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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A statistical model to predict ignition probability

Ignition capability is a critical design constraint for aeronautical gas turbines. However the current trend toward overall lean burn is detrimental to the engine ignition and relight and the ignition system must be adapted to ensure a fast and reliable light-round in all circumstances. As ignition is a stochastic phenomenon, the optimization of an ignition system requires to build ignition probability maps, which is difficult and costly with either experiment or numerical simulation as both require many tests. Here, this work proposes a model to predict the ignition probability map, knowing only flow statistics in non-reacting conditions, i.e., with only one test. The originality of the model is to construct statistics of the flame kernel trajectory, which are then combined with local flow indicators to evaluate the ignition probability at the considered sparking location. Application to a swirled burner operated in premixed, non-premixed and spray combustion modes illustrates the model concepts and demonstrates its ability to recover the experimental ignition map with good accuracy.

42 ENGINEERING↗
DOE OSTI2021

Optimizing and Extending the Functionality of EXARL for Scalable Reinforcement Learning [Slides]

The main goal of the Co-Design Summer School 2021 is to provide algorithmic improvements to EXARL framework by improving performance and by adding functionalities. This presentation includes an introduction to reinforcement learning and to EXARL. The researchers expanded the capability of EXARL by including additional agents like (Asynchronized) Advantage Actor Critic (A2C/A3C) and Twin Delayed Deep Deterministic Policy Gradient (TD3). They also explored algorithmic improvements such as v-trace and Prioritized Experience Replay. They found that A2C/A3C performed best with v-trace and outperformed Deep Q-Network (DQN) on both the CartPole game and the ExaBooster scientific environment. Additionally, they found that TD3 performed as good as the existing Deep Deterministic Policy Gradient (DDPG) agent and that adding Prioritized Experience Replay to DDPG accelerated convergence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

End-to-End Simulations of a 3.4-Meter Detector Wall for Neutron-Diagnosed Subcritical Experiments

The Nevada National Security Site, together with Los Alamos National Laboratory and Lawrence Livermore National Laboratory, is developing a novel diagnostic to measure the reactivity of subcritical experiments. This capability is known as neutron-diagnosed subcritical experiments. The decay of the fission gamma rays from the neutron-interrogated subcritical experiment is measured as a function of time with a large (~3-meter diameter) detector wall consisting of 151 individual detector pixels. The data from this current mode measurement inform the neutron multiplication factor, keff, and thus the relative reactivity of the subcritical experiment. The Nevada National Security Site developed the Gamma Array Simulation Toolkit initially to help inform the design of the individual detector pixels and the 3.4-meter diameter detector wall to be fielded as part of neutron-diagnosed subcritical experiments. This toolkit is now being used to simulate and predict the performance of the final design of the individual detector pixels and the aggregate detector wall. Key detector characteristics evaluated from these simulations include impulse response, pulse height spectrum, number of photoelectrons per MeV, detector efficiency, and cross talk between detector pixels. Collectively, the results of these simulations inform how well the fission gamma ray die-off distribution from a neutron-diagnosed subcritical experiment measurement can be resolved. This is critical to determining the relative reactivity of the experiment. Furthermore, the Gamma Array Simulation Toolkit can be used to aid in the analysis of the experimental data from a neutron-diagnosed subcritical experiment measurement once the simulation has been benchmarked.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

End-to-End Simulations of a 3.4-Meter Detector Wall for Neutron-Diagnosed Subcritical Experiments

The Nevada National Security Site, together with Los Alamos National Laboratory and Lawrence Livermore National Laboratory, is developing a novel diagnostic to measure the reactivity of subcritical experiments. This capability is known as neutron-diagnosed subcritical experiments. The decay of the fission gamma rays from the neutron-interrogated subcritical experiment is measured as a function of time with a large (~3-meter diameter) detector wall consisting of 151 individual detector pixels. The data from this current mode measurement inform the neutron multiplication factor, keff, and thus the relative reactivity of the subcritical experiment. The Nevada National Security Site developed the Gamma Array Simulation Toolkit initially to help inform the design of the individual detector pixels and the 3.4-meter diameter detector wall to be fielded as part of neutron-diagnosed subcritical experiments. This toolkit is now being used to simulate and predict the performance of the final design of the individual detector pixels and the aggregate detector wall. Key detector characteristics evaluated from these simulations include impulse response, pulse height spectrum, number of photoelectrons per MeV, detector efficiency, and cross talk between detector pixels. Collectively, the results of these simulations inform how well the fission gamma ray die-off distribution from a neutron-diagnosed subcritical experiment measurement can be resolved. This is critical to determining the relative reactivity of the experiment. Furthermore, the Gamma Array Simulation Toolkit can be used to aid in the analysis of the experimental data from a neutrondiagnosed subcritical experiment measurement once the simulation has been benchmarked.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Bubble Chamber Detectors with Light Nuclear Targets: A Snowmass 2021 White Paper

Neutrino cross sections are a critical ingredient in experiments that depend on neutrino scattering to reconstruct event kinematics and infer neutrino characteristics, like NOvA and T2K. An opportunity exists to reduce the 5-10% broad uncertainty on neutrino cross sections by producing more measurements of neutrino scattering from light nuclear targets at the relevant energies. Bubble chambers with light nuclear targets would be ideal for these measurements but the most recent device designed for use with an accelerator neutrino source is at least fifty years old. A new bubble chamber with light nuclear targets could be designed by observing how the technology has progressed for use in dark matter experiments and producing smaller modular devices that use more efficient cooling systems. A smaller modular device could also be designed for deployment to all functioning neutrino beams, but an investigation of the proper operating characteristics is necessary to adapt newer detectors to the structure of contemporary neutrino beams.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Nuclear Criticality Experiments Research Center Futures: A Report of a Workshop held September 6-9, 2022, Los Alamos, NM, November, 2022

Experiments and training with critical assemblies and fissionable material (at or near the critical state) that explore reactivity phenomena are central to a number of national security challenges. From fission energy to nuclear weapons to a broad suite of scientific challenges, it is clear that additional capacity and capability are needed. The National Criticality Experiments Research Center (NCERC) marked 10 years of operations in 2021. This anniversary was an opportune time to celebrate our successes and progress, and to evaluate the remaining and emergent challenges. Against this backdrop, a workshop of approximately 140 national and international leaders in nuclear research was convened in Los Alamos, New Mexico to explore “NCERC Futures.” Therefore, the present workshop focused specifically on needed capabilities and tools to meet the research challenges in eight topical mission areas served by NCERC. As each Topical Group summarized their discussions in the out brief, it was recognized that key challenges could be met through enabling infrastructure investments and new critical assemblies. Enabling infrastructure includes staffing, additional space/buildings, developing an agile bounding safety basis, the ability to keep pace with technological advances in detectors and data acquisition systems (allowing use of those with Bluetooth™ and similar technologies), an expanded set of materials options (especially plutonium), a “Plug and Play” design and implementation mindset, and a facility that enabled free-field measurements. The new critical assemblies that were identified as having the most impact were a bare plutonium (Pu) Critical Assembly, a Horizontal Split Table (HST), a Super Comet, and a Uranium Solution Burst Assembly. NECRC is a unique, one-of-a-kind facility in the United States. If all the improvements were to be made, NCERC would enable the United States and its partners to address many important research questions related to criticality. These include but are not limited to: (1) Covering the entire neutron energy spectrum for both highly enriched uranium (HEU) and Pu in configurations for virtually all conceivable applications; (2) Performing multi-physics solution experiments and irradiations with a Uranium Solution Burst Assembly, which more closely resembles actual criticality accidents; (3) Conducting free-field experiments to make basic fission physics measurements and much cleaner benchmarks with various experimental observables; and (4) Providing more training classes and more experiments annually at greater cost efficiency enabled by additional buildings and machines and an agile, bounding, risk-balanced Safety Basis. In the end, workshop attendees enthusiastically concluded that NCERC Futures are bright and the workshop helped to identify a roadmap of capability gaps that need to be addressed. This report documents the results of those efforts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Sample glue layer investigation and mitigation for laser induced prompt impulse experiments

Understanding longer timescale material reactions under dynamic stress loading is critical for applications in materials engineering, shock physics, and planetary science. Prompt impulse experiments generate lower pressures since the ablator—the material first removed by the laser—is thicker and farther from the diagnostic plane, capturing aggregate material responses from the initial shock wave, rarefaction waves, and later time effects. This complexity demands thorough material characterization and simulation support. Since traditional sample construction is specific to supported shock experiments, designing prompt impulse experiments requires reconsideration around target design and sample engineering. Here, we present sample preparation techniques, experimental investigations, and theoretical simulations to investigate glue layer impacts, aiming to standardize samples for consistent data at lower laser fluences. We find that glue layers <30 μm have a minimal impact on peak velocity and pulse shape. The peak velocity scales linearly with glue layer thickness until a glue layer of 75 μm. For glue layers >75 μm, the peak velocity no longer scales with thickness; however, the pulse shape continues to degrade as described by simulations.

Lasers↗
DOE OSTI2025

Self-assembly of wood-based shape memory composites triggered by solar-thermal energy

Transporting and assembling large, complex structures poses significant challenges due to their size, geometry, and cost. Additionally, the installation sites are often inaccessible or hazardous for humans, necessitating self-assembling capabilities in these structures. To mitigate these challenges, we propose using 3D printing materials with shape memory effect (SME) for both transport and construction. This approach involves developing 3D modular components into flat sheets for easier transportation, and then self-assembling into 3D structures on-site using solar energy. To gain a deeper understanding of the factors influencing material memory performance, we have chosen a composite PLA/WF, which is polylactic acid (PLA) with 20 wt% wood flour (WF) for this purpose, leveraging its high tensile modulus at 0.966 GPa, low cost, and sustainability. Printed shapes with this material can maintain a recovery ratio over 90% after 3 cycles. While traditional composites fillers (e.g. glass or carbon fiber) are added to enhance mechanical and thermal properties, the addition of bio-based fillers like WF accomplish similar goals without compromising sustainability. We conducted multiple experiments to demonstrate how environmental conditions (i.e. temperature) maximize the material’s SME. Although still at an early stage, this study provides initial insights into bridging the gap between the small-scale nature of shape memory polymers (SMPs) and their potential for large-scale additive manufacturing, addressing a critical need for efficient and sustainable construction. In the long term, we hope our study contributes to the design vision of utilizing SMPs for transportation, assembly, and deployment of complex structures, providing a new pathway for sustainable construction and transportation of large-scale structures to hard-to-access locations such as disaster-affected areas and remote deserts, etc.

4D printing↗
DOE OSTI2021

End-to-End Simulations of a 3.4-Meter Detector Wall for Neutron-Diagnosed Subcritical Experiments

The Nevada National Security Site, together with Los Alamos National Laboratory and Lawrence Livermore National Laboratory, is developing a novel diagnostic to measure the reactivity of subcritical experiments. This capability is known as neutron-diagnosed subcritical experiments. The decay of the fission gamma rays from the neutron-interrogated subcritical experiment is measured as a function of time with a large (~3-meter diameter) detector wall consisting of 151 individual detector pixels. The data from this current mode measurement inform the neutron multiplication factor, keff, and thus the relative reactivity of the subcritical experiment. The Nevada National Security Site developed the Gamma Array Simulation Toolkit initially to help inform the design of the individual detector pixels and the 3.4-meter diameter detector wall to be fielded as part of neutron-diagnosed subcritical experiments. This toolkit is now being used to simulate and predict the performance of the final design of the individual detector pixels and the aggregate detector wall. Additionally, key detector characteristics evaluated from these simulations include impulse response, pulse height spectrum, number of photoelectrons per MeV, detector efficiency, and cross talk between detector pixels. Collectively, the results of these simulations inform how well the fission gamma ray die-off distribution from a neutron-diagnosed subcritical experiment measurement can be resolved. This is critical to determining the relative reactivity of the experiment. Furthermore, the Gamma Array Simulation Toolkit can be used to aid in the analysis of the experimental data from a neutron-diagnosed subcritical experiment measurement once the simulation has been benchmarked.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Increased accuracy of multiphysics simulations through flexible execution, transient algorithms, and modular physics

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple time integrators in the same input file, initial design of framework Components, an input file Application block, extension of NetGen to 3D geometries in MOOSE, and deployment of executors in the multi-system paradigm. These five additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Assessing the limitations of commercial sensors and models for supporting marine carbon dioxide removal monitoring: a case study

Several unknowns remain surrounding marine Carbon Dioxide Removal (mCDR) monitoring, reporting, and verification (MRV) practices and capabilities. Current in-situ sensor technology is limited (primarily pH and pCO 2 ), requiring calculations and assumptions to estimate changes in carbonate chemistry parameters, including total alkalinity (TA). Considering that cost, energy consumption, and accuracy of commercial sensors can vary by orders of magnitude, understanding how well existing sensors perform in an mCDR context is important for this emerging community. Likewise, documenting sensor limitations and how relatively simple models can optimize sensor deployments will improve MRV efforts and support protocol development. Here we (1) compare performance a variety of commercially available sensors in a blind mesocosm experiment simulating ocean alkalinity enhancement (OAE), and how sensor performance impacted carbonate chemistry estimates; (2) evaluate if sensors can distinguish the OAE signal from natural variability during a small scale OAE field test in Sequim Bay, WA, USA, and (3) use an idealized ocean biogeochemistry model to explore optimal sensor network design based on (1) and (2). Our mesocosm results indicate that correctly constraining pH uncertainty will be critical for accurate TA estimates with current sensor technology compared to the less impactful variation caused by uncertainty in pCO 2 (pH data that are presented throughout are reported on the total scale (pH T ) unless otherwise noted). Our pilot field test demonstrated that sensors were capable of distinguishing mCDR signatures from natural variability under optimal real-world conditions. Idealized modeling simulations of the field test showed that a range of sparse and dense (3 to 100) sensors sampling areas of detectable increases will underestimate the net change in surface pH by at least 35–55%, at both realistic and highly elevated alkalinity input levels. We also highlight the limitations of current sensing technology for MRV, and the importance of ocean biogeochemistry models as critical tools for predicting when and where mCDR signals will be detectable using available sensors. Overall, our findings suggest that commercially available pCO 2 sensors and some pH sensors will form an important backbone for mCDR MRV tasks, though complete MRV characterization will require these data to be used in combination with other tools.

OAE↗
DOE OSTI2026

Design improvements for a recirculating reactor: Enhanced temperature measurement and sample-isolated reactivity in steady-state kinetic studies

Building upon a previous recirculating reactor design [S.A. Tenney, K. Xie, J.R. Monnier, A. Rodriguez, R.P. Galhenage, S. Audrey, D.A. Chen, Rev. Sci. Instrum. 84, 104101 (2013)], we present significant improvements that address key limitations in steady-state kinetic measurements for heterogeneous catalysis. The enhanced reactor design features direct sample heating with a focused IR lamp and temperature measurement in direct contact with the sample, enabling more accurate temperature control and improved kinetic analysis. A critical advancement is the isolation of sample reactivity from reactor wall contributions, ensuring that only the sample contributes to measured reaction rates. This was a limitation in earlier designs where the entire reactor contributed to the observed reactivity. The system incorporates a bypass flow cell for direct comparison with powder catalysts under identical conditions using a standard plug-flow reactor configuration. We demonstrate these capabilities through CO oxidation experiments on Pt(111) single crystals and graphene-passivated Pt(111), highlighting the system's ability to differentiate catalytic activity in model systems and directly compare them with high surface area powder catalysts. This reactor is particularly suited for thin films and low surface area catalysts that are not effectively evaluated in traditional flow reactors, especially for samples with low numbers of active sites or slow reaction rates.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Feasibility of Lead Fast Reactor Heat Exchanger Tube Online Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, wedges vs. direct application of piezoelectric sensors, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2020

Progress Toward Molten Salt Reactor Heat Exchanger On-Line Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2021

Abrasion wear at high temperature in particle receiver type Concentrating Solar Power Systems

The use of solid particles as a heat transfer fluid in receivers for concentrating solar powerplants has garnered much attention in the past decade. Particles are not only stable at temperatures above 700 °C but are also able to absorb solar energy directly, which gives them a distinct advantage over conventional molten salts. The use of particles can, however, cause material degradation from the flow of hot or cold particles through discharge hoppers or along the inner receiver surfaces and other system components (e.g. tubes, valves etc.), depending on operating mode of the receiver. Stainless steel alloy 316, nickel-based alloy Inconel® 740H®, Haynes 230, and a 60% alumina, low-cement refractory castable from Allied Mineral Products were tested for wear from first-of-a-kind high-temperature low-velocity abrasion-erosion experiments. The tests are designed to simulate potential conditions in Generation 3 falling particle Concentrating Solar Power (CSP) systems. Simultaneous experiments were conducted at room temperature as well to draw comparison on the role of temperature on abrasion wear rates. It was noted that the abrasion wear rate in candidate materials was driven by the oxidation resistance of the material. The findings from these experiments will be used to determine life-time of critical components in particle receiver concentrated solar powerplants.

14 SOLAR ENERGY↗
DOE OSTI2020

Initial Assessment of Availability and Reliability for the PIP-II Superconducting Radio Frequency Linear Accelerator Facility

The Proton Improvement Plan -II (PIP-II) is a high intensity and high energy proton accelerator which will be used to support the neutrino program at Fermilab. The accelerator will deliver a 2 mA average beam current at a kinetic energy of 800 MeV. Due to the requirements from experiments, this accelerator is designed to be a highly reliable and available system. A target availability of the complete accelerator facility was prescribed to be 90%. An availability and reliability assessment of the accelerator was carried out to ascertain that the design can meet the target availability specification. The results were estimated for the nominal operational mode, when an 800 MeV beam is delivered on the target and for the critical operational mode, when a 600 MeV output beam was incident on the target. The design of a complete accel-erator system is a complex arrangement of a large number of components. To simplify the analysis, a few components were shortlisted and based on their functions, an accelerator model was created. The model is represented in the form of reliability block diagrams. Availability and reliability were estimated for each operational mode. To increase the availa-bility and reliability of the overall accelerator, redundancy of one cavity per section in the superconducting portion of the Linac was introduced.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Trigger Detection for the sPHENIX Experiment via Bipartite Graph Networks with Set Transformer

Trigger (interesting events) detection is crucial to high-energy and nuclear physics experiments because it improves data acquisition efficiency. It also plays a vital role in facilitating the downstream offline data analysis process. The sPHENIX detector, located at the Relativistic Heavy Ion Collider in Brookhaven National Laboratory, is one of the largest nuclear physics experiments on a world scale and is optimized to detect physics processes involving charm and beauty quarks. Furthermore, these particles are produced in collisions involving two proton beams, two gold nuclei beams, or a combination of the two and give critical insights into the formation of the early universe. This paper presents a model architecture for trigger detection with geometric information from two fast silicon detectors. Transverse momentum is introduced as an intermediate feature from physics heuristics. We also prove its importance through our training experiments. Each event consists of tracks and can be viewed as a graph. A bipartite graph neural network is integrated with the attention mechanism to design a binary classification model. Compared with the state-of-the-art algorithm for trigger detection, our model is parsimonious and increases the accuracy and the AUC score by more than 15%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The role of coverage effects on the structure–sensitivity of formic acid electrooxidation on Pd surfaces

Direct formic acid (FA) fuel cells (DFAFCs) with Pd anode catalysts are promising for small portable applications. During the electrooxidation of formic acid (FAO), CO accumulates on the Pd electrocatalyst, thereby decreasing its performance. In this work, we use density functional theory (DFT; RPBE) to elucidate the significance of coverage effects on the structure–sensitivity of FAO over four low–index Pd surfaces: Pd(1 1 1), Pd(1 0 0), Pd(1 1 0), and Pd(2 1 1). We construct coverage–dependent Gibbs free energy diagrams and in agreement with experiment, predict that Pd(1 0 0) and Pd(2 1 1) are the most active surfaces. Additionally, we find that the presence of CO spectator species can alter the preferred electrooxidation pathway under different applied potentials. Furthermore, such pathway transitions appear to be critical for rationalizing experimental trends regarding electrocatalytic activity and are only captured when coverage effects are accounted for. Insights derived from this work may facilitate the design of improved FAO electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗