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DOE OSTI2024

Light Water Reactor Sustainability Program: Use of Time Distributions to Predict Operator Procedure Performance in Dynamic Human Reliability Analysis

The Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) framework affords software capable of conducting human reliability analysis (HRA) using a dynamic approach built around operating procedures (OPs) from nuclear power plants (NPPs). Previous HUNTER reports document the development of this software tool, the coupling of HUNTER to the simulator code, the collection of operator performance data by using simulators to calibrate HUNTER models, and linking HUNTER to probabilistic risk assessment (PRA) software. The present report largely addresses two topics. The first is a new function in HUNTER called the HUNTER Procedure Performance Predictor (P3). HUNTER P3 uses HUNTER’s built in Monte Carlo tools featuring human performance variability to identify potential error traps in procedures. The second topic is time distribution analysis to generate time inputs for dynamic HRA. The current analysis was performed to investigate time distributions for task primitives, which are the minimum task unit of analysis used in dynamic HRA modeling. Using the time distribution data, the elapsed time for human actions in an extended loss of AC power (ELAP) scenario is then investigated. Time data and prediction are essential for modeling procedure performance.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Enhanced Monte Carlo Simulations for Electron Energy Loss Mitigation in Real-Space Nanoimaging of Thick Biological Samples and Microchips

High-resolution imaging using Transmission Electron Microscopy (TEM) is essential for applications such as grain boundary analysis, microchip defect characterization, and biological imaging. However, TEM images are often compromised by electron energy spread and other factors. In TEM mode, where the objective and projector lenses are positioned downstream of the sample, electron–sample interactions cause energy loss, which adversely impacts image quality and resolution. This study introduces a simulation tool to estimate the electron energy loss spectrum (EELS) as a function of sample thickness, covering electron beam energies from 300 keV to 3 MeV. Leveraging recent advances in MeV-TEM/STEM technology, which includes a state-of-the-art electron source with 2-picometer emittance, an energy spread of 3 × 10 -5 , and optimized beam characteristics, we aim to minimize energy spread. By integrating EELS capabilities into the BNL Monte Carlo (MC) simulation code for thicker samples, we evaluate electron beam parameters to mitigate energy spread resulting from electron–sample interactions. Based on our simulations, we propose an experimental procedure for quantitively distinguishing between elastic and inelastic scattering. The findings will guide the selection of optimal beam settings, thereby enhancing resolution for nanoimaging of thick biological samples and microchips.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Epithermal Neutron Resonance Analysis Using a Compact D-T Generator

Nuclear material identification and isotopic composition analysis are important capabilities for safeguards and the verification of nuclear arms control and nonproliferation treaties. Epithermal neutron resonance imaging has been proposed for spent fuel assay measurements, and the development of a mobile neutron imaging system could provide such a tool for on-site applications. This technique is highly sensitive to isotopes of interest for safeguards applications (e.g. 235,238 U, 238,239,240 Pu) and yields unique transmission spectra for a target containing actinides and some mid- and high-Z elements. Paired with a position-sensitive neutron detector, such a system could provide spatial information of the target isotopic composition. Recent progress in the development of high intensity neutron sources could make mobile epithermal neutron imaging designs increasingly feasible to serve as a tool for nuclear inspectors. In this work, Monte Carlo (MC) simulations were performed to further optimize a previous design for an epithermal neutron resonance-based analysis apparatus using a D-T portable neutron generator. Additionally, experimental work is being performed to test the feasibility of this method. The MC simulations of moderation time distributions for different moderator compositions and thicknesses were measured to provide a multi-group correction for neutron time-of-flight energy reconstruction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Forward and inverse predictive transient models of TREAT using surrogate reactivity models

In this work, we present two novel approaches for predicting the power evolution and control rod height of the Transient Reactor Test Facility (TREAT) to support experiment modeling; specifically, transient analysis of the NASA-sponsored Sirius series of experiments. These approaches utilize steady-state Monte Carlo model, point kinetics model, and surrogate models to predict power evolution and control rod axial position during transient experiments. Both approaches were tested and validated against several Sirius experiments that were performed in the TREAT facility at different power levels. The validation test results show very good agreement with the experimental data, and the models were able to accurately predict the power evolution and the axial control rod position with an average error within 3.0%. Finally, this indicates that these approaches will help the reactor engineering team of the TREAT facility in preparing and predicting the power and temperature of the experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

A warm super-Neptune around the G-dwarf star TOI-1710 revealed with TESS, SOPHIE, and HARPS-N

We report the discovery and characterization of the transiting extrasolar planet TOI-1710 b. It was first identified as a promising candidate by the Transiting Exoplanet Survey Satellite. Its planetary nature was then established with SOPHIE and HARPS-N spectroscopic observations via the radial-velocity method. The stellar parameters for the host star are derived from the spectra and a joint Markov chain Monte-Carlo adjustment of the spectral energy distribution and evolutionary tracks of TOI-1710. A joint MCMC analysis of the TESS light curve and the radial-velocity evolution allows us to determine the planetary system properties. From our analysis, TOI 1710 b is found to be a massive warm super-Neptune (M p = 28.3 ± 4.7 M ⊕ and R p = 5.34 ± 0.11 R ⊕ ) orbiting a G5V dwarf star (T eff = 5665 ± 55 K) on a nearly circular 24.3-day orbit (e = 0.16 ± 0.08). The orbital period of this planet is close to the estimated rotation period of its host star P rot = 22.5 ± 2.0 days and it has a low Keplerian semi-amplitude K = 6.4 ± 1.0 m s -1 ; we thus performed additional analyses to show the robustness of the retrieved planetary parameters. With a low bulk density of 1.03 ± 0.23 g cm -3 and orbiting a bright host star (J = 8.3, V = 9.6), TOI-1710 b is one of the best targets in this mass-radius range (near the Neptunian desert) for atmospheric characterization via transmission spectroscopy, a key measurement in constraining planet formation and evolutionary models of sub-Jovian planets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Production Operations Management System (POMS) for Fermilab Experiments

The Production Operations Management System (POMS) software allows production teams and analysis groups across multiple Fermilab experiments to launch, modify and monitor large scale campaigns of related Monte Carlo or data processing jobs, and currently manages the majority of production computing of experiments at Fermilab.POMS provides a web service interface that enables automated job submission on distributed resources according to customers’ requests, as well as subsequent monitoring of those submissions as well as recovery of failed submissions, debugging and record keeping.POMS interfaces with existing HEP data access, processing, movement and monitoring tools at Fermilab, including Jobsub (for job submission), SAM (for data management), and Landscape (for monitoring), and in combination with them handles the creation of intermediate datasets of files for multistage campaigns.POMS visualizes these campaigns with an interactive GUI interface. An important feature of POMS is a one-to-one connection between the GUI campaign visualizer and a text based representation of the complete campaign configuration. An extensible library of template campaign configurations is available. The templates are user modifiable and map cleanly to and from the GUI description of the campaign.This paper will discuss the current usage, history, and some technical details of POMS, as well as planned future extensions, particularly interfacing with Rucio as well as SAM for file movement.

Mengel, Marc↗

DOE OSTI2020

Weak structure functions in $\nu_l-N$ and $\nu_l-A$ scattering with nonperturbative and higher order perturbative QCD effects

We study the effect of various perturbative and nonperturbative QCD corrections on the free nucleon structure functions [FiNWI(x,Q2);i=1–3] and their implications in the determination of nuclear structure functions. The evaluation of the nucleon structure functions has been performed by using the MMHT 2014 parton distribution functions (PDFs) parametrization, and the target mass correction (TMC) and higher twist (HT) effects are incorporated following the works of Schienbein et al. and Dasgupta et al., respectively. These nucleon structure functions are taken as input in the determination of nuclear structure functions. The numerical calculations for the νl/ν¯l-A deep inelastic scattering (DIS) process have been performed by incorporating the nuclear medium effects like Fermi motion, binding energy, nucleon correlations, mesonic contributions, shadowing, and antishadowing in several nuclear targets such as carbon, polystyrene scintillator, iron, and lead, which are being used in MINERνA, and in argon nuclei, which is relevant for the ArgoNeuT and DUNE experiments. The differential scattering cross sections d2σAWIdxdy and (dσAWIdx/dσCHWIdx) have also been studied in the kinematic region of the MINERνA experiment. The theoretical results are compared with the recent experimental data of MINERνA and the earlier data of the NuTeV, CCFR, CDHSW, and CHORUS Collaborations. Moreover, a comparative analysis of the present results for the ratio (dσAWIdx/dσCHWIdx), and the results from the Monte Carlo (MC) generator GENIE and other phenomenological models of Bodek and Yang, and Cloet et al., has been performed in the context of the MINERνA experiment. The predictions have also been made for the ν¯l-A cross section relevant for the MINERνA experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Carbon Dioxide Removal Measurement, Reporting, and Verification Simulation toolkit (CDR MRVSim) v0.1

CDR MRVSim is a statistical software toolkit for techno-economic analysis of measurement, reporting, and verification of multiple carbon dioxide removal technologies. The current version applies Monte Carlo simulation to existing datasets estimate the cost and uncertainty of measuring the soil organic carbon (SOC) content of agricultural land, accounting for multiple sources of uncertainty, using data from field measurements. We are planning to incorporate enhanced rock weathering and other technologies into the software. The current model leverages existing data to characterize underlying variability in soil organic carbon and related parameters, including bulk density, in an agricultural field attempting to increase its SOC. We then simulate baseline and post-intervention "measurement campaigns" in which some number of SOC and bulk density measurements are conducted using a selected technology. This enables estimates of the cost and accuracy of measuring changes in SOC in the simulated field. The primary advantages over similar software are: 1) ability to quantify tradeoffs between cost and uncertainty in MRV across a range of possible MRV approaches 2) focus on guiding development of novel sensors by determining desirable sets of characteristics

Sherwin, Evan [Lawrence Berkeley National Laborato↗

DOE OSTI2022

Statistical uncertainty of fission matrix eigenvalues using perturbation theory

Eigenvalue search of high dominance ratio systems may be slow to converge. The fission matrix element is defined by its element (FM){sub ij}, which are the probability for a neutron born in cell i to create a fission in cell j for a spatial mesh of n{sub i}*n{sub j} elements. Fission matrices are used in Monte Carlo criticality simulations to enhance computing speed, but also to find higher order eigenvalues. However, few studies have been made on the link between statistical uncertainties of fission matrix elements and eigenvalues uncertainties. Thus, dominance ratio statistical uncertainties remain unknown. This paper uses a new generalized perturbation theory (GPT) method to estimate sensitivities of eigenvalues to fission matrix elements and then to calculate dominance ratio uncertainties.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Improving the laser performance of ion beam sputtered dielectric thin films through the suppression of nanoscale defects by employing a xenon sputtering gas

Laser damage-prone precursors in high index materials such as hafnia are believed to be the primary limiter in the performance of dielectric multilayer films to advance ultra-high power and energy laser applications. Removing or suppressing these precursors is the key to fabricating laser damage resistant thin films for the enabling technologies. Early work has revealed that nanobubbles formed by entrapped argon (Ar) working gas in ion beam sputtering (IBS) produced hafnia films are primarily responsible for the onset of laser damage upon exposure to UV, ns-laser pulses. In this study, we demonstrate that the UV ns-laser damage onset of IBS produced hafnia films can be improved to 3.1 +/- 0.2 J/cm 2 by substituting the conventional Ar working gas with xenon (Xe), a nearly 1 J/cm 2 increase from that of the Ar produced hafnia films. In addition to the suppression of the overall point-defect density of the hafnia films, the reduction of the Xe entrapment eliminates the nanobubbles and the generation of plasmas that initiates the laser damage. The defect suppression and its correlation to the increase in laser damage threshold is revealed by the combined analysis of Rutherford backscattering spectroscopy, electron paramagnetic resonance spectroscopy, transmission electron microscopy, and laser damage testing. Monte Carlo simulations suggest a much smaller entrapment of Xe gas by comparison to Ar, which is attributed to the significant difference in the energy of the reflected neutrals (3X) which are likely to be implanted. These results provide an effective process route with a fundamental understanding for producing high laser damage resistant dielectric films for high power and high energy laser applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Uncertainty Analysis for a Criticality Benchmark [Slides]

This presentation discusses how KRUSTY was analyzed with LANL’s MCNP neutron transport code, Monte Carlo N-Particle. In the Monte Carlo method, neutrons are born in fission events and fly around the geometry having events (e.g., scatter, capture, fission, escape) according to the natural probabilities. “Natural probabilities” are given as neutron cross sections , which are measured and evaluated nuclear data. One of the goals of the benchmark project is to improve the nuclear cross sections (and the codes that use them). In this work, the response of interest is called k eff , which describes the neutron multiplication in a near critical system. Like most quantities, k eff is not measured directly; it is only inferred. In summation, MCNP results for k eff matched the measurements extremely well. The evaluated uncertainties are asymmetric and smaller than 0.00100 (e.g., + 0.00080 / – 0.00062). The largest uncertainties are due to alignment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Uncertainty Analysis for a Criticality Benchmark [Slides]

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Design of a Cryogenic Scintillation Neutrino Detector at the Spallation Neutron Source

We successfully verified in the following three aspects the feasibility of using a cryogenic scintillating crystal-based neutrino detector at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, for the detection of low-mass dark matter particles and non-standard neutrino interactions (NSIs), as part of the detector R&D effort of the COHERENT experiment. First, we demonstrated the possibility of using silicon photomultipliers (SiPMs) at cryogenic temperatures to replace traditional photomultiplier tubes (PMTs) as light sensors. Second, we verified that the high light yield of undoped CsI crystals measured above 13 keVee at 77 K still holds down to 5.9 keVee. Third, we successfully measured nuclear quenching factor of undoped cryogenic CsI at the Triangle Universities Nuclear Laboratory with the help from our Duke collaborators. The first achievement resulted in a publication in European Physics Journal C. The second resulted in an arXiv pre-print, which is under journal review. The last one indicates that the performance of the proposed detector may be better than what was assumed in the literature. The analysis is in the final stage and will result in another journal publication. In addition, two graduate students involved in this project graduated with master’s degrees during the project period. Both decided to continue their research as PhD students. One open-source data analysis code package was created and is publicly available on GitHub. A set of tutorials about Monte Carlo simulation of radiation interacting with detectors were created on YouTube, receiving more than 100,000 views.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Implementation and testing of the GPT sensitivities in TRIPOLI-4

Computing the sensitivity of given reactor parameters with respect to nuclear data is mandatory in key applications such as the assessment of reactor safety or core design. In recent years, the development of Monte Carlo methods capable of estimating sensitivity coefficients based on the Standard or Generalized Perturbation Theory (SPT and GPT, respectively) has attracted intensive research efforts, especially in view of having reference golden standard simulations to be compared to faster but approximate deterministic calculations. Following our previous implementation and validation of the SPT functionalities in the Monte Carlo TRIPOLI-4, devoted to the sensitivity of the k eigenvalue, in this work we detail the development of GPT methods for ratios of reaction rates, and validate them against a few relevant benchmark results. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Numerical Analysis and Flow Induced Vibration Studies in Pressurized Helium Gas Cooling Channels

Los Alamos National Laboratory (LANL) is working with NorthStar Medical Radioisotopes (NMR) on their efforts to produce Mo-99 from the irradiation of Mo-100 targets. The NMR target consists of an Inconel window that allows the electron beam to penetrate and irradiate a stack of Mo-100 discs. The irradiation process generates large amounts of heat and is cooled using pressurized helium gas flowing at 400 g/s. LANL provides both numerical analysis support and experimental support. Computational fluid dynamics (CFD) simulations for both 300 g/s and 400 g/s are performed on the NMR target to analyze the helium flow through the NMR system. The pressure drop, the mass flow rate through each of the disc and window channels and the force applied on the first disc are some of the quantities estimated using CFD. These results will be combined with Monte Carlo N-Particle (MCNP) estimates of heat flux into the system from the electron beam to perform conjugate heat transfer analysis (CHT). The experiments presented in this report focus on the effect of the flow induced vibrations from helium flowing through the coolant gaps between the discs. There is concern that the flow induced vibrations may lead to excessive mass loss of the enriched Mo-100 discs, and the goal would be to mitigate the mass loss. This work presents benchtop tests of flow through a subset of the target stack which involves high speed imaging and displacement measurements used to estimate disc vibration, as well as mass loss.

42 ENGINEERING↗

DOE OSTI2026

Collision Tracking in OpenMC: Methods and Applications in Neutron Noise, Neutron Imaging, Time-of-Flight, and Multiplicity Counting

We present the development and application of a collision tracking feature within the OpenMC Monte Carlo particle transport code, designed for diverse applications such as neutron spectroscopy, scatter camera system, neutron noise, and multiplicity counting simulations. This feature enables the tracking of individual particle collisions, with potential applications in nuclear nonproliferation, reactor physics, and nuclear security. Additionally, the feature holds potential for the calibration of neutron detectors, specifically in converting light output into energy deposited within the detectors. The implementation consists of a set of filters—such as reaction type, energy, cell, and material—that constrain the set of collisions that are tracked, extensions to the Python API to enable simple input specification, and support for writing either OpenMC’s native HDF5-based format or the Monte Carlo particle list format. This feature was added to the official OpenMC release in version 0.15.3. In this work, the feature will be applied to showcase scenarios such as time-of-flight simulations, scatter-camera imaging for neutron source localization, neutron-noise analysis to extract integral kinetic parameters such as the prompt decay constant α, and multiplicity counting to estimate the mass of special nuclear materials. Ultimately, this feature aims to expand the application scope of open-source Monte Carlo particle transport codes such as OpenMC.

Monte Carlo code↗

DOE OSTI2022

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders [Slides]

The SCALE code package offers multiple nuclear data libraries supporting Monte Carlo transport, with sensitivity and uncertainty methods derived from MC transport solutions. Several libraries are multigroup, which introduce bias differing by system. Previous work has shown poor S/U results in several reflector materials: ICSBEP benchmark HMF-084 was selected to analyze biases and S/U method applicability to a variety of reflectors. Prior and ongoing work found inaccuracies in CSAS and TSUNAMI results, which were further investigated utilizing the HEU-MET-FAST-084 ICSBEP critical benchmark, chosen for its geometrical simplicity and variety of reflector materials. Perturbation of reflector thickness across various reflector materials allowed for an assortment of materials is to be tested swiftly for each sequence and method. Observation was an increasing bias of MG $k_{eff}$ relative to CE, in both direction and magnitude. IFP produced extremely reliable results. >85% of CLUTCH cases were found satisfactory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

An intermediate model for fitting triplet–triplet annihilation in phosphorescent organic light emitting diode materials

Triplet–triplet annihilation (TTA) is one of the primary contributors to efficiency roll-off and permanent material degradation in phosphorescent organic light-emitting diodes. Here, the two limiting case models typically used to quantify this quenching mechanism are multi-step Dexter and single-step Förster, which, respectively, assume ideal Fickian diffusion or perfect trapping of triplet excitons. For device-relevant guest doping levels (typically 5–12 vol. %), both significant diffusion of excitons and trapping due to spatial and energetic disorder exist, so neither conventional model fits experimental data well. We develop and validate an intermediate TTA model, which is a weighted average of the limiting cases of pure radiative decay (no TTA) and multi-step Dexter based TTA that returns an effective TTA rate constant and a parameter quantifying the portion of well-isolated excitons. Kinetic Monte-Carlo simulations and time-resolved photoluminescence measurements of an archetype host–guest system demonstrate that our intermediate model provides significantly improved fits with more realistic physical values, is more robust to variations in experimental conditions, and provides an analysis framework for the effects of trapping on TTA.

30 DIRECT ENERGY CONVERSION↗