared to the last such search. This paper describes progress towards a conceptual design report for NNBAR. The design of a moderator, neutron reflector, beamline, shielding and annihilation detector is reported. The simulations used form part of a model which will be used for optimisation of the experiment design and quantification of its sensitivity.

47 OTHER INSTRUMENTATION↗

High Power Solid Target for Positron Source at CEBAF

The progress in the development of a polarized positron injector for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is presented. The polarized positron beam is generated by a high current polarized electron beam (>1 mA @ 120 MeV) via bremsstrahlung radiation and e+e- pair production in the tungsten target. The simulations show that using an optimized target and positron beamline, the positron injector can provide a cw positron beam with a current larger than 50 nA and a polarization as large as 60%. Injected into the North Linac of CEBAF at an energy of 123 MeV, the positron beam can reach a maximum energy of 12 GeV to perform a rich experimental program. The results of the thermal and structural FEA analysis of the heat load in the target are presented, as well as the simulation results of radiation damage in the target. The performed and planned target material fatigue and radiation damage tests are discussed. This work is supported by the U.S. DOE, Office of Science, Office of Nuclear Physics, Contract No. DE-AC05-06OR23177 and the European Union?s Horizon 2020 research and innovation program under grant agreement No. 824093.

Ushakov, Andriy↗

Three Approaches for Complete Measurement of the Transverse Beam Optics Along the Fermilab Muon Campus Extraction Line

Traditionally, the process of measuring the optical parameters of a beamline has employed the use of one of two standard methods, namely the three-screen method or a quadrupole magnet scan. Both require either an area of zero dispersion to perform the measurements or knowledge of the dispersion function and momentum spread beforehand in order to provide accurate results. There is however a third method that can be used to measure the standard optical parameters, the beam parameters, the dispersion function, and the momentum spread simultaneously. This method, aptly named the six-screen method, is an extension of the more standard three-screen method. Utilizing the simulation environment of G4beamline, we simulated the 8 GeV proton beam in the M4 beamline and measured the optical and beam parameters using the two standard approaches. Those results were then used as a reference to check the viability of employing the less standard six-screen method in the M4 line. If shown to be a viable option, the six-screen method could be used to retrieve the dispersion function and momentum spread of the beam without needing to change the energy of the beam.

43 PARTICLE ACCELERATORS↗

Preliminary Look at the LBEG & MPEG Beam Transmissions between HPSim and Operation Data

This report summarizes recent work on estimating the transmission of LANSCE H- beams from the end of the present DTL to both the PSR stripper foil (LBEG) and WNR target 4 (MPEG). The LBEG beam might be considered a more typical LINAC beam and lends itself to continuous monitoring of transmission through the various stages of the accelerator. For the MPEG, however, the widely-spaced micropulses and lack of the requisite sensitivity current monitors throughout the accelerator make these measurements extremely difficult and more uncertain. Therefore, to assist in estimating the MPEG beam transmission, beam-dynamics simulations using HPSim were employed. These beam transmission estimates from the end of the Drift Tube Linac (DTL) to Target 4 (MPEG) and the PSR stripper foil (LBEG) are vital to determine the charge requirements for LAMP’s front end. In this technote, we demonstrate three major efforts in determining the transmission: (1) Convert the WNR beamline lattice from TRANSPORT to HPSim for use in the simulation; (2) Simulate the optimization process in the Central Control Room (CCR) that brings down the losses by up to a factor of 4000 between the end of the initial physics-based tuneup phase and production beam operation; (3) Analyze operational data to deduce measured transmissions. Table 1 shows the estimated losses with HPSim and operational analysis. Finally, a better measurement and other improvements to refine the results are also proposed.

43 PARTICLE ACCELERATORS↗

Design of a high power 8 MeV electron beam injector for the LERF

We present the beamline design for a high power 8 MeV electron injector to be installed at the Low Energy Recirculator Facility (LERF). The injector is designed to provide beam power of up to 80 kW for testing positron source target candidates. We discuss the results of beam dynamics simulations conducted using the General Particle Tracer (GPT) software, where electromagnetic beamline elements were optimized using multi-objective genetic algorithm tools. Additionally, we present preliminary studies on secondary particle generation from both rotating solid and free surface liquid metal jet targets described elsewhere in this workshop.

Lizarraga-Rubio, Victor [Thomas Jefferson National↗

Design of a high power 8 MeV electron beam injector for the LERF

Here, we present the beamline design for a high power 8 MeV electron injector to be installed at the Low Energy Recirculator Facility (LERF). The injector is designed to provide beam power of up to 80 kW for testing positron source target candidates. We discuss the results of beam dynamics simulations conducted using the General Particle Tracer (GPT) software, where electromagnetic beamline elements were optimized using multi-objective genetic algorithm tools. Additionally, we present preliminary studies on secondary particle generation from both rotating solid and free surface liquid metal jet targets described elsewhere in this workshop.

Lizarraga-Rubio, Victor Manuel [Thomas Jefferson N↗

Memory and CPU efficient coherent mode decomposition of partially coherent synchrotron radiation with subtraction of common quadratic phase terms

Application examples of a memory and CPU efficient coherent mode decomposition (CMD) method for wave-optics based simulation of the partially coherent undulator radiation propagation through a hard X-ray beamline in a 3rd generation synchrotron radiation source are presented. The high efficiency of the method is achieved thanks to the analytical treatment of the common quadratic phase terms that are developed in the phase of cross-spectral density (CSD) of partially coherent radiation at a distance from source. This treatment allows for a considerable, several orders of magnitude, reduction of the 4D CSD mesh density (and the memory occupied by the CSD) required for ensuring sufficient accuracies of wavefront propagation simulations with the modes produced by the CMD at a beamline entrance. This method, implemented in the “Synchrotron Radiation Workshop” open-source software, dramatically increases the feasibility of the CMD of 4D CSD for producing 2D coherent modes for a large variety of applications at storage rings and other types of radiation sources.

36 MATERIALS SCIENCE↗

Calculation of rf-induced temporal jitter in ultrafast electron diffraction

A significant contribution to the temporal resolution of an ultrafast electron diffraction (UED) instrument is arrival time jitter caused by amplitude and phase variation of radio-frequency (rf) cavities. In this paper, we present a semianalytical approach for calculating rf-induced temporal jitter from klystron and rf cavity parameters. Our approach allows fast estimation of temporal jitter for MeV-UED beamlines and can serve as a virtual timing tool when shot-to-shot measurements of rf amplitude and phase jitters are available. A simulation study for the SLAC MeV-UED instrument is presented, and the temporal resolution of several beamline configurations is compared.

47 OTHER INSTRUMENTATION↗