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DOE OSTI2020

Data Integration Aggregated Model For Nuclear Deployment

The data of a nuclear utility or plant are stored in various isolated forms in different systems. These data have different structures and tools and are, therefore, used independently. The integration of data sources is often needed and is performed manually and on an as-needed basis. The integration of the data would enable creating a data warehouse for a single nuclear power plant (NPP) or multiple plants. A data model contains objects that make up a given domain along with their attributes and relationships and could be used as a standard for exchange between applications for simple integration and data aggregation. After a survey of existing models, it was determined that a new model was required to meet the scope of this problem. DIAMOND has been developed in the form of an ontology to meet these needs. An ontology is simply a data model that also acts as a taxonomy for the domain, organizing the objects in a hierarchy with the most general objects at the top.

Browning, JerenM↗

DOE OSTI2023

Solving the nuclear pairing model with neural network quantum states

In this work, we present a variational Monte Carlo method that solves the nuclear many-body problem in the occupation number formalism exploiting an artificial neural network representation of the groundstate wave function. A memory-efficient version of the stochastic reconfiguration algorithm is developed to train the network by minimizing the expectation value of the Hamiltonian. We benchmark this approach against widely used nuclear many-body methods by solving a model used to describe pairing in nuclei for different types of interaction and different values of the interaction strength. Despite its polynomial computational cost, our method outperforms coupled-cluster and provides energies that are in excellent agreement with the numerically-exact full configuration interaction values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Towards a numu CC exclusive cross section measurement with one proton and one muon in the final state at the NOvA near detector

NOvA is a long-baseline neutrino experiment at Fermilab that studies neutrino oscillations via electron neutrino appearance and muon neutrino disappearance. The NOvA Near Detector, located 1 km from the NuMI target, records a high rate of neutrino interactions in the energy range of 1-5 GeV. One of the limitations in precise extraction of oscillations is the large systematic uncertainty on neutrino-nucleus interactions. The high rate of neutrino interactions in the NOvA Near Detector provides the opportunity to probe various neutrino interaction processes and nuclear models, via the extraction of cross sections of particular final states. Nuclear models can be improved by measuring neutrino-nucleus cross sections with respect to kinematic variables which are known to be more sensitive to nuclear effects, such as transverse kinematic imbalance (TKI) variables. Usage of TKI variables allows for more direct constraints on models of neutrino scattering, as these variables can more directly investigate, for instance, effects of Fermi motion and final state interactions. In this work, we describe progress towards a method of identifying and reconstructing protons in the NOvA near detector to enable the cross section measurement of charged current neutrino interactions with a visible muon and a proton in the final state, reported in TKI variables.

Weber, Colin [Minnesota U.] (ORCID:000000031117067↗

NASA NTRS1993

HZEFRG1: An energy-dependent semiempirical nuclear fragmentation model

Methods for calculating cross sections for the breakup of high-energy heavy ions by the combined nuclear and coulomb fields of the interacting nuclei are presented. The nuclear breakup contributions are estimated with an abrasion-ablation model of heavy ion fragmentation that includes an energy-dependent, mean free path. The electromagnetic dissociation contributions arising from the interacting coulomb fields are estimated by using Weizsacker-Williams theory extended to include electric dipole and electric quadrupole contributions. The complete computer code that implements the model is included as an appendix. Extensive comparisons of cross section predictions with available experimental data are made.

Townsend, Lawrence W.↗

DOE OSTI2021

Economic Dispatch Model of Nuclear High-Temperature Reactor with Hydrogen Cogeneration in Electricity Market

Hydrogen produced without carbon emissions could be a useful fuel as nations look to decarbonize their electricity, transport, and industry sectors. Using the iodine–sulfur (IS) cycle coupled with a nuclear heat source is one method for producing hydrogen without the use of fossil fuels. An economic dispatch model was developed for a nuclear-driven IS system to determine hydrogen sale prices that would make such a system profitable. The system studied is the HTTR-GT/H2, a design for power and hydrogen cogeneration at the Japan Atomic Energy Agency’s High Temperature Engineering Test Reactor. This study focuses on the development of the economic model and the role that input data plays in the final calculated values. Using a historical price duration curve shows that the levelized cost of hydrogen (LCOH) or breakeven sale price of hydrogen would need to be 98.1 JPY/m3 or greater. Synthetic time histories were also used and found the LCOH to be 67.5 JPY/m3. The price duration input was found to have a significant effect on the LCOH. As such, great care should be used in these economic dispatch analyses to select reasonable input assumptions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Electron scattering and neutrino physics

Abstract A thorough understanding of neutrino–nucleus scattering physics is crucial for the successful execution of the entire US neutrino physics program. Neutrino–nucleus interaction constitutes one of the biggest systematic uncertainties in neutrino experiments—both at intermediate energies affecting long-baseline deep underground neutrino experiment, as well as at low energies affecting coherent scattering neutrino program—and could well be the difference between achieving or missing discovery level precision. To this end, electron–nucleus scattering experiments provide vital information to test, assess and validate different nuclear models and event generators intended to test, assess and validate different nuclear models and event generators intended to be used in neutrino experiments. Similarly, for the low-energy neutrino program revolving around the coherent elastic neutrino–nucleus scattering (CEvNS) physics at stopped pion sources, such as at ORNL, the main source of uncertainty in the evaluation of the CEvNS cross section is driven by the underlying nuclear structure, embedded in the weak form factor, of the target nucleus. To this end, parity-violating electron scattering (PVES) experiments, utilizing polarized electron beams, provide vital model-independent information in determining weak form factors. This information is vital in achieving a percent level precision needed to disentangle new physics signals from the standard model expected CEvNS rate. In this white paper, we highlight connections between electron- and neutrino–nucleus scattering physics at energies ranging from 10 s of MeV to a few GeV, review the status of ongoing and planned electron scattering experiments, identify gaps, and lay out a path forward that benefits the neutrino community. We also highlight the systemic challenges with respect to the divide between the nuclear and high-energy physics communities and funding that presents additional hurdles in mobilizing these connections to the benefit of neutrino programs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Probabilistic predictions and uncertainty estimation for radiological and nuclear effects modeling

Better characterization of meteorological uncertainty is needed to predict the effects of radiological and nuclear releases in the atmosphere. Multi-physics ensembles of atmospheric simulations can estimate uncertainty of physical processes, but they are often limited for computational reasons. Because weather uncertainty is important for emergency response applications, but the conventional way of running multi-physics ensembles is infeasible, we have developed new machine learning-based methods that quickly estimate and identify key sources of meteorological uncertainty. Machine learning accelerates the analysis of weather uncertainty by iteratively learning about model physics options that affect plume predictions. We have demonstrated the power of machine learning by creating a large multi-physics weather and dispersion ensemble dataset containing 1,200 simulations for two hypothetical radiological release scenarios. By training on less than 10% of the ensemble, we can quickly and accurately predict different outcomes, including the mass of radiological material deposited and spatial distribution and extent of contaminated areas.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

Overview of nuclear fragmentation models and needs

It has been known for some time that adequate assessment of spacecraft shield requirements and concomitant estimates of astronauts radiation exposures from galactic cosmic radiation requires accurate, quantitative methods for characterizing these radiation fields as they pass through thick absorbers. The main nuclear interaction processes involved are (1) nuclear elastic and inelastic collisions, and (2) nuclear breakup (fragmentation) and electromagnetic dissociation (EMD). Nuclear fragmentation and EMD are important because they alter the elemental and isotopic composition of the transported radiation fields. At present, there is no suitably accurate theory for predicting nuclear fragmentation cross sections for all collision pairs and energies of interest in space radiation protection. Typical cross-section differences between theory and experiment range from about 25 percent to a factor of two. The resulting errors in transported flux, for high linear energy transfer (LET) particles, are comparble to these cross-section errors. In this overview, theoretical models of heavy ion fragmentation currently used to generate input data bases for cosmic-ray transport and shielding codes are reviewed. Their shortcomings are discussed. Further actions needed to improve their accuracy and generality are presented.

Review↗

DOE OSTI2024

Availability of Critical Benchmark Experiments for the Pebble Tanker Transportation Model for Nuclear Criticality Safety Validation of TRISO Pebbles

This study addresses the need for comprehensive investigations into TRi-structural ISOtropic (TRISO) fuel pebble transportation validation. In this work, an exploratory model, the pebble tanker(PT), was developed with the aim of facilitating the validation of nuclear criticality safety calculations in the context of industrial-scale transportation of TRISO fuel. The PT model was designed to investigate the availability and applicability of critical benchmark experiments crucial for assessing the transportation of these pebbles. This work incorporated sensitivity/uncertainty (S/U) similarity studies to quantify the applicability of critical benchmark experiments and to address nuclear data uncertainties in the context of TRISO transportation. Two container models were investigated: one for the Hermes-type pebble and one for the Pebble Bed Modular Reactor (PBMR)–type pebble. The models were simplified, considering fuel, containment, and either water or air, to enable a focus on the underlying physics of applications involving TRISO fuel pebbles using the PT model. A crucial aspect under consideration was the capacity of the transport package to hold pebbles while ensuring subcriticality in the flooded state. An approach in the criticality validation process involves assessing the similarity between systems through an integral index parameter evaluation. This involves calculating a correlation coefficient (referred to as c k ) based on shared nuclear data–induced uncertainty between a benchmark experiment and the application of the PT model. To facilitate this analysis, the SCALE tools, particularly the CSAS6-Shift, TSUNAMI-3D-Shift, and TSUNAMI-IP sequences, were employed for comprehensive studies in neutronics and S/U analysis. Our findings showed that there are sufficient critical experimental benchmarks to perform this validation of the PT model in the most reactive state, i.e. when the tanker is flooded. This paper provides valuable insights into validating a transport package for Generation IV TRISO fuel pebbles.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1993

Computational modeling of nuclear thermal rockets

The topics are presented in viewgraph form and include the following: rocket engine transient simulation (ROCETS) system; ROCETS performance simulations composed of integrated component models; ROCETS system architecture significant features; ROCETS engineering nuclear thermal rocket (NTR) modules; ROCETS system easily adapts Fortran engineering modules; ROCETS NTR reactor module; ROCETS NTR turbomachinery module; detailed reactor analysis; predicted reactor power profiles; turbine bypass impact on system; and ROCETS NTR engine simulation summary.

Peery, Steven D.↗

NASA NTRS1979

Nuclear-Pumped Lasers

The state of the art in nuclear pumped lasers is reviewed. Nuclear pumped laser modeling, nuclear volume and foil excitation of laser plasmas, proton beam simulations, nuclear flashlamp excitation, and reactor laser systems studies are covered.

Source record↗

NASA NTRS1987

An algorithm for a semiempirical nuclear fragmentation model

In the present paper, an algorithm for HZE (High Charge and Energy) fragmentation based upon a combination of a two step abrasion/ablation model and electromagnetic dissociation is presented. Development of the model and detailed comparison with available experimental data are given elsewhere. The abrasion process accounts for the removal of nuclear matter in the overlap region of the colliding ions. An average transmission factor is used for the projectile and target nuclei at a given impact parameter to account for the finite mean free path in nuclear matter. The ions are treated otherwise on a geometric basis assuming uniform spheres. The ablation process is treated as a single nucleon-evaporation for every 10 MeV of excitation energy as used by Bowman in the original form of the model. The charge distribution of final fragments are calculated according to the Rudstam formula, except for some correction in mass 5, 8 and 9 fragments which show strong structure effects and correspondingly significant deviation from Rudstam's values. The nuclear electromagnetic dissociation is based on the Weizsacker-Williams (WW) method of virtual quanta where due to its simplicity, the virtual photon spectrum for individual multipoles, and finite extent of the charge distribution are not included. Comparisons of the model are made with the available experimental data here and more extensively elsewhere.

NASA Program Space Medicine↗

DOE OSTI2023

Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics

Accurate simulations of many chemical processes require the inclusion of both nuclear quantum effects and a solvent environment. The nuclear–electronic orbital (NEO) approach, which treats electrons and select nuclei quantum mechanically on the same level, combined with a polarizable continuum model (PCM) for the solvent environment, addresses this challenge in a computationally practical manner. In this work, the NEO-PCM approach is extended beyond the IEF-PCM (integral equation formalism PCM) and C-PCM (conductor PCM) approaches to the SS(V)PE (surface and simulation of volume polarization for electrostatics) and ddCOSMO (domain decomposed conductor-like screening model) approaches. IEF-PCM, SS(V)PE, C-PCM, and ddCOSMO all exhibit similar solvation energies as well as comparable nuclear polarization within the NEO framework. The calculations show that the nuclear density does not leak out of the molecular cavity because it is much more localized than the electronic density. Finally, the polarization of quantized protons is analyzed in both continuum solvent and explicit solvent environments described by the polarizable MB-pol model, illustrating the impact of specific hydrogen-bonding interactions captured only by explicit solvation. Furthermore, these calculations highlight the relationship among solvation formalism, nuclear polarization, and energetics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2007

Development of an Efficient CFD Model for Nuclear Thermal Thrust Chamber Assembly Design

The objective of this effort is to develop an efficient and accurate computational methodology to predict both detailed thermo-fluid environments and global characteristics of the internal ballistics for a hypothetical solid-core nuclear thermal thrust chamber assembly (NTTCA). Several numerical and multi-physics thermo-fluid models, such as real fluid, chemically reacting, turbulence, conjugate heat transfer, porosity, and power generation, were incorporated into an unstructured-grid, pressure-based computational fluid dynamics solver as the underlying computational methodology. The numerical simulations of detailed thermo-fluid environment of a single flow element provide a mechanism to estimate the thermal stress and possible occurrence of the mid-section corrosion of the solid core. In addition, the numerical results of the detailed simulation were employed to fine tune the porosity model mimic the pressure drop and thermal load of the coolant flow through a single flow element. The use of the tuned porosity model enables an efficient simulation of the entire NTTCA system, and evaluating its performance during the design cycle.

Cheng, Gary↗

DOE OSTI2023

Testing shell-model interactions at high excitation energy and low spin: Nuclear resonance fluorescence in Ge 74

With their complex low-spin structure, the germanium isotopes have accrued a large number of experimental data which challenge nuclear models. The structure of the 74 Ge isotope is investigated here with nuclear resonance fluorescence as part of an extensive campaign of experimental tests of the shell model in the germanium isotopic chain using a number of complementary techniques. Levels were excited with 3.10 – 5.44 MeV photon beams provided by the High Intensity Gamma-Ray Source at TUNL. Many new levels were identified and their spins, parities, branching ratios, and associated scattering cross section values were determined. Large-scale shell-model calculations, which include jj44b and JUN45 effective interactions developed to describe nuclei in this mass region, predict the new data satisfactorily. Herein this study extends the validation of these two interactions, which are candidates for computation of matrix elements to be used in the interpretation of neutrinoless double-β decay experiments in 76 Ge, into the low-spin, high excitation energy domain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Extracting model-independent nuclear level densities away from stability

The nuclear level density (NLD) is a fundamental measure of the complex structure of atomic nuclei at relatively high energies. Here, in this study, we present the first model-independent measurement of the absolute partial NLD for a short-lived nucleus. For this purpose we adapt the recently introduced “shape method” for β-decay experiments, providing the shape of the γ-ray strength function for exotic nuclei. In this work, we show that combining the shape method with the β-Oslo technique allows for the extraction of the NLD of the populated states without the need for theoretical input. This development opens the way for the extraction of experimental NLDs far from stability with major implications in astrophysical and other applications. We benchmark our approach using data for the stable 76 Ge nucleus, finding excellent agreement with previous experimental results. In addition, we present new experimental data and determine the absolute partial level density for the short-lived 88 Kr nucleus. Our results suggest a fivefold increase in the NLD for the case of 88 Kr, compared to the recommended values from semimicroscopic Hartree-Fock Bogoliubov calculations recommended by the RIPL3 nuclear data library. However, our results are in good agreement with other semimicroscopic level density models. We demonstrate the impact of our method on the 87 Kr(n, γ) neutron capture rate and show that our experimental uncertainties for NLDs fulfill the requirements needed for astrophysical calculations predicting r-process abundances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

MetaPoL: Immersive VR based Indoor Patterns of Life (PoL) and Anomalies Data Generation for Insider Threat Modeling in Nuclear Security

Insider threats are perhaps the most serious challenges that nuclear and radiological security systems face. Insiders pose such a great threat due to their access, authority, and knowledge, granting them opportunities to bypass dedicated nuclear and radiological security elements. For example, in one of the latest major insider threat incidents to nuclear security, the Doel-4 nuclear powerplant in Belgium suffered a shutdown, the threat of nuclear materials diversion, and long-term loss of tens of millions of dollars. Seven years of investigation concluded that it was an inside job and attempted sabotage. In this regard, there is an immediate need for R&D and technology integration in the domain of modeling indoor Patterns-of-Life (PoL) and anomaly detection. This can be achieved by using datasets of facility users’ mobility and activity, which can support the design of algorithms for insider threat modeling and detection. However, due to classification, privacy, sensitivity, and safety protocols, such datasets from real physical nuclear reactor facilities are not only hard to share, but also not always feasible to deploy and collect. Aiming to find an alternate solution, our proposed demonstration work - MetaPoL, is the first-ever (for the application space) immersive VR (virtual reality) environment of a real-world secure facility and allows users to move-and-stay through the designed indoor physical layout and also encounter NPCs (non-player characters) that emulate other facility users. In the MetaPoL an interactive user performs realistic spatio-temporal movement, dwelling and activities using a Meta Quest Pro VR headset, and that generates high-frequency (in time) high-resolution (in space) indoor spatial-temporal datasets that are valuable for PoL modeling and anomaly detection research specifically for insider threat modeling and detection mission. Such generated realistic, rich in context, and mission specific datasets can boost AI/Machine Learning based research for modeling and detecting insider threats in nuclear security and nonproliferation.

Gunaratne, Chathika↗

DOE OSTI2024

Pebble Tanker Model for Nuclear Criticality Safety Needs

This report documents a study performed to investigate the requirements for criticality safety benchmark experiments for high-assay, low-enriched uranium (HALEU) fuel in transportation applications. In this work, an exploratory application model, the “Pebble Tanker,” was developed to represent TRISO fuel in a transportation scenario for an analysis of the validation basis in industrial quantities. An aspect of the criticality validation process involves assessing the “similarity” between application and experimental benchmark systems through an integral index parameter evaluation. Here, this includes propagating nuclear data uncertainties and calculating a correlation coefficient (hereinafter referred to as “c k ”) to evaluate the similarity of benchmark experiments compared with the application Pebble Tanker model. Finding sufficient critical benchmark experiments allows for the evaluation of bias and bias uncertainty, thus determining the upper subcritical limit (USL) of the transportation package. A target k eff of ~0.94 was used in this work to establish appropriate modeling conditions, reflecting a reasonable estimate for a USL. Two container models were investigated: one with the Hermes-type pebble and one with the Pebble Bed Modular Reactor (PBMR)–type pebble. The models were simplified, considering only fuel, containment structure, and either water or air. This allows a focus on the underlying physics of applications involving TRISO fuel pebbles using the Pebble Tanker model. A crucial consideration is the transport package's ability to safely hold pebbles while flooded, maintaining subcritical conditions. Tools available in the SCALE 6.3.1 suite—the CSAS6-Shift, TSUNAMI-3D-Shift, and TSUNAMI-IP sequences—were employed for neutronics and sensitivity and uncertainty (S/U) analysis of the Pebble Tanker. Findings demonstrated sufficient available critical experiment benchmarks to perform a validation of the Pebble Tanker in the most reactive state, i.e., when the Tanker is flooded.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗