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DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

We generalize the spectral-function formalism to describe two-nucleon knockout processes in exclusive kinematics. Significant improvements are introduced both in the treatment of the current operators entering the $Δ$-current contribution and in the modeling of correlations between the two struck nucleons, including a consistent treatment of isospin dependence and the explicit incorporation of angular correlations. The framework is validated through comparisons with relativistic Fermi-gas calculations and with semi-exclusive electron-nucleus scattering data. Our results demonstrate that an accurate description of nuclear dynamics plays a crucial role in modeling this reaction mechanism. We further present a study of selected electroweak observables relevant to neutrino-scattering experiments.

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗

DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗

DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗

DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗

DOE OSTI2023

Demonstration of neutrinoless double beta decay searches in gaseous xenon with NEXT

The NEXT experiment aims at the sensitive search of the neutrinoless double beta decay in 136 Xe, using high-pressure gas electroluminescent time projection chambers. The NEXT-White detector is the first radiopure demonstrator of this technology, operated in the Laboratorio Subterráneo de Canfranc. Achieving an energy resolution of 1% FWHM at 2.6 MeV and further background rejection by means of the topology of the reconstructed tracks, NEXT-White has been exploited beyond its original goals in order to perform a neu- trinoless double beta decay search. The analysis considers the combination of 271.6 days of 136 Xe-enriched data and 208.9 days of 136Xe-depleted data. A detailed background modeling and measurement has been developed, ensuring the time stability of the radiogenic and cosmogenic contributions across both data samples. Limits to the neutrinoless mode are obtained in two alternative analyses: a background-model-dependent approach and a novel direct background-subtraction technique, offering results with small dependence on the background model assumptions. With a fiducial mass of only 3.50 ± 0.01 kg of 136 Xe-enriched xenon, 90% C.L. lower limits to the neutrinoless double beta decay are found in the $T^{0v}_{1/2} > 5.5 \times 10^{23} - 1.3 \times 10^{24}$ yr range, depending on the method. The presented techniques stand as a proof-of-concept for the searches to be implemented with larger NEXT detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

The Development of a Generalized Riser Flow Regime Map Based Upon Higher Moment and Chaotic Statistics Using Electrical Capacitance Volume Tomography (ECVT)

Dynamic analyses have been applied to the temporal signals from an Electro Capacitance Volume Tomography instrument located near mid-height on the riser of an industrial-scale cold-flow circulating fluidized bed to characterize gas-solids flow behavior in the riser. Twelve capacitance electrodes surround the cylindrical riser over a height of 1.3 m. The instrument used a neural network deconvolution algorithm to determine the spatially resolved solids fraction recorded at 52 Hz. Experiments were carried out over a range of gas and solids flows in the transport regime using a Geldart Group B bed material, high density polyethylene with mean particle size of 880 μm. The radial solids distribution was found to vary from one-time step to the next between profiles typical of laminar and turbulent flow. The duration of time spent in each of these flow profiles depended upon the operating regime – dilute, core-annular, or fast fluidized bed. The chaotic structure of the temporal data was characterized using the three conventional approaches: the first 4 moments from the distribution of signal in time, system memory parameters from the autocorrelation function and the Hurst exponent, and analysis of the correlationentropy and correlation dimension of the attractor. These signal analysis techniques were used to clearly distinguish differences between different transport operating regimes. Specifically, it was experimentally observed that a riser transitions from core annular flow profile to dilute and dense regimes via increasing the frequency of short term transients to either dilute or dense flow profiles, respectively. A regime map was generated based upon these dynamics using solids flux and gas velocity axes. Fast fluidized, core annular, and dilute each exhibited different degree of dynamic characteristics typical of fluid dominated or particle compromising behavior. It should be noted that the magnitude for the different statistics was in the same range regardless of the regime, it was the radial profile for the statistic that changed and subsequently identified that there was a change in the regime. Finally, a reduced regime map was developed consisting of plotting the gas velocity normalized by the upper transport velocity versus the solids flux normalized by the saturation carrying capacity. The use of this reduced plot allowed the data from widely different conditions to be plotted and compared on the same<p>graph. Note that in many instances, some of the statistics identified the operating point as being in one regime while others indicated that it was in another indicating a transition region between dilute or core annular regimes and between the core annular and fast fluidization regimes. This now provides a tool that can be used to optimize process performance, identify changes in operating states, or replicate process dynamics during process scaling or changing operating parameters. </p>

Breault, Ronald↗

DOE OSTI2020

Simulation of Continental Shallow Cumulus Populations Using an Observation-Constrained Cloud-System Resolving Model

Continental shallow cumulus (ShCu) clouds observed on 30 August 2016 during the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign are simulated by using an observation-constrained cloud-system resolving model. On this day, ShCu forms over Oklahoma and southern Kansas and some of these clouds transition to deeper, precipitating convection during the afternoon. We apply a four-dimensional ensemble-variational (4DEnVar) hybrid technique in the Community Gridpoint Statistical Interpolation (GSI) system to assimilate operational data sets and unique boundary layer measurements including a Raman lidar, radar wind profilers, radiosondes, and surface stations collected by the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) atmospheric observatory into the Weather Research and Forecasting (WRF) model to ascertain how improved environmental conditions can influence forecasts of ShCu populations and the transition to deeper convection. Independent observations from aircraft, satellite, as well as ARM's remote sensors are used to evaluate model performance in different aspects. Several model experiments are conducted to identify the impact of data assimilation (DA) on the prediction of clouds evolution. The analyses indicate that ShCu populations are more accurately reproduced after DA in terms of cloud initiation time and cloud base height, which can be attributed to an improved representation of the ambient meteorological conditions and the convective boundary layer. Extending the assimilation to 18 UTC (local noon) also improved the simulation of shallow-to-deep transitions of convective clouds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Fusion product measurements by nuclear diagnostics in the Joint European Torus deuterium–tritium 2 campaign (invited)

We report a new deuterium–tritium experimental, DTE2, campaign has been conducted at the Joint European Torus (JET) between August 2021 and late December 2021. Motivated by significant enhancements in the past decade at JET, such as the ITER-like wall and enhanced auxiliary heating power, the campaign achieved a new fusion energy world record and performed a broad range of fundamental experiments to inform ITER physics scenarios and operations. New capabilities in the area of fusion product measurements by nuclear diagnostics were available as a result of a decade long enhancement program. These have been tested for the first time in DTE2 and a concise overview is provided here. Confined alpha particle measurements by gamma-ray spectroscopy were successfully demonstrated, albeit with limitations at neutron rates higher than some 10 17 n/s. High resolution neutron spectroscopy measurements with the magnetic proton recoil instrument were complemented by novel data from a set of synthetic diamond detectors, which enabled studies of the supra-thermal contributions to the neutron emission. In the area of escaping fast ion diagnostics, a lost fast ion detector and a set of Faraday cups made it possible to determine information on the velocity space and poloidal distribution of the lost alpha particles for the first time. This extensive set of data provides unique information for fundamental physics studies and validation of the numerical models, which are key to inform the physics and scenarios of ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning

Here, we propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in multigrid (MG) methods, addressing the well-known issue of increasing operator complexity. Guided by the MG theory on spectrally equivalent coarse-grid operators, we have developed novel machine learning algorithms that utilize neural networks combined with smooth test vectors from multigrid eigenvalue problems. The proposed method demonstrates promise in reducing the complexity of coarse-grid operators while maintaining overall MG convergence for solving parametric partial differential equation problems. Numerical experiments on anisotropic rotated Laplacian and linear elasticity problems are provided to showcase the performance and comparison with existing methods for computing non-Galerkin coarse-grid operators.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Lossy checkpoint compression in full waveform inversion: a case study with ZFPv0.5.5 and the overthrust model

This paper proposes a new method that combines checkpointing methods with error-controlled lossy compression for large-scale high-performance full-waveform inversion (FWI), an inverse problem commonly used in geophysical exploration. This combination can significantly reduce data movement, allowing a reduction in run time as well as peak memory. In the exascale computing era, frequent data transfer (e.g., memory bandwidth, PCIe bandwidth for GPUs, or network) is the performance bottleneck rather than the peak FLOPS of the processing unit. Like many other adjoint-based optimization problems, FWI is costly in terms of the number of floating-point operations, large memory footprint during backpropagation, and data transfer overheads. Past work for adjoint methods has developed checkpointing methods that reduce the peak memory requirements during backpropagation at the cost of additional floating-point computations. Combining this traditional checkpointing with error-controlled lossy compression, we explore the three-way tradeoff between memory, precision, and time to solution. We investigate how approximation errors introduced by lossy compression of the forward solution impact the objective function gradient and final inverted solution. Empirical results from these numerical experiments indicate that high lossy-compression rates (compression factors ranging up to 100) have a relatively minor impact on convergence rates and the quality of the final solution.

58 GEOSCIENCES↗

DOE OSTI2022

Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts

Currently, a knowledge gap exists in the available data and understanding of thermophysical properties relating to fresh fuel salts, especially those containing plutonium. Determination of this data is necessary for the design and construction of test reactors, as well as the licensing of future commercial molten salt reactors. Thermophysical properties such as melting temperature, salt stability, density, and heat capacity were determined on synthesized eutectic NaCl-PuCl3 and a more sodium rich composition containing 25 mol% PuCl3. These measurements document the baseline properties of the salt as a function of temperature for future experiments on irradiated fuel salt which will provide a holistic perspective on the change of thermophysical properties during reactor operations. It was determined that the NaCl-PuCl3 ingot synthesized for this study contained 63.4 mol% NaCl, 36.3 mol% PuCl3, and was 99.7% pure. Upon heating it was shown that the NaCl- PuCl3 eutectic was stable at temperatures of 800°C. The onset of melting occurred at 541°C and the enthalpy of fusion was determined to be 140.7 ± 8.4 J/g. Specific heat capacity measurements showed a slightly decreasing trend with respect to temperature in the liquid phase ranging from 0.67 to 0.57 J/g·K, with an average value of 0.637 ± 0.03 J/g·K (104 ± 5 J/mol·K) between 500 to 720°C. Three independent trials of the molten NaCl-PuCl3 eutectic salt found the density to be ?(T) = 3.8589 – 9.5342·10-4 T(°C), validated between 500 to 800°C. In addition to salt synthesis and experimentally determining thermodynamic properties, Ab Initio molecular dynamic (AIMD) simulations were used to calculate density and heat capacity values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Application of an Empirical Density Law via Python for Aqueous Plutonium Chloride Systems in MCNP6

Current aqueous plutonium processing models for criticality safety often contain significant bias due to material modeling assumptions. These solutions include plutonium chloride solutions, which are modeled as fictitious plutonium metal-water mixtures because little is known about the actual density of the solution. Furthermore, there is no current predictive capability for modeling plutonium metal-water mixtures that is approved for use at Los Alamos National Laboratory (LANL). Recent density measurements for aqueous plutonium chloride systems (PuCl 3 -HCl-H 2 O) now allow for the development and application of a more realistic density law. This work develops a Python-based density law for this ternary solution using an empirical method. This code can be used in conjunction with an MCNP6 input to determine the density and composition of a solution based upon user inputs of plutonium concentration, hydrochloric acid concentration, and temperature. The tool allows users to input plutonium and acid content of a solution in terms of molality, molarity, or concentration, and predicts density within the current data range within 1.4% of experimental data. Current preliminary MCNP6 calculations utilizing this tool have demonstrated a minimum decrease in system reactivity of 5% in comparison to the current modeling conventions. Thus, this tool enables more accurate criticality safety operational limits by better crediting chorine content while still maintaining necessary conservatism.

Density Law↗

DOE OSTI2023

A Theoretical Open Architecture Framework and Technology Stack for Digital Twins in Energy Sector Applications

Digital twin is often viewed as a technology that can assist engineers and researchers make data-driven system and network-level decisions. Across the scientific literature, digital twins have been consistently theorized as a strong solution to facilitate proactive discovery of system failures, system and network efficiency improvement, system and network operation optimization, among others. With their strong affinity to the industrial metaverse concept, digital twins have the potential to offer high-value propositions that are unique to the energy sector stakeholders to realize the true potential of physical and digital convergence and pertinent sustainability goals. Although the technology has been known for a long time in theory, its practical real-world applications have been so far limited, nevertheless with tremendous growth projections. In the energy sector, there have been theoretical and lab-level experimental analysis of digital twins but few of those experiments resulted in real-world deployments. There may be many contributing factors to any friction associated with real-world scalable deployment in the energy sector such as cost, regulatory, and compliance requirements, and measurable and comparable methods to evaluate performance and return on investment. Those factors can be potentially addressed if the digital twin applications are built on the foundations of a scalable and interoperable framework that can drive a digital twin application across the project lifecycle: from ideation to theoretical deep dive to proof of concept to large-scale experiment to real-world deployment at scale. This paper is an attempt to define a digital twin open architecture framework that comprises a digital twin technology stack (D-Arc) coupled with information flow, sequence, and object diagrams. Those artifacts can be used by energy sector engineers and researchers to use any digital twin platform to drive research and engineering. This paper also provides critical details related to cybersecurity aspects, data management processes, and relevant energy sector use cases.

Gourisetti, Sri, Nikhil Gupta (ORCID:0000000188778↗

DOE OSTI2023

TRISO fuel performance analysis: Uncertainty quantification toward optimization

Tri-structural isotropic (TRISO) fuel particles are a fuel form being considered for potential use in next-generation nuclear reactors (i.e., high-temperature gas-cooled reactors). Though the TRISO fuel manufacturing process has continually advanced in recent years, particle comparisons still reveal statistical variations and uncertainties in terms of geometric configurations and material properties. Given that the physical processes ongoing in TRISO fuel particles during reactor operation are highly correlated with each other, a small degree of uncertainty in one model may lead to significant uncertainty in another. This makes appropriate uncertainty quantification of TRISO fuel particles essential. However, one may wonder about the extent to which the current version of TRISO particles has been optimized, and whether any room remains for further improvements. This paper quantifies TRISO fuel performance model uncertainties that stem from geometric and material data. For this analysis, the BISON code was used, and the Advanced Gas Reactor (AGR)-2 experiment served as a reference case. A total of 10 5 calculations was performed for the uncertainty and optimization analysis, altering the geometric and material data within their uncertainty range. Lastly, the optimization potential of TRISO particles is evaluated from a fuel performance perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Multiphase Species Transport Modeling for Molten Salt Reactors in the System Analysis Module: Generation, Decay, Deposition, and Extraction of Insoluble Fission Products

With the increase of interests in the design and deployment of advanced reactor systems, a desire for simulation tools supporting system analysis of reactor operation and safety is rising. Molten salt reactors (MSRs), one of the advanced reactor systems, utilize liquid fused salt fuel as both coolant and fuel. During operation, MSR generates insoluble fission products, including noble metals and gases. The buildup of these species in fuel salt presents safety concerns as they may deposit on surfaces of critical components and produce excessive decay heat, causing the failure of system components. Timely removal of these noble metals and gases would ensure the safe operation of the reactor system. The dynamic nature of salt fuel system, involving the generation, decay, deposition, and extraction of noble metals and gases, calls for robust species transport models to facilitate system analysis and monitoring, and design of efficient species removal components. This paper concentrates on the development of a computational framework for species transport, consisting of multiphase transport model formulation, mass transfer between phases, numerical implementation in MOOSE environment, verification through Method of Manufacture Solutions (MMS) and validation against experimental data from the Molten Salt Reactor Experiment (MSRE). Integrating this framework into the System Analysis Module (SAM) code further enhances SAM’s capabilities for advanced reactor analysis in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Modeling Radionuclide Inventories in MSR Off-Gas Systems with Radiochemical Transport Analysis

Molten salt reactors (MSR) contain unique characteristics that may require enhancements to modeling tools to accurately predict phenomena. One characteristic that may be advantageous to leverage during normal operation is on-line processing of the circulating fuel salt, such as an off-gas system (OGS) to remove volatile fission products. Therefore, new modeling tools must be developed to integrate spatial resolution and chemistry effects into fuel depletion tools to be able to account for these non-core sources of radioactivity. Such types of radiochemical transport analysis tools were used to estimate the removal rates for 12 elements within a flow model of the Molten Salt Reactor Experiment (MSRE) by optimizing against legacy experimental data of the gas-borne (GB) percentages of 12 nuclides. The removal rates were used in a depletion model to calculate the FP inventory that enters the MSRE OGS. Calculations are in good agreement with the empirical GB percentages reported for the 12 nuclides, which validates the approach and verifies each tool’s treatment of the radiochemical flow effects. The OGS inventory is discussed in terms of the largest nuclide contributors to activity, dose consequence, decay heat, and elemental composition. Finally, insights from the study allow recommendations to be made for future code development activities.

Shahbazi, Shayan↗

DOE OSTI2021

Modeling Study of Reduced Tubing Size Effects on Flow in Depleted Reservoir Natural Gas Storage Wells

This report explores the effects of tubing size reductions on natural gas flow from representative depleted reservoir underground storage wells and fields using basic models for coupled reservoir and pipe flow. This work was motivated by interest at the U.S. Department of Transportation, Pipeline and Hazardous Materials Safety Administration, in evaluating the effects of tubing and packer as a potential safety upgrade to implement double-barrier systems to existing underground natural gas storage wells. Reservoir and well flow models were developed from widely accepted industry equations, verified against a commercial process simulator model, and validated against field data. The study utilized U.S. operator survey data to provide context and assure that modeling parameters including aver age deliverability rates for wells and fields, operating pressures, well depths, and storage capacities were all carefully considered to keep the modeling relevant to the known range of U.S. operations. The models generally found that wells and fields with inherently low deliverability were relatively insensitive to reductions in tubing diameter, primarily because the hydraulics in those cases were controlled by reservoir properties. For the high-producing wells and fields, the models found that reducing tubing diameter could produce significant reductions in deliverability, both at the field- and well-level. When put into context with occurrence data regarding average deliverability of fields and wells, it appears that most wells and most fields across the U.S. would experience deliverability reductions on the low end of what was simulated here, generally below 20%. For fields with moderate to high deliverability, reductions were generally larger, and could reach as high as 60% for the highest-producing wells and fields.

03 NATURAL GAS↗

DOE OSTI2021

IER-539 CED-1: Preliminary Design of a New Horizontal Split Table

This report presents the preliminary design (CED-1) of IER-539, focused on a new Horizontal Split Table (HST) critical assembly machine. The Department of Energy (DOE) National Nuclear Criticality Safety Program (NCSP) funds critical experiment R&D and its Mission and Vision document identifies a long-standing technical gap of a general purpose HST. HSTs have historically been used for experiments that are impractical to assemble on a vertical lift machine (VLM), usually due to their large physical size or weight. While many HSTs were historically employed in the US (including at LLNL), there are currently no surviving HSTs in the US. While there are two critical experiments facilities remaining in the US, the National Critical Experiments Research Center (NCERC) operated by LANL and the Critical Experiments Facility (CX) operated by SNL, these facilities are not equipped with a general purpose HST. There are a number of experiment designs that require an HST, including needs for Defense Programs and Nuclear Energy. Lack of an HST constraints the national ability to perform large and heavy experiments. Large footprints are needed to successfully create mockup experiments for advanced reactors (mock-up cold critical reactor cores, which is a urgent need for new reactor designs using novel materials and longer cycle lengths), to create solution experiments in lattices, or to test nuclear data of heavy metals. A new HST is a vital piece of criticality experiment infrastructure that would allow for the conduct of integral critical experiments to address needs in the nuclear criticality safety, nuclear data, and other DOE stakeholder communities.

42 ENGINEERING↗