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At least 181 records · Page 10

Integration of Waveform Simulation Methods

The generation of synthetic seismograms through simulation is a fundamental tool of seismology required to run quantitative hypothesis tests. A variety of approaches have been developed throughout the seismological community and each has their own specific user interface based on their implementation. This causes a challenge to researchers who will need to learn new interfaces with each new software they wish to use and create substantial challenges when attempting to compare results from different tools. Here we provide a unified interface that facilitates interoperability amongst several simulation tools through a modern containerized Python package. Further, this package includes post-processing analysis modules designed to facilitate end-to-end analysis of synthetic seismograms. In this report we present the conceptual guidance and an example implementation of the new Waveform Simulation Framework.

58 GEOSCIENCES↗

Theory Manual for the Reaction Summary Module- SUMMAR

The post-processing module of DIF3D called SUMMAR was created to produce commonly used reactor engineering outputs. It is a optional output option for DIF3D and provides alternative summarizes of power, flux, and neutron balance over the user specified regions and areas. It can also provide isotope-wise microscopic and macroscopic reaction rates along with the effective one-group microscopic cross sections needed for solving the Bateman equations. This report serves as both the theory manual, user guide, and software verification of the SUMMAR module. The methodology and equations for all SUMMAR calculated parameters are presented here and discussed. Then the verification work, based upon simple DIF3D models, is presented to validate the derived equations. The SUMMAR inputs and outputs are detailed and examples are given to demonstrate it.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Granular Temperature Modeling with Large-Scale CFD-DEM Data

The granular temperature is a measure of solids-phase fluctuating kinetic energy in particle-laden gas-solid flows. This report focuses on reduced-order models of granular temperature in triply-periodic cluster induced turbulent flow. The granular temperature data was generated by post-processing large-scale CFD-DEM simulations that were carried out as part of an ALCC awarded study. The algebraic model of Tang et al, originally fit to DNS data, was found to be amenable to the present data. The results of several regression analyses are presented building on the original expression. This work was performed in part through the National Nuclear Security Administration (NNSA) Minority Serving Institutions Internship Program (MSIIP).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using Parameter Sweep in WaterTAP to Analyze New Water Treatment Technologies

We describe a powerful and generalized parameter sweep tool in this report that was originally developed to analyze the performance of existing and novel water treatment models being developed in WaterTAP. Since WaterTAP is built upon IDAES and Pyomo, the parameter sweep tool can be used to systematically explore and debug the behavior of most Pyomo and IDAES numerical models. In order to enable meaningful analyses, the parameter sweep tool has been designed with the following features: 1) Model flexibility: The parameter sweep tool does not enforce any restrictions on the types of models that can be used with it. As long as a Pyomo model can be solved and the parameter is active and mutable, the tool only needs functions that describe how to run the model, the sweep parameters, and the output quantities of interest. 2) Flexible sampling: The parameter sweep tool has inbuilt functions to generate samples from a random distribution or a multidimensional Euclidean space. Furthermore, the users have to ability to supply samples generated from a tool of their choice. 3) Multiple sweep types: A user can choose from one of 3 types of parameter sweeps depending on their needs. 4) Detailed outputs: Outputs generated by the parameter sweep tool can be stored in detailed H5 file or user-friendly CSV files for post processing. 5) Parallel computing: The parameter sweep supports shared and distributed memory parallel computing to enable the use of high performance computers (HPC) for large-scale analyses. 6) Modular: The parameter sweep tool is self-contained and can easily be integrated within an outer-loop analysis or as desired by the user. 7) Ease of use: The tool is well documented and a simple sweep can be easily executed by following the online documentation in a few lines of code. We demonstrate the use of the parameter sweep tool on a simple water treatment system from the WaterTAP repository and show its parallel scaling performance on an Apple laptop and NREL's Eagle HPC. The parameter sweep tool is actively being used with models currently being developed within WaterTAP and we expect its use to grow beyond it to other IDAES and Pyomo models.

97 MATHEMATICS AND COMPUTING↗

Leveraging Afterglow in Scintillation-based x-ray detectors for spacetime-resolved computed tomography for accelerated acquisition and high-speed event capture

Afterglow in x-ray imaging for high-speed radiography is a constraint that limits imaging systems to low-light/fast decay screens which create poor data. Current approaches focus purely on using low-light yield screens with fast decay to avoid multiple exposure pileup due to afterglow. The goal of this work is to develop a statistical estimation approach to leverage afterglow to improve image quality thus allowing for higher quality imaging components to be used. This will allow for bright screens will slow decay to be used, and then a post-processing step applies the statistical estimation to separate each frame with superior signal compared to low-light/fast decay screens.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reconstruction of the 4D beam matrix

The widely used transverse parameters characterizing particle beams are the Twiss parameters. These parameters can be measured experimentally but they do not fully characterize the beam since they do not account for possible correlations in particle distribution between two transverse coordinates. These correlations may occur due to uncompensated magnetic field at the cathode or misalignment of focusing quadrupoles in the transport beamline. We test a novel diagnostic for diagnosing full 4D beam matrix which may be used to identify such imperfections. The diagnostic is based on transporting the beam through the beamline which includes a quadrupole and a skew quadrupole magnets and measuring the resulting 2D beam distribution at the screen downstream. Such a measurement can be viewed as measuring a 2D projection of the 4D distribution. Different settings of the quads provide measurements of different slices of the phase space. The reconstruction of the original beam matrix from a number of measurements is done using machine learning algorithm, which provides a fast and reliable way of reconstruction for an arbitrary configuration of the scanning beamline. In August 2024, we set up the diagnostic beamline to perform a quadrupole scan of the beam. The setup includes a skew quadrupole, a regular quadrupole, and a screen. The images on the screen were post-processed to remove experimental artifacts and enhance contrast by eliminating background noise outside the core of the distribution=. The rms parameters of the distribution were then calculated and used as inputs for the reconstruction algorithm. This algorithm attempts to determine the initial beam matrix that produces expected images on the screen closely matching the observed images across all quadrupole settings. The algorithm found a solution in which the expected rms parameters closely align with the observations. Validation of the results is planned for FY25.

43 PARTICLE ACCELERATORS↗

Development and Evaluation of a Novel Fuel Injector Design Method using Hybrid-Additive Manufacturing (Final Report)

The widespread application of metal additive manufacturing (AM) technologies has enabled exploration of complex design spaces to achieve optimally performing components. Current optimization techniques make use of several advanced methods to provide designs that are superior to existing versions. However, they seldom discuss the manufacturability of the optimal designs. The objective of this project was to develop a design optimization tool that simultaneously optimizes fuel injector hardware and the combustor flow field with optimization functions and constraints that consider both combustor performance and manufacturability using advanced AM methods and post-processing. In this way, the resultant hardware design is inherently imbued with our most advanced knowledge of combustion physics and AM methods from its conception.

36 MATERIALS SCIENCE↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power desnities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Verification of the EvaluateFlux Utility Program

The EvaluateFlux program is a post-processing utility program for DIF3D, specifically DIF3D-VARIANT which handles Cartesian and hexagonal geometries. The EvaluateFlux program was developed to allow users to obtain flux and power traverses through the geometry domain, and its initial purpose was to facilitate foil analysis by evaluating the flux solution from DIF3D-VARIANT and combining it with foil cross section data. The EvaluateFlux program can calculate the neutron flux, as well as the reaction rates, at any user provided evaluation point. It does this by identifying the spatial mesh associated with the evaluation point and then evaluates the polynomial based neutron flux moments stored in the NHFLUX file at that point. The output of EvaluateFlux varies depending on the input setup. The maximum output includes the neutron flux and microscopic and macroscopic reaction rates at each evaluation point. The purpose of this work is to verify the outputs of EvaluateFlux. Simple models that have hand calculatable results are first defined and used to verify the EvaluateFlux outputs. More complex cases are then added where a duplicate program of EvaluateFlux that uses PrintTables outputs of the binary files is used to verify the EvaluateFlux outputs. In those complex cases, hand calculations of selected evaluation points were also displayed to confirm the software verification. For all the tests done, the hand calculations agreed well with those calculated by EvaluateFlux. For the larger complex problems, the duplicate program that can process hundreds of evaluation points was able to identify that zero points within some meshes have large errors. This aspect was attributed to the truncation error on the input provided to the duplicate program and is not a concern for the accuracy of the EvaluateFlux software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Feasibility of an Accelerometer-Based Structural Health Monitoring System for the LANL Blast Tube

A modeling- and simulation-based study was conducted on the feasibility of implementing an accelerometer-based SHM system on the Los Alamos National Laboratory blast tube. A blast tube experiment was modeled using the Abaqus explicit finite element solver. A custom user subroutine was written to apply test-like pressure loading to the inside surface of the blast tube. The subroutine applies analytically defined pressure loads derived from tracer output taken from a Compressible Flow Computational Fluid Dynamics Solver model of the blast tube. Five unique versions of the model were created: an undamaged reference model at 65°F was used as the baseline and compared to equivalent models at 10°F and 100°F. These three models were compared to models with small damage at the reference temperature. The two types of damage considered were a radial (circumferential) crack in the main tube body and a longitudinal crack in the supports. Acceleration outputs were extracted from accelerometer bodies included in the model and were post processed using a variety of standard SHM techniques. Different potential features signaling failure were extracted and compared using statistical methods in the time and frequency domains. A method was identified that clearly shows that differences in structural response resulting from the modeled damage can be differentiated from the structural response resulting from changing environmental conditions. However, the amount of damage applied to create observable differences in the accelerometer data was so large that simpler methods of damage detection would be more cost effective in locating damage.

42 ENGINEERING↗

Additive Manufacturing of Leak-Free Metal Components with Thin Walls and Sealing Surfaces

Laser-powder bed fusion (L-PBF) offers the ability to print free form design components which often do not require post-processing. However, challenges arise when printing small geometries with mating surfaces. Using an AddUp FormUp 350 L-PBF machine installed at the Manufacturing Demonstration Facility (MDF) of Oak Ridge National Laboratory (ORNL), a User Agreement project was formed with intent to manufacture metal leak-free cylindrical sealing surfaces. One print of twelve 12.7mm outer diameter (OD) cylinders was designed varying wall thickness in the computer-aided design (CAD) model. A build plate was successfully printed but included two build pauses each adding about five minutes per layer. The build plate of 12 cylinders was removed from the chamber and shipped to the partner.

36 MATERIALS SCIENCE↗

Maturing ceramic am and establishing a qualification framework at los alamos national laboratory

We successfully produced specimens made from porcelain resin (Tethon3D) in three different orientations (Z=45mm, Z=4mm and Z=3mm) without any cracks or delamination, both before and after post-processing. Four-point flexural tests were conducted on these specimens. Among the three orientations, specimens printed in the Z=4mm direction showed the best flexural strength, followed by Z=3mm and Z=45mm.

36 MATERIALS SCIENCE↗

Optimizing Geospatial Assessments for Nuclear Safeguards Applications with Large Language Models

A multidisciplinary team at Argonne National Laboratory evaluated the ability of large language models (LLMs) to identify geographic locations from open-source text and assessed post-processing measures to strengthen the reliability of those extractions in support of international nuclear safeguards. The study focused on addressing challenges such as toponym ambiguity, imprecise descriptions, and misinformation, which often undermine the accuracy of LLM-derived geospatial assessments. By integrating authoritative geospatial datasets, employing rigorous validation techniques, and leveraging human-in-the-loop processes, the project aimed to enhance the precision, transparency, and reproducibility of geospatial localization workflows. The findings demonstrate that while LLMs exhibit significant potential for accelerating geospatial analysis, their outputs require systematic grounding and verification to ensure reliability in high-stakes applications. This work contributes to the broader field of geospatial intelligence and supports strategic objectives of international organizations such as the International Atomic Energy Agency (IAEA) and the U.S. Department of Energy (DOE).

97 MATHEMATICS AND COMPUTING↗

The Measurement of Grain Size by Electron Beam Backscattered Diffraction

The method of electron back-scatter diffraction provides an analytic means to identify crystalline phase and the grain size of structural materials. The need to utilize imaging parameters consistent with revealing the contributing microstructural scale is often overlooked through packaged imaging scripts. It is shown that imaging parameters consistent with a post processing assessment of low misorientation angles between boundaries are achievable as using pixel sizes on the order of 10 1 nm.

36 MATERIALS SCIENCE↗

Synthesis Roadmap for Actinide Chloride Salts

Molten salt reactors (MSRs) are among the main advanced nuclear reactor types at the forefront of development by industry, with the support of the US government, for the next fleet of nuclear reactors to support the demand for energy in the coming decades. MSRs are highly unique because they are cooled and typically also fueled by molten salt. This quality brings about safety benefits such as low-pressure operation and self-stabilization of the neutron flux, operational benefits such as high-temperature operation and the ability for online refueling, and fuel and waste management benefits thanks to the flexibility of post-processing of molten salts and reprocessing options that involve removal of fission products and actinide separation. In fact, domestic deployment of molten salt (or molten salt–cooled) reactors is an approaching reality: a handful of molten salt reactor developers are planning to operate demonstration-scale reactors, as a step toward commercial-scale power reactors, within the decade. For example, Natura Resources received a construction permit in September 2024 for the deployment of MSR-1, which is a graphite-moderated thermal spectrum reactor, at Abilene Christian University. Also, TerraPower, in a collaborative effort with Southern Company and Idaho National Laboratory (INL), received approval from DOE in 2023 to proceed with the construction of the Molten Chloride Reactor Experiment (MCRE), a homogeneous chloride fast reactor at INL, and has begun assembly of system components. There are several other examples of developers at different stages of development of their own unique MSR designs (Jenet et al., 2025). As developers are in the process of obtaining approvals for their designs, deploying demonstration-scale reactors, and planning for their commercial-scale power reactors, there is a critical supply chain need for the synthesis of fuel for these reactors that must be addressed. The challenge generally is three-fold: (1) the quantity of fueled salt needed for these reactors is extraordinarily high (>100s of kilograms), but demonstrations of scaled-up techniques for fueled salt synthesis are significantly more limited than demonstrations of lab-scale syntheses; (2) each developer has a unique reactor design, which means different actinide halide elements in different carrier salts must be synthesized; and (3) there is a need for particularly high-purity salt so as to ensure the long-term operability of these reactors with minimal degradation to salt-wetted components, which necessitates synthesis techniques with high levels of quality control, repeatability, and well-characterized precursor and reactant materials. It is crucial that this supply chain challenge be addressed by demonstrating synthesis techniques that are scalable, de-risked, and well-documented so that these technologies may be adopted and utilized by industry to support the fueling needs of MSRs that are to come online within the next 10 years. With this supply chain challenge clearly defined for the developing MSR industry, it is important to consider that addressing such a challenge is oftentimes complex and context-dependent. There is not necessarily a single synthesis technique that can be scaled up and adopted to address the needs of all MSR developers; the synthesis approach that may be viable for producing a desired fuel salt will be entirely dependent on the exact salt composition needed, the quantity needed, purity needed, the refueling and waste plans, and the availability of a carrier salt for the fuel. Therefore, it is important to consider more broadly what synthesis techniques are available and have been demonstrated to understand the benefits, challenges, and general nuances that should be considered when evaluating a particular route for efficient production of high-purity fuel salts at scale.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Conjugate Heat Transfer Modeling of Salt-Filled Fuel Pins for Stable Salt Reactor Safety Analysis

The Stable Salt Reactor (SSR) combines the proven structural design of light water reactor fuel assemblies with the inherent safety and fuel-cycle advantages of molten salt technology. In its fast reactor configuration, the SSR utilizes recycled nuclear waste as fuel, sealed within narrow salt-filled fuel pins and cooled by a surrounding liquid salt coolant. Reliable transfer of heat from the molten fuel salt through the cladding to the external coolant is essential for both reactor safety and performance. This work investigates conjugate heat transfer (CHT) in the SSR’s salt-filled fuel pins using NekRS, a high-fidelity spectral element computational fluid dynamics (CFD) solver. The analyses capture internal natural convection within the molten fuel salt and external forced convection in the coolant, under steady-state and transient operating conditions. Parametric studies evaluate how variations in reactor power and coolant flow rate influence heat transfer distributions and system response. The high-fidelity CFD results are time-averaged and post-processed for direct comparison with moderate-fidelity Reynolds-averaged Navier–Stokes (RANS) models, and for the development of reduced-order models within the SAM system code. These validated models support fast-running safety analyses of normal and off-normal transients, improving predictive capability for key safety margins. By integrating advanced CFD with system-level safety tools, this study strengthens the modeling framework for SSR design, reduces uncertainty in molten salt CHT simulations, and accelerates the engineering and licensing of next-generation nuclear reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Conformal Hierarchical Simulation-Based Inference with Local Validity

Trustworthy and interpretable uncertainty quantification is a long-standing challenge in artificial intelligence. Simulation-based inference (SBI) comprises a broad swath of approaches for estimating latent parameters with uncertainties. Although flexible neural density estimators in SBI can be remark- ably expressive capturing highly structured, high-dimensional posteriors their credible regions can be badly mis-calibrated and are often only accompanied by heuristic coverage checks. We present the first SBI framework that delivers finite-sample local valid coverage guarantees that hold in the neighborhood of each observation. Our framework can couple any off-the-shelf hierarchical SBI engine with a confor- mal Bayesian post-processing step that operates on the posterior predictive density. A kernel-weighted conformity score adapts the conformal quantile to the local geometry of the data, yielding prediction sets that are simultaneously (i) marginally calibrated, (ii) locally valid, and (iii) hierarchical, handling global and observation-specific parameters in a single pass. Through experiments on synthetic data and benchmarks from neuroscience and physics, we show that our approach attains 1 − α coverage, where prior SBI methods under- or over-cover. Our approach also maintains a competitive, credible set size with minimal computational overhead. Finally, our approach can be used to make predictions on real data and give valid credible regions modulo weight-initialization-based model mis-specification.

Trivedi, Shubhendu [Fermilab]↗

DAISY: A Rapid Approach to Evaluating Marine Energy Converter Sound (Final Technical Report)

This project’s objective was to improve the quality of acoustic information about marine energy converters that could be collected from groups of drifting hydrophones, while reducing the costs of deployment and data analysis. This was achieved through technology development addressing four focus areas: (1) minimizing flow-noise and self-noise, (2) integrating metadata streams into a single data acquisition system, (3) developing post-processing routines to facilitate rapid data review, and (4) enabling objective identification of marine energy converter sound against a backdrop of ambient noise using time-delay-of-arrival localization.

16 TIDAL AND WAVE POWER↗