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DOE OSTI2024

Code Validation of SAM Using Forced and Natural Circulation Data from NACIE-UP Benchmark

Heavy liquid metals (HLMs) are promising candidates as coolants of Generation IV fast reactors due to their thermophysical properties. In the last decade, experimental work has been proposed as part of research and development efforts to develop such systems. In this context, researchers from the Brasimone Research Center have conducted many experiments using the Natural Circulation Experiment Upgrade (NACIE-UP) facility to study the thermofluid dynamic behavior of HLMs in rod bundle configurations with or without wire wrappers. This facility consists of a rectangular loop operated with lead-bismuth eutectic. Sensors across the loop monitor relevant parameters, i.e. temperatures, heat transfer, and flow conditions. Here, in the present work, we carefully select published data from NACIE-UP to validate the System Analysis Module (SAM), a modern system analysis code developed at Argonne National Laboratory. We developed one SAM model using specifications of the facility geometry and materials existing in relevant papers and reports. On top of that, these references provided the boundary conditions for simulating natural circulation and forced convection experiments in either steady or transient conditions. The SAM model simulates five test cases with diverse operating conditions. Ultimately, the code is proven to predict temperatures and mass flow rates that closely match the experiments. The discrepancies between numerical predictions and diverse transients are limited to a few degrees Celsius, showcasing that SAM is well suited for analyzing nuclear systems relying on HLM coolants.

advanced reactors↗

DOE OSTI2021

Transformational Challenge Reactor Safety Design and Radionuclide Retention Strategy

An integrated safety design and radionuclide (RN) retention strategy is developed to support the Transformational Challenge Reactor (TCR) demonstration. This demonstration aims to showcase viability for rapid deployment of a novel reactor by leveraging the advances in materials, manufacturing, and computational sciences through a highly integrated and agile design and development approach. This strategy provides a logical description and understanding of how RNs are contained within the facility. Rather than discussing fission product barriers individually between separate design and safety basis reports, this paper provides a consistent description and narrative to better facilitate regulatory interactions and focus safety design efforts. The principal barriers credited include the various coating layers in the tristructural isotropic (TRISO) fuel particle, the silicon carbide (SiC) matrix hosting the particles within the fuel element, the helium pressure boundary, and the confinement system. The choice and assumed performance of the credited barriers are highly conservative, which is a direct reflection of the low hazard that the TCR demonstration presents and the need to simplify and focus the safety review process accordingly. However, the strategy and the associated framework are generalized and may be adopted and tailored to support other advanced reactor demonstration efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Application of a Physics-Informed Convolutional Neural Network for Monitoring the Temperature Fields in High-Temperature Gas Reactors

Here, this work presents current advances in applying a physics-informed convolutional neural network (CNN) to evaluate temperature distributions in advanced reactors. Our goal is to demonstrate that the CNN can reconstruct temperature fields within the solid region of a prismatic fuel assembly in a high-temperature gas reactor (HTGR) with sensor data available in only a few cooling channels. Before that, we showcase the superior performance of the physics-informed CNN in comparison to a purely data-driven multilayer perceptron (MLP), considering a canonical heated channel setup. This analysis shows the advantages of our approach and justifies its choice. The datasets employed here are obtained upon numerical simulations performed with codes under the Nuclear Energy Advanced Modeling and Simulation program. This work is important, as industry experience indicates that the assembly material in HTGR concepts is prone to large thermal-mechanical loads nearing operational limits. This makes it crucial to characterize peak temperatures and their distributions near hot spots. Modern thermocouples are unreliable in these types of harsh environments because of the high neutron fluxes and elevated temperatures involved. The CNN-based field reconstruction represents an attractive solution, enabling sensor arrays in less aggressive locations and augmenting indirect predictions for less accessible regions. The results show that the CNN reduces prediction errors by orders of magnitude in comparison to the MLP, considering the simple yet well-representative heated channel case. In the case of the HTGR fuel assembly, the CNN can successfully reconstruct temperature fields over various cooling regimes. Furthermore, we also explore the algorithm’s ability to detect abnormalities. Interestingly, the CNN proves it has the capacity to detect blockage in one of the noninstrumented cooling channels.

Machine learning↗

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 OSTI2024

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Hybrid Parameter Search and Dynamic Model Selection for Mixed-Variable Bayesian Optimization

Herein this article presents a new type of hybrid model for Bayesian optimization (BO) adept at managing mixed variables, encompassing both quantitative (continuous and integer) and qualitative (categorical) types. Our proposed new hybrid models (named hybridM) merge the Monte Carlo Tree Search structure (MCTS) for categorical variables with Gaussian Processes (GP) for continuous ones. hybridM leverages the upper confidence bound tree search (UCTS) for MCTS strategy, showcasing the tree architecture’s integration into Bayesian optimization. Our innovations, including dynamic online kernel selection in the surrogate modeling phase and a unique UCTS search strategy, position our hybrid models as an advancement in mixed-variable surrogate models. Numerical experiments underscore the superiority of hybrid models, highlighting their potential in Bayesian optimization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Novel Capsule Fill Tube Assemblies for the Hydrodynamic Growth Radiography Targets

Capsule Fill Tube Assemblies (CFTAs) consist of an ablator capsule and fill tube via a laser drilled funnel hole. This hole then tapers from 17 μm diameter at the outer surface of the ablator capsule to less than 5 μm diameter on the inside of the capsule over approximately 200 μm of wall thickness. Demand for better understanding of the fill tube perturbation during the capsule implosion has driven advancements in the fill tube design. Engineering efforts have been made on Hydrodynamic Growth Radiography Assemblies (HGRs) using multiple tube design variations, including alternative angles, depths, sizes, and location with engineered defects to showcase fill tube effects during an implosion. Furthermore, testing has shown that these CFTAs and HGRs have survived all fabrication and transport to from General Atomics to Lawrence Livermore National Laboratory. These assemblies have also passed cryogenic testing at General Atomics. An overview of alternative CFTA designs, fabrication methods and developments will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Fully Additively Manufactured Wetted Foam Capsules for Inertial Confinement Fusion

In the pursuit of realizing reliable clean energy generation via inertial confinement fusion (ICF), wetted foam (WF) capsule targets have long been coveted due to their potential to simplify the target fielding process and suppress hydrodynamic instabilities and material mixing that limit achievable energy output, yet producing and deploying a WF target has proven challenging. Here, in this work, we demonstrate the design, fabrication, metrology, and testing of fully additively manufactured (AM) foam-lined capsules using two-photon polymerization (2PP) for ICF. We successfully fielded an AM polymeric foam capsule with a 3-mm outer diameter, a nominally 15-µm-thick solid outer layer, a 120-µm-thick inner foam layer, and a 250-µm outer diameter copper fill tube on the National Ignition Facility for a polar direct-drive shot, and we showcase deuterium wetting of the capsule foam layer inside an ignition target proofing station. Our exploration showed that 2PP can produce fieldable targets with complex geometries and potentially shorten the design iteration turnaround time and the overall target fabrication time.

Target↗

DOE OSTI2024

Engineering a tumor-selective prodrug T-cell engager bispecific antibody for safer immunotherapy

T-cell engaging (TCE) bispecific antibodies are potent drugs that trigger the immune system to eliminate cancer cells, but administration can be accompanied by toxic side effects that limit dosing. TCEs function by binding to cell surface receptors on T cells, frequently CD3, with one arm of the bispecific antibody while the other arm binds to cell surface antigens on cancer cells. On-target, off-tumor toxicity can arise when the target antigen is also present on healthy cells. The toxicity of TCEs may be ameliorated through the use of pro-drug forms of the TCE, which are not fully functional until recruited to the tumor microenvironment. This can be accomplished by masking the anti-CD3 arm of the TCE with an autoinhibitory motif that is released by tumor-enriched proteases. Here, we solve the crystal structure of the antigen-binding fragment of a novel anti-CD3 antibody, E10, in complex with its epitope from CD3 and use this information to engineer a masked form of the antibody that can activate by the tumor-enriched protease matrix metalloproteinase 2 (MMP-2). We demonstrate with binding experiments and in vitro T-cell activation and killing assays that our designed prodrug TCE is capable of tumor-selective T-cell activity that is dependent upon MMP-2. Furthermore, we demonstrate that a similar masking strategy can be used to create a pro-drug form of the frequently used anti-CD3 antibody SP34. This study showcases an approach to developing immune-modulating therapeutics that prioritizes safety and has the potential to advance cancer immunotherapy treatment strategies.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

A new framework for integrated climate finance and inclusive responses to sustainable development in Malaysia

With Malaysia's commitment to both mitigation and adaptation, the 21st Conference of Parties to the United Nations Framework Convention for Climate Change in Paris, 2015, will be both an opportunity to showcase best practices and a forum to promote international ownership of climate challenge before it becomes a catastrophe. Our experience with weather extremes is that the best time to intervene is at the risk level via prevention and preparedness, compared to any wait-and-see approach. As the Honourable Prime Minister of Malaysia, Dato' Sri Mohd Najib Abdul Razak, elaborated during the recent 11th Malaysia Plan presentation to the parliament, ‘such an approach has to be seen as part of adopting green growth and increasing our commitment to long-term sustainability’. Malaysia is also aware that this requires policy support, technological interventions and financial commitment. It is for this reason the Malaysia's pledge at the Copenhagen COP-15 was to reduce its carbon emission by 40% from 2005 levels by 2020, subject to technology transfer and financial support by developed countries. Having achieved a 33% reduction in the last five years, Malaysia is convinced that it can reach the 40% target following an inclusive partnership framework for action.

Climate Change↗

DOE OSTI2024

Open-source simulation platform for air source heat pump integrated with thermal energy storage

Here, this article introduces a modular simulation platform for assessing thermal energy storage (TES) integrated with air source heat pumps (ASHP). The Python platform is an open-source library that includes classes for modeling air-air and air-water heat pumps, TES devices, and the heating load of residential buildings. To validate the ASHP model, the study utilized experimental data obtained from a commercial heat pump evaluated at the National Renewable Energy Laboratory (NREL). The results indicate a mean deviation of 0.7% for COP across the operating range, with a maximum relative deviation of 12.6%. In terms of system heating capacity, the model had an average deviation of 4.3% compared to experimental results, with a maximum deviation of 8.2%. Three classes were implemented for modeling distinct types of TES devices: a generic TES based on energy balances, a sensible isothermal water tank, and a stratified water tank. Details of the mathematical models are provided, along with their respective strengths and limitations. An example is provided showcasing the integration of a residential 10 kWh thermal storage unit with an ASHP operating in Denver, CO. The comparison of two different discharge criteria for the TES unit highlights the importance of control strategies in the system performance.

25 ENERGY STORAGE↗

DOE OSTI2024

Anomaly detection in PV systems using constrained low-rank and sparse decomposition

PV (photovoltaic) systems, also known as solar panel systems, play an essential role in the mitigation of greenhouse gas emissions and the promotion of renewable energy. Through the conversion of sunlight into usable energy, electricity is generated without emitting greenhouse gases and producing pollutants. Notwithstanding the evolutionary significance of PV systems, the occurrence of defects and anomalies in PV systems may result in diminished power output, consequently impeding the efficiency of the systems and potentially resulting in hazards in certain circumstances. Therefore, early detection of faults and anomalies in PV systems is imperative to guarantee the reliability, efficiency, and safety of the systems. In this article, we develop a signal decomposition for the purpose of anomaly detection in PV systems. The proposed methodology is grounded on the concept of low-rank and sparse decomposition, with consideration given to the signs of the decomposed low-rank and sparse components, as well as the smooth variations within and between periods in the mean signals. Through the implementation of Monte Carlo simulations, we showcase the efficacy of our proposed methodology in identifying anomalies of varying durations and magnitudes in PV systems. A case study is employed to validate the proposed methodology in detecting anomalies in real PV systems.

14 SOLAR ENERGY↗

DOE OSTI2014

Herschel extreme lensing line observations: Dynamics of two strongly lensed star-forming galaxies near redshift z = 2

We report on two regularly rotating galaxies at redshift z ≈ 2, using high-resolution spectra of the bright [C II] 158 μm emission line from the HIFI instrument on the Herschel Space Observatory. Both SDSS090122.37+181432.3 ({sup S}0901{sup )} and SDSSJ120602.09+514229.5 ({sup t}he Clone{sup )} are strongly lensed and show the double-horned line profile that is typical of rotating gas disks. Using a parametric disk model to fit the emission line profiles, we find that S0901 has a rotation speed of vsin (i) ≈ 120 ± 7 km s{sup –1} and a gas velocity dispersion of σ {sub g} < 23 km s{sup –1} (1σ). The best-fitting model for the Clone is a rotationally supported disk having vsin (i) ≈ 79 ± 11 km s{sup –1} and σ {sub g} ≲ 4 km s{sup –1} (1σ). However, the Clone is also consistent with a family of dispersion-dominated models having σ {sub g} = 92 ± 20 km s{sup –1}. Our results showcase the potential of the [C II] line as a kinematic probe of high-redshift galaxy dynamics: [C II] is bright, accessible to heterodyne receivers with exquisite velocity resolution, and traces dense star-forming interstellar gas. Future [C II] line observations with ALMA would offer the further advantage of spatial resolution, allowing a clearer separation between rotation and velocity dispersion.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Elementary wideband timing of radio pulsars

We present an algorithm for the simultaneous measurement of a pulse time-of-arrival (TOA) and dispersion measure (DM) from folded wideband pulsar data. We extend the prescription from Taylor's 1992 work to accommodate a general two-dimensional template 'portrait', the alignment of which can be used to measure a pulse phase and DM. We show that there is a dedispersion reference frequency that removes the covariance between these two quantities and note that the recovered pulse profile scaling amplitudes can provide useful information. We experiment with pulse modeling by using a Gaussian-component scheme that allows for independent component evolution with frequency, a 'fiducial component', and the inclusion of scattering. We showcase the algorithm using our publicly available code on three years of wideband data from the bright millisecond pulsar J1824–2452A (M28A) from the Green Bank Telescope, and a suite of Monte Carlo analyses validates the algorithm. By using a simple model portrait of M28A, we obtain DM trends comparable to those measured by more standard methods, with improved TOA and DM precisions by factors of a few. Measurements from our algorithm will yield precisions at least as good as those from traditional techniques, but is prone to fewer systematic effects and is without ad hoc parameters. A broad application of this new method for dispersion measure tracking with modern large-bandwidth observing systems should improve the timing residuals for pulsar timing array experiments, such as the North American Nanohertz Observatory for Gravitational Waves.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

A measurement of the black hole mass in NGC 1097 using ALMA

We present an estimate of the mass of the supermassive black hole (SMBH) in the nearby type-1 Seyfert galaxy NGC 1097 using Atacamma Large Millimeter/submillimeter Array (ALMA) observations of dense gas kinematics. Dense molecular gas dynamics are traced with HCN(J=1−0) and HCO{sup +}(J=1−0) emission lines. Assuming a host galaxy inclination of 46{sup ∘}, we derive an SMBH mass, M{sub BH}=1.40{sub −0.32}{sup +0.27}×10{sup 8 }M{sub ⊙}, and an I-band mass to light ratio to be 5.14{sub −0.04}{sup +0.03}, using HCN(J=1−0). The estimated parameters are consistent between the two emission lines. The measured SMBH mass is in good agreement with the SMBH mass and bulge velocity dispersion relationship. Our result showcases ALMA’s potential for deriving accurate SMBH masses, especially for nearby late-type galaxies. Larger samples and accurate SMBH masses will further elucidate the relationship between the black hole (BH) and host galaxy properties and constrain the coevolutionary growth of galaxies and BHs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

The three-MM ultimate Mopra Milky Way Survey. I. Survey overview, Initial data releases, and first results

We describe a new mm-wave molecular-line mapping survey of the southern Galactic Plane and its first data releases. The Three-mm Ultimate Mopra Milky Way Survey (ThrUMMS) maps a 60° × 2° sector of our Galaxy’s fourth quadrant, using a combination of fast mapping techniques with the Mopra radio telescope, simultaneously in the J=1→0 lines of {sup 12}CO, {sup 13}CO, C{sup 18}O, and CN near 112 GHz at ∼arcminute and ∼0.3 km s{sup −1} resolution, with ∼2 K channel{sup −1} sensitivity for {sup 12}CO and ∼1 K channel{sup −1} for the other transitions. The calibrated data cubes from these observations are made available to the community after processing through our pipeline. Here, we describe the motivation for ThrUMMS, the development of new observing techniques for Mopra, and how these techniques were optimized to the objectives of the survey. We showcase some sample data products and describe the first science results on CO-isotopologue line ratios. These vary dramatically across the Galactic Plane, indicating a very wide range of optical depth and excitation conditions, from warm and translucent to cold and opaque. The population of cold clouds in particular have optical depths for {sup 12}CO easily exceeding 100. We derive a new, nonlinear conversion law from {sup 12}CO integrated intensity to column density, N{sub CO}∝I{sub CO}{sup 1.38}, which suggests that the molecular mass traced by CO in the Galactic disk may have been substantially underestimated. This further suggests that some global relationships in disk galaxies, such as star formation laws, may need to be recalibrated. The large ThrUMMS team is proceeding with several other science investigations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Dose-rate controlled energy dispersive x-ray spectroscopic mapping of the metallic components in a biohybrid nanosystem

In this work, we showcase that through precise control of the electron dose rate, state-of-the-art large solid angle energy dispersive X-ray spectroscopy (EDS) mapping in aberration-corrected scanning transmission electron microscope (STEM) is capable of faithful and unambiguous chemical characterization of the Pt and Pd distribution in a peptide-mediated nanosystem. This low-dose-rate recording scheme adds another dimension of flexibility to the design of elemental mapping experiments, and holds significant potential for extending its application to a wide variety of beam sensitive hybrid nanostructures.

composition mapping↗

DOE OSTI2015

Enhancing the interaction between nuclear experiment and theory through information and statistics

This Focus Issue draws from a range of topics within nuclear physics, from studies of individual nucleons to the heaviest of nuclei. The unifying theme, however, is to illustrate the extent to which uncertainty is a key quantity, and to showcase applications of the latest computational methodologies. It is our assertion that a paradigm shift is needed in nuclear physics to enhance the coupling between theory and experiment, and we hope that this collection of articles is a good start.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗