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At least 109 records · Page 6

Robust errant beam prognostics with conditional modeling for particle accelerators

Abstract Particle accelerators are complex and comprise thousands of components, with many pieces of equipment running at their peak power. Consequently, they can fault and abort operations for numerous reasons, lowering efficiency and science output. To avoid these faults, we apply anomaly detection techniques to predict unusual behavior and perform preemptive actions to improve the total availability. Supervised machine learning (ML) techniques such as siamese neural network models can outperform the often-used unsupervised or semi-supervised approaches for anomaly detection by leveraging the label information. One of the challenges specific to anomaly detection for particle accelerators is the data’s variability due to accelerator configuration changes within a production run of several months. ML models fail at providing accurate predictions when data changes due to changes in the configuration. To address this challenge, we include the configuration settings into our models and training to improve the results. Beam configurations are used as a conditional input for the model to learn any cross-correlation between the data from different conditions and retain its performance. We employ conditional siamese neural network (CSNN) models and conditional variational auto encoder (CVAE) models to predict errant beam pulses at the spallation neutron source under different system configurations and compare their performance. We demonstrate that CSNNs outperform CVAEs in our application.

43 PARTICLE ACCELERATORS↗

Multi-module-based CVAE to predict HVCM faults in the SNS accelerator

We present a multi-module framework based on Conditional Variational Autoencoder (CVAE) to detect anomalies in the power signals coming from multiple High Voltage Converter Modulators (HVCMs). We condition the model with the specific modulator type to capture different representations of the $\mathcal{normal}$ waveforms and to improve the sensitivity of the model to identify a specific type of fault when we have limited samples for a given module type. We studied several Artificial Neural Network (ANN) architectures for our CVAE model and evaluated the model performance by looking at their loss landscape for stability and generalization. Our results for the Spallation Neutron Source (SNS) experimental data show that the trained model generalizes well to detecting multiple fault types for several HVCM module types. The results of this study can be used to improve the HVCM reliability and overall SNS uptime.

43 PARTICLE ACCELERATORS↗

Distance preserving machine learning for uncertainty aware accelerator capacitance predictions

Abstract Accurate uncertainty estimations are essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard for this task; however, they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques has shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

43 PARTICLE ACCELERATORS↗

New generation bunch shape monitor for ion accelerators

Measuring longitudinal beam parameters is important for operation and development of high intensity linear accelerators, but it is notoriously difficult for proton and ion beams at non-relativistic energies. The Bunch Shape Monitor (BSM) is a device used for measuring the longitudinal bunch distribution in ion linacs. The existing BSM models have poor electron collection efficiency from the wire and are limited to one-dimensional measurements of the phase coordinate. In response to this problem, we have developed a new generation BSM with improved performance. The proposed design incorporates three major innovations: First, the collection efficiency was improved by adding a focusing field between the wire and the entrance slit, which will also allow measurements over a much wider dynamic range. Second, an improvement in the measurement speed was achieved by sampling longitudinal profiles of multiple energy slices simultaneously, where the BSM wire is placed at the exit of an ion spectrometer so that ions with different energies hit the wire at different horizontal coordinates along the wire. Finally, the design incorporates a motion system that can shift the wire and deflecting cavity together, enabling transverse profile measurements like a wire scanner. Here, in this paper, we will provide the design of the new BSM and report on its beam test results at the Spallation Neutron Source facility in Oak Ridge National Laboratory.

43 PARTICLE ACCELERATORS↗

Thermal deflection in neutron scattering sample environments at Oak Ridge National Laboratory

The neutron sources at Oak Ridge National Laboratory use a wide suite of sample environment equipment to deliver extreme conditions for a number of experiments. Much of this instrumentation focuses on extremes of temperature, such as cryostats, closed-cycle refrigerators in both low and high temperature configurations, and radiant heating furnaces. When the temperature is controlled across a large range, thermal deflection effects can notably move the sample and affect its alignment in the beam. Here, we combine these sample environments with neutron imaging and machine vision to determine the motion of a representative sample with respect to the neutron beam. We find vertical sample displacement on the order of 1–2 mm and horizontal displacement that varies from near-negligible to 1.2 mm. While these deflections are not relevant for some of the beamlines at the first target station at the spallation neutron source and the high flux isotope reactor, they will become critical for upcoming instrumentation at the second target station, as well as any instruments targeting sub-mm samples, as neutron sources and optics evolve to smaller and more focused beams. We discuss mitigation protocols and potential modifications to the environment to minimize the effect of misalignment due to thermal deflection.

47 OTHER INSTRUMENTATION↗

Compact, portable, automatic sample changer stick for cryostats and closed-cycle refrigerators

Beamlines are facilities that produce and deliver highly focused and intense beams of radiation, typically x rays, synchrotron radiation, or neutrons, for scientific research purposes. Millions of dollars are spent annually to maintain and operate these scientific beamlines, oftentimes running continuously between cycles. To reduce human intervention and improve productivity, mechanical sample changers are often commissioned for use. Designing sample changers is difficult because mechanical parts can be bulky, expensive, and challenging to design for instruments with low volume access, high radiation, and cryogenic environments. We present a portable and inexpensive sample changer stick that can hold and manipulate up to four samples, specifically designed for use with cryogenic closed-cycle refrigerators. The sample changer stick enables rapid and efficient exchange of samples without manual intervention, and is compatible with standard sample mounts such as vanadium cans. The sample changer stick includes a motorized rotation and lancing mechanism, which enables the precise positioning of each sample in the neutron beam, while ensuring compatibility with the operating temperatures and vacuum conditions required for closed-cycle refrigerators. The design has been successfully tested at the VISION beamline at the Spallation Neutron Source. The mechanical action and software controls are detailed. Furthermore, the sample changer stick is a valuable tool for scientists working with cryogenic closed-cycle refrigerators.

36 MATERIALS SCIENCE↗

Virtual to Physical: Reinforcement Learning to Optimize SNS Particle Accelerator Controls

Complex accelerators must have control systems that can handle dynamic nonlinear environments. This makes traditional control methods unsuitable as they can struggle to adapt to these uncertainties. This provides an ideal environment for reinforcement learning algorithms as they are adaptable and generalizable. We present a reinforcement learning pipeline that can effectively handle the dynamics of a complex accelerator. We test and prove our pipelines capabilities on multiple environments including the Spallation Neutron Source (SNS) and the Beam Test Facility (BTF) at Oakridge National Lab (ORNL). Due to the limited time available to train an online algorithm like reinforcement learning on a real accelerator, we utilize a virtual twin accelerator (VIRAC) developed by ORNL to pretrain the policy and show its ability to converge in the virtual environment. We then test the adaptability of the pretrained RL model by applying it on the real accelerator and comparing the results. Utilizing our Scientific Optimization and Controls Toolkit (SOCT) and open-source standards such as Gymnasium we create and solve for a MEBT orbit correction problem in the SNS and an emittance maximization problem in the BTF. We show how Twin Delayed Deep Deterministic Policy Gradient (TD3) can solve this optimization environment in the virtual accelerator and transfer this policy onto the real accelerator for inference and model retraining. We show how reinforcement learning can be utilized as a control system for complex accelerators and provide a model pipeline for how an implementation performs and can be adapted to new accelerator control problems.

Kasparian, Armen [Thomas Jefferson National Accele↗

Origin, parameters, and underlying deformation mechanisms of propagating deformation bands in irradiated 316L stainless steel

Lüders-type propagating deformation bands were observed in specimens of irradiated 316L stainless steel samples removed from Spallation Neutron Source target vessels after service. Mechanical testing with digital image correlation (DIC) and in-situ tensile testing with scanning electron microscopy electron backscatter diffraction showed that the observed Lüders-type behavior was not related to the known transformation-induced plasticity or twinning-induced plasticity behavior. Instead, the phenomenon occurs at small local strain values before a significant amount of martensite or deformation twins appear in the microstructure. Microstructural analysis and in-situ mechanical test results suggest Lüders-type band formation and propagation were related to the appearance and evolution of defect-free channels—analogous to slip bands. A modified Swift equation with a Ludwigson-like component was offered to rationalize the phenomenon and model the strain-softening processes at small strain values. Finally, the results indicate complex microstructural processes and deformation mechanisms were active at small strain values and underline the benefits of advanced mechanical test approaches such as DIC.

36 MATERIALS SCIENCE↗

An unstructured mesh based neutronics optimization workflow

We have developed a fully automated workflow to optimize the neutronics performance of the Second Target Station (STS) at the Oak Ridge National Laboratory’s Spallation Neutron Source. The optimization workflow starts with the parametrized solid CAD engineering models and converts them into the unstructured mesh (UM) models for the neutronics calculations with MCNP6.2. Calculations are executed and their results are loaded into the Dakota optimization toolkit. Dakota analyzes the results and proposes new geometry parameters for the next design iteration. The cycle repeats until the optimal parameters are found. The automated CAD to MCNP conversion, the use of high-fidelity UM models, and the use of modern optimizer are the key elements that advance the entire optimization workflow in comparison with the original workflow. The original workflow was based on a simplified constructive solid geometry (CSG) modeling with MCNPX, mcnp_pstudy tool, and an in-house optimizer. Herein to demonstrate the new workflow, we present a case of neutronics optimization of the moderator–reflector assembly (MRA). Apart from the MRA, the workflow can optimize other major STS components, such as the spallation target, neutron beamlines, radiation shielding, and various accelerator components. Importantly, the new workflow opens the door to the advanced multi-physics multi-parameter optimization and has the potential for use in other nuclear physics and accelerator applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Inelastic Neutron Scattering Data for Ba₃Zn(Ru₀.₁Sb₁.₉)O₉

This dataset contains inelastic neutron scattering measurements on the magnetically dilute compound Ba₃Zn(Ru₀.₁Sb₁.₉)O₉, collected at the Spallation Neutron Source using the Cold Neutron Chopper Spectrometer (CNCS) and the SEQUOIA Fine-Resolution Fermi Chopper Spectrometer. The sample consists of nominally 5% magnetic Ru⁵⁺ ions (S = 3/2) randomly substituted into a diamagnetic Sb⁵⁺ matrix. Measurements were performed at base temperature (2–5 K) and 300 K using multiple incident energies (1.00, 3.32, 12.0, and 100 meV) to resolve magnetic excitations from isolated monomers and small Ru clusters (dimers, trimers, etc.). The dataset includes raw event-mode files, momentum- and energy-resolved spectra, and supporting metadata for instrument configuration, sample environment, and reduction parameters.

36 MATERIALS SCIENCE↗

Impact of post-irradiation annealing on mechanical performance of irradiated 718 alloy

Here, the effect of post-irradiation annealing on solution-annealed 718 alloy was investigated using advanced mechanical testing, fractography, scanning electron microscopy, and transmission electron microscopy. Specimens were extracted from a proton beam window operated at the Spallation Neutron Source, irradiated with 940 MeV protons to a maximum dose of approximately 9.7 displacements per atom (dpa) at a calculated temperature not exceeding 110 °C while in service. Helium and hydrogen concentrations reached about 1700 and 6900 atomic parts per million (appm), respectively. Despite irradiation and high tensile strength (yield stress over 1 GPa), the material exhibited significant ductility. Annealing at 500 °C, 700 °C, and 900 °C for 30 min resulted in an appreciable decrease in yield strength and an increase in ductility for annealing treatments at 500 °C and 900 °C relative to the strength and ductility of the as-irradiated material. The presence of helium and hydrogen led to cavity formation and cleavage-like brittle features on fractured surfaces; however, high-magnification imaging revealed the presence of small-scale ductile dimples, indicating that the fracture mechanism remained mixed. The annealed specimens retained total elongation levels of 14–33 %, and there was no sudden drop in ductility after heat treatments. The ductility level in the irradiated and annealed material is notable despite the presence of helium and hydrogen.

36 MATERIALS SCIENCE↗

Early Fault Detection in Particle Accelerator Power Electronics Using Ensemble Learning

Early fault detection and fault prognosis are crucial to ensure efficient and safe operations of complex engineering systems such as the Spallation Neutron Source (SNS) and its power electronics (high voltage converter modulators). Following an advanced experimental facility setup that mimics SNS operating conditions, the authors successfully conducted 21 early fault detection experiments, where fault precursors are introduced in the system to a degree enough to cause degradation in the waveform signals, but not enough to reach a real fault. Nine different machine learning techniques based on ensemble trees, convolutional neural networks, support vector machines, and hierarchical voting ensembles are proposed to detect the fault precursors. Although all 9 models have shown a perfect and identical performance during the training and testing phase, the performance of most models has decreased in the next test phase once they got exposed to realworld data from the 21 experiments. The hierarchical voting ensemble, which features multiple layers of diverse models, maintains a distinguished performance in early detection of the fault precursors with 95% success rate (20/21 tests), followed by adaboost and extremely randomized trees with 52% and 48% success rates, respectively. The support vector machine models were the worst with only 24% success rate (5/21 tests). The study concluded that a successful implementation of machine learning in the SNS or particle accelerator power systems would require a major upgrade in the controller and the data acquisition system to facilitate streaming and handling big data for the machine learning models. In addition, this study shows that the best performing models were diverse and based on the ensemble concept to reduce the bias and hyperparameter sensitivity of individual models.

43 PARTICLE ACCELERATORS↗

EWALD: A macromolecular diffractometer for the second target station

Revealing the positions of all the atoms in large macromolecules is powerful but only possible with neutron macromolecular crystallography (NMC). Neutrons provide a sensitive and gentle probe for the direct detection of protonation states at near-physiological temperatures and clean of artifacts caused by x rays or electrons. Currently, NMC use is restricted by the requirement for large crystal volumes even at state-of-the-art instruments such as the macromolecular neutron diffractometer at the Spallation Neutron Source. EWALD’s design will break the crystal volume barrier and, thus, open the door for new types of experiments, the study of grand challenge systems, and the more routine use of NMC in biology. EWALD is a single crystal diffractometer capable of collecting data from macromolecular crystals on orders of magnitude smaller than what is currently feasible. The construction of EWALD at the Second Target Station will cause a revolution in NMC by enabling key discoveries in the biological, biomedical, and bioenergy sciences.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CHESS: The future direct geometry spectrometer at the second target station

CHESS, chopper spectrometer examining small samples, is a planned direct geometry neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to small cross sections (e.g., small mass, small magnetic moments, or neutron absorbing materials) in powders, liquids, and crystals. CHESS is optimized to enable transformative investigations of quantum materials, spin liquids, thermoelectrics, battery materials, and liquids. The broad dynamic range of the instrument is also well suited to study relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of the Second Target Station at the Spallation Neutron Source enables the use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single measurement. Furthermore, the high flux grants an enhanced capability for polarization analysis. This enables the separation of nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials over a large range of energy and momentum transfer. This paper presents optimizations and technical solutions to address the key requirements envisioned in the science case and the anticipated uses of this instrument.

47 OTHER INSTRUMENTATION↗

Cinematic reflectometry using QIKR, the quite intense kinetics reflectometer

The Quite Intense Kinetics Reflectometer (QIKR) will be a general-purpose, horizontal-sample-surface neutron reflectometer. Reflectometers measure the proportion of an incident probe beam reflected from a surface as a function of wavevector (momentum) transfer to infer the distribution and composition of matter near an interface. The unique scattering properties of neutrons make this technique especially useful in the study of soft matter, biomaterials, and materials used in energy storage. Exploiting the increased brilliance of the Spallation Neutron Source Second Target Station, QIKR will collect specular and off-specular reflectivity data faster than the best existing such machines. It will often be possible to collect complete specular reflectivity curves using a single instrument setting, enabling “cinematic” operation, wherein the user turns on the instrument and “films” the sample. Samples in time-dependent environments (e.g., temperature, electrochemical, or undergoing chemical alteration) will be observed in real time, in favorable cases with frame rates as fast as 1 Hz. Cinematic data acquisition promises to make time-dependent measurements routine, with time resolution specified during post-experiment data analysis. This capability will be deployed to observe such processes as in situ polymer diffusion, battery electrode charge–discharge cycles, hysteresis loops, and membrane protein insertion into lipid layers.

47 OTHER INSTRUMENTATION↗

Monitoring the SNS basement neutron background with the MARS detector

Here, we present the analysis and results of the first dataset collected with the MARS neutron detector deployed at the Oak Ridge National Laboratory Spallation Neutron Source (SNS) for the purpose of monitoring and characterizing the beam-related neutron (BRN) background for the COHERENT collaboration. MARS was positioned next to the COH-CsI coherent elastic neutrino-nucleus scattering detector in the SNS basement corridor. This is the basement location of closest proximity to the SNS target and thus, of highest neutrino flux, but it is also well shielded from the BRN flux by infill concrete and gravel. Furthermore, these data show the detector registered roughly one BRN per day. Using MARS' measured detection efficiency, the incoming BRN flux is estimated to be 1.20 ± 0.56 neutrons/m 2 /MWh for neutron energies above ~3.5 MeV and up to a few tens of MeV. We compare our results with previous BRN measurements in the SNS basement corridor reported by other neutron detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments

We introduce a computational framework that integrates artificial intelligence (AI), machine learning, and high-performance computing to enable real-time steering of neutron scattering experiments using an edge-to-exascale workflow. Focusing on time-of-flight neutron event data at the Spallation Neutron Source, our approach combines temporal processing of four-dimensional neutron event data with predictive modeling for multidimensional crystallography. At the core of this workflow is the Temporal Fusion Transformer model, which provides voxel-level precision in predicting 3D neutron scattering patterns. The system incorporates edge computing for rapid data preprocessing and exascale computing via the Frontier supercomputer for large-scale AI model training, enabling adaptive, data-driven decisions during experiments. This framework optimizes neutron beam time, improves experimental accuracy, and lays the foundation for automation in neutron scattering. Although real-time experiment steering is still in the proof-of-concept stage, the demonstrated potential of this system offers a substantial reduction in data processing time from hours to minutes via distributed training, and significant improvements in model accuracy, setting the stage for widespread adoption across neutron scattering facilities and more efficient exploration of complex material systems.

97 MATHEMATICS AND COMPUTING↗

In Situ Thermodynamics and Kinetics of Mixed-Valence Inorganic Crystal Formation

We have found that the established methods to discover and produce earth-abundant iron-containing active layers are very inefficient. The prospective new material iron silicon sulfide, Fe 2 SiS 4 , was previously only synthesized by slow reactions of metallic iron, silicon, and sulfur powders, resulting in poor yield. We found that using an ordered iron-silicon alloy as a feedstock results in a much faster reaction at a lower temperature. We could track this reaction using our unique in-situ X-ray diffractometer, which allows us to heat our encapsulated material up to 1000°C while providing a simultaneous picture of how the atoms in the structure rearrange. We are using this powerful new technique to search for new active layers and optimize their formation by creative use of more complex reagents. Our key accomplishments are mechanisms for improving synthesis, and new materials that result from them. We have demonstrated the utility of high-throughput, DOE-developed infrastructure, such as the Materials Project, to accelerate materials discovery and synthesis. We have pioneered new capabilities of user facilities, such as beamlines 6-BM, 17-BM, and 11-BM at the Advanced Photon Source (APS) and POWGEN and NOMAD at the Spallation Neutron Source.

36 MATERIALS SCIENCE↗