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DOE OSTI2023

Godiva IV Shielding Benchmark Overview [Slides]

This presentation shows that Integral experiments increase the level of realism from that of data measurements. Further, Godiva IV is capable of intensities to activate foils. IER 498 uses a relative measurement to provide an intermediate level of realism. With reproducibility and room return management are key components. The test matrix put forward in CED-2 enables numerous cross-comparisons. IER 498 facilitates various additional works using a room return shield to isolate the source. IER 557 demonstrated burst reproducibility sufficient for IER 498.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Density dependence of the symmetry energy in the post–PREX-CREX era

The recently published CREX results suggest a rather peculiar picture for the density dependence of the symmetry energy. Whereas PREX favors a large neutron skin thickness in 208 Pb, thereby suggesting a stiff equation of state, CREX suggests instead a much softer equation of state. This discrepancy has caused a large spur in the theoretical community, since no model has been able to simultaneously reproduce within 1σ the PREX and CREX results. Motivated by a novel correlation between a CREX observable and a combination of bulk symmetry energy parameters, we calibrate three new covariant energy density functionals that reproduce binding energies and charge radii of spherical nuclei—and also accommodate the constraints imposed by PREX and CREX. Given that these models suggest a stiff equation of state at high densities, predictions for neutron star properties are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Enabling in-situ LIBS measurements of liquids and slurries

The aim of this work was to explore the use of, and further develop, a in-situ and near-real time LIBS (Laser Induced Breakdown Spectroscopy) instrument to measure liquids relevant to the Hanford site. Specifically, we investigated the feasibility of using LIBS to measure the cation composition of HLW (High Level Waste) streams. In addition, we focused on enabling continuous interrogation of those liquids using the LIBS system. For the first part, we investigated simple (sodium nitrate) solutions as well as various Hanford tank waste surrogate slurries. We showed that relevant cations (such as sodium, aluminum, magnesium, potassium) can be measured via LIBS under good conditions but the results – both quantitative and qualitative (aka reproducibility) – strongly depend on the kind and concentration of the material used. The dependence of signal intensity on concentration was also confirmed by other measurements conducted (sodium chloride and sodium nitrate in water). For the second part, we investigated the influence of varying depth and concentration of a liquid sample. We observed that for the concentrations and fill depths investigated, the liquid fill depth did not impact the emission intensity of the analyte, while concentration is confirmed to have significant effects. The results of the sample depth experiments influenced testing of waste surrogates. In addition, we focused on further developing and adapting data fitting tools in order to efficiently, accurately, and reproducibly identify the elements and materials present in a LIBS spectrum.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Improved melt model for power flow

Accelerators that drive z-pinch experiments transport current densities in excess of 1 MA/cm 2 in order to melt or ionize the target and implode it on axis. These high current densities stress the transmission lines upstream from the target, where rapid electrode heating causes plasma formation, melt, and possibly vaporization. These plasmas negatively impact accelerator efficiency by diverting some portion of the current away from the target, referred to as “current loss”. Simulations that are able to reproduce this behavior may be applied to improving the efficiency of existing accelerators and to designing systems operating at ever higher current densities. The relativistic particle-in-cell code CHICAGO ® is the primary code for modeling power flow on Sandia National Laboratories’ Z accelerator. We report here on new algorithms that incorporate vaporization and melt into the standard power-flow simulation framework. Taking a hybrid approach, the CHICAGO® kinetic/multi-fluid treatment has been expanded to include vaporization while the quasi-neutral equation-of-motion has been updated for melt at high current-densities. For vaporization, a new one-dimensional substrate model provides a more accurate calculation of electrode thermal, mass, and magnetic field diffusion as well as a means of emitting absorbed contaminants and vaporized metal ions. A quasi-fluid model has been implemented expressly to mimic the motion of imploding liners for accurate inductance histories. For melt, a multi-ion Hall-MHD option has been implemented and benchmarked against Alegra MHD. This new model is described with sufficient detail to reproduce these algorithms in any hybrid kinetic code. Physics results from the new code are also presented. A CHICAGO ® Hall-MHD simulation of a radial transmission line demonstrates that Hall physics, not included in Alegra, has no significant impact on the diffusion of electrode material. When surface contaminant desorption is mocked in as a hydrogen surface plasma, both the surface and bulk-material plasmas largely compress under the influence of the j × B force. Similar results are seen in Alegra, which also shows magnetic and material diffusion scaling with peak current. Test vaporization simulations using MagLIF and a power-flow experimental geometry show Fe + ions diffuse only a few hundred µm from the electrodes, so present models of Z power flow remain valid.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

An R Shiny graphical user interface for analyzing, visualizing, and interpreting high precision mass spectrometric data

There is currently a lack of software that meets the needs for the analysis of raw data produced by modern isotope ratio mass spectrometers for both R&D and routine use at SRNL and other US national labs • Needs to accommodate multiple isotope systems, instruments, and manufacturers • Include modern statistical methods and handling/visualization of uncertainty • Flexible software with transparent (no “black box”) and reproducible methods • This project is inspired by existing discipline-specific data analysis software (e.g., Tripoli1 , ET_Redux2 , IsoplotR3) used in the geochemical community • Our goal is to build an open source data analysis software package that focuses on flexibility, transparency, and reproducibility

Labone, Elizabeth↗

DOE OSTI2024

Closing the Loop Between In Situ Stress Complexity and EGS Fracture Complexity (Quarterly Research Performance Progress Report: Q3Y3)

As part of Task 1, we have started by testing our modeling capabilities by reproducing isothermal DFIT simulations presented in the literature. To start, we have been working towards adjusting numerical parameters to reproduce DFIT tests with different fracture geometries. Then, we have focused modeling the DFIT conducted at well 58-32 (cycle 4 in zone 2). Specifically, we have carefully analyzed the influence of the aperture-contact stress relationship and investigated how two different laws affect model results. We have also introduced thermal effects in the model and rerun the simulations to estimate the effect of cooling on the DFIT response. Due to the small amount of fluid injected during a DFIT, thermal effects seem to be moderate.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Verification of RESRAD-OFFSITE Code (V.4)

This report documents the verification of RESRAD-OFFSITE Version 4.0 and describes, where necessary, the verification of the following: • The data comprising the standard dose and risk coefficient libraries in the RESRAD database files Master_dcf_ICRP07.mdb and Master_dcf_2k.mdb. • The extraction and transfer of the data from the selected database file to the computational code by the RESRAD-OFFSITE 4.0 interface, ResOWin.exe. • The different processes that are modeled by the main computational code in RESRAD OFFSITE 4.0, ResOMain.exe. • The data displayed in the graphical and text reports. Many verifications were performed as part of the quality assurance quality control program associated with the development and release of RESRAD-OFFSITE 4.0, namely: • developer testing, • internal independent testing, and • release testing. Some were also performed in response to questions from users regarding the performance of the code. The main text of the report focuses on summarizing a subset of those tests, both independent and developer tests that verified the computations performed by the code. The verifications included in this report served as the basis for the development of the release tests of the computational executables and provided the quantitative results to be compared with the code output. The input and output interfaces and the data transfers between the various executables of the code were tested while performing the verification testing. They were tested intentionally during release testing. This report also provides some basic information to help in understanding the activities that were verified. The report: • outlines the components of RESRAD-OFFSITE 4.0 and the interconnections between these components, • outlines the processes modeled by the computational code, • provides summary figures and tables to offer confirmation of the verification of the computational components of the code, • reproduces the verifiers’ reports, if available, in individual appendices, • refers to the previous verification report (Yu et al. 2011) for more details about some of the verifications, and • reproduces the test cases and the testers’ reports from the release testing in individual appendices, when possible.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Coal to Carbon Fiber (C2CF) Continuous Processing for High Value Composites (Final Report)

Coal tar is a condensed and recovered by-product of the coking of metallurgical coal for steel production. The heaviest fraction of distilled coal tar is an isotropic pitch largely used as a binder in the manufacturing of carbonaceous electrodes for primary aluminum smelting and in electric arc furnaces. Coal tar pitch offers high carbon yield upon carbonization. In this project, a process to convert the domestically sourced isotropic coal tar pitch, containing very low particulates (QI = 0.32 wt.%), to form flow-domain mesophase pitch amenable for melt spinning into precursor (green) fibers for carbon fiber, was developed and optimized. The final reproducible processing developed is reviewed in this report, along with several characterizations of the mesophase pitch. A final definition of the characteristics of a ‘spinnable’ mesophase pitch is presented. With this mesophase pitch, reproducible and stable multifilament melt spinning was developed, producing green fiber tows with filament diameters of approximately 20 m. The multifilament melt spinning was the most challenging aspect of the project and required the most effort. The best practices learned from this project for melt spinning are reviewed in this report. Once spun, the green fibers were oxidatively stabilized, carbonized and graphitized under inert gas atmosphere to form the final carbon fibers. Given the relatively high softening point of the mesophase pitch, no issues of interfilament fusion were observed during batch oxidation, and subsequent batch carbonization and graphitization went smoothly in all cases. An ~ 80 wt.% conversion of the green fiber mass to final carbon fiber was achieved. After graphitization, the carbon fibers showed high tensile moduli (most were ~ 600 GPa, or 87 Msi) consistent with commercially-available high-performance pitch-based carbon fiber. However, tensile strength and strain to failure were comparatively low. Further work to reduce defects in and on the fiber surfaces would increase these properties. SEM imaging of the graphitic fiber textures is presented herein. Rudimentary composites were fabricated from the carbon fibers and characterized showing similar modulus to baseline composites fabricated with commercial carbon fiber. Finally, a basic economic analysis was done showing the potential to increase the value of the isotropic coal tar pitch by up to 13.6 to 136 times based on a carbon fiber value of $\$$5/lb to $\$$50/lb, respectively. Moreover, the site case study suggests that the coal tar from the single integrated steel mill could supply production of up to 16 kt/yr of carbon fiber. Finally, a technological gap analysis was done which shed light on remaining technical challenges. These challenges included: recovery and utilization of condensates from the mesophase pitch processing, further advancing and increasing stability of the multifilament melt spinning processing, optimization of the oxidation processing, defect reduction for increased carbon fiber strength, and the development of a weaving process towards carbon fiber fabrics. To maximize the coal value chain, the primary objectives of this project were to (a) develop and scale efficient processing technology for producing melt-spinnable mesophase pitch from isotropic coal tar pitch, (b) clarify and simplify tedious continuous fiber processing technologies (particularly multifilament melt spinning of mesophase pitch) towards the efficient production of high performance carbon fiber, and (c) demonstrate and characterize representative composite parts derived from the final carbon fiber. Immense progress was made on all 3 objectives and is detailed in this report.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2025

IROS 2023 Workshop Report: Draft Guidelines on Manufacturing Procedures, Test Methods and Reporting for Soft Robotics

Soft roboticists are facing challenges with reproducibility, which prevents researchers from making holistic comparisons to prior work, impedes full understanding of results, and forces the need to “reinvent the wheel,” delaying fundamental advances. Reproducibility of results is key to advancing science as well as achieving technology transfer from research laboratories to industrial applications. Recently, a discussion-based workshop dedicated to the topic, “Developing Standard Testing and Reporting Guidelines for Soft Robotics,” was held at IROS 2023 in Detroit, MI. The purpose of this document is to record a set of recommendations and voluntary draft guidelines for soft roboticists concerning fabrication/manufacturing, test procedures, and reporting, which were collectively developed at the workshop. Together as a community, we hope to improve the reporting standards of soft robotics and drive the field as a whole toward more rigorous research practices.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Salt Tank Testbed: a Test Site Designed to Replicate Floor Buckles Observed in Commercial TES Tanks

A test site has been designed and is under construction to replicate the buckling failure ob-served in several in-service storage tanks for nitrate salts operating up to 565°C. In commercial tanks multiple factors have been identified that influence the floors susceptibility to buck-ling, including: the as-manufactured shape of the floor, high compressive stresses due to thermal gradients and/or friction, fluid inventory and absolute temperature. Based on exten-sive modeling analysis it was determined that similar buckles can be reproduced in a scaled test tank (approximately 9x smaller than a representative commercial tank design). To buckle the scaled tank a radial thermal gradient is generated in the tank with a low fluid level, the fluid level is then increased while maintaining the thermal gradient; based on the modeling results just one of these cycles can plastically deform the tank floor. The test site which is under construction is designed to replicate this damaging cycle at lower temperatures. The goal of testing will be to reproduce this damaging cycle and buckle the scaled test tank floor, allowing proper model validation and a methodology for comparing different tank designs at a smaller (and less costly) scale.

25 ENERGY STORAGE↗

DOE OSTI2025

Verification of the PERSENT Software

Ongoing commercial design activities require a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system and substantial work has been done to verify its accuracy on several identified commercial needs. This manuscript details the verification work done on PERSENT which relies upon the DIF3D code for its forward and adjoint flux solution. Previous work identified the PERSENT features required to be verified to support commercial design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying PERSENT’s ability to correctly calculate four key quantities: perturbation worth distributions, kinetics parameters, sensitivity coefficients, and cross section uncertainty quantification. This manuscript provides the verification tasks and their results with respect to these quantities needed for commercial design activities. For the perturbation worth distributions, hand calculations are deployed to verify the PERSENT calculated results. Similarly, hand calculation of the PERSENT computed kinetics parameters is also used to verify the PERSENT results. In both of these, the input to PERSENT is manipulated to ensure the hand calculation exactly matches the equations PERSENT is calculating. The sensitivity coefficients involve calculating the derivatives of a parameter (such as reactivity worth), with respect to the cross section data. Direct finite difference calculations with DIF3D are used to verify the PERSENT calculated results. For the uncertainty quantification, manufactured input to PERSENT is used to allow an exact hand calculation to reproduce the PERSENT calculated results. The work detailed in this report verified that significant issues were identified for earlier versions of PERSENT for sensitivity coefficients which were corrected in this work and thus version 12.1.0 of PERSENT must be used to reproduce all of the verified work in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Closing the Loop Between In Situ Stress Complexity and EGS Fracture Complexity: Quarterly Research Performance Progress Report

58 GEOSCIENCES↗

DOE OSTI2025

Bypassing Fast Time Scales of the Hodgkin-Huxley Neuron Model via a Thresholded Hard Reset

We propose a modification to the Hodgkin-Huxley model to reduce the numerical stiffness of the equations by introducing an explicit voltage threshold. When this threshold is crossed, the voltage and the gating variables are reset to constant values. It is found that, for all of the current stimuli considered, the proposed model accurately reproduces the behavior of the baseline Hodgkin-Huxley model while bypassing the fast dynamics of spiking. Specifically, the model accurately reproduces the spike times and, between spikes, the time courses of the membrane potential and gating variables.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Detection of Critical Surface Features in PTLs and GDLs for Improved Device Performance and Manufacturing Reliability

High points, or features that protrude above the surface of the material, on porous transport layers (PTLs) and gas diffusion layers (GDLs) can be critical features that may affect the manufacturing process and the performance of the device containing the feature. High points on PTLs and GDLs may stress the membrane of a polymer electrolyte membrane (PEM) during lamination and cell operation of a PEM electrolyzer or fuel cell. Additionally, high points on GDLs may impact the reliability of the manufacturing process. Thus, understanding these critical features and developing procedures to detect them are a key part of developing quality control techniques for PTLs and GDLs. This work evaluates the effectiveness of the Keyence VR6200 benchtop-scale structured light optical profilometer for detection of surface protrusions on PTLs and GDLs. Standard testing procedures for detecting and measuring high points were created for use on both material types. These procedures were evaluated using Gage Repeatability and Reproducibility (Gage R&R), where the repeatability, reproducibility, and effectiveness of the system to detect and measure high points were quantified. We have shown with high statistical power that the system is very effective in detection and measurement of high points, with Gage R&R contributions measured to be 2.2% and 3.6% for PTLs and GDLs, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Molten Salt Corrosion Tests of Additively Manufactured Stainless Steel 316H

Molten salt reactors (MSRs) have drawn considerable interest due to their favorable safety features, high thermal efficiency, and compatibility with different fuel cycles. Yet, the success of MSRs hinges critically on the performance of structural materials to be used in these aggressive molten salt environments, where corrosion and material compatibility remain primary challenges to long-term reliability. Additively manufactured (AM) nuclear structural materials prompt the use of novel geometries and compositions to enhance material performance and reduce costs of constructing MSRs. The rapid solidification conditions inherent to AM processing impart distinctive microstructural features, including cellular sub-structures, dislocation densities, residual stress, and oxide inclusions, which can influence material performance in MSR components. While the mechanical properties of AM stainless steels have been widely studied, their corrosion behavior, particularly in molten salt environments, has received far less attention. Addressing these needs, the Advanced Materials and Manufacturing Technologies (AMMT) program provides a framework for systematically evaluating how unique microstructures produced by AM processes influence the performance of these materials in these demanding environments and for developing reproducible testing workflows that can support future code qualification efforts and standards development. Bridging this knowledge gap is essential for assessing the viability of AM alloys in MSRs and informing qualification strategies. A further challenge is the absence of standardized protocols for molten salt corrosion testing. Accordingly, this report provides an account of the corrosion evaluation of AM 316H stainless steel in NaCl 2 -MgCl 2 molten salt at 550 °C, with exposure times of 100 and 500 hours. It documents the experimental procedures implemented under the AMMT program, including salt preparation, exposure protocols, and post-test characterization methods, to establish reproducibility and transparency. Importantly, the study examines AM 316H samples in the as-fabricated condition, directly reflecting the surface state most relevant to engineering applications, and compares their behavior to machine-cut surfaces. Overall, preliminary evaluations have noted that surface conditions (e.g. morphology, contamination, etc.) have a noticeable impact on the corrosion resiliency. The impact of the corrosion is difficult to detect at 100h, unless, in the case of AM 316H, the specimen surface is decontaminated. After 500 h, as-fabricated surfaces of AM and wrought 316H display evidence of general versus preferential corrosion attack, respectively. Both AM and wrought 316H machine-cut surfaces exhibit a continuous Cr depletion zone, evident of general corrosion. While the estimated extent of corrosion appears within the same order of magnitude regardless of the surface condition, it is apparent that more predictable behavior is observed on machine-cut surfaces. Nonetheless, further investigation is necessary to fully elucidate the corrosion mechanism under these conditions.

36 - MATERIALS SCIENCE↗

DOE OSTI2026

Modeling of a Four-Stage Linear Ionization Cooling Channel for a Muon Collider in g4Beamline

A previous study of an eight-stage rectilinear ionization cooling channel in the ICOOL software demonstrated a five-order-of-magnitude reduction in a muon beam’s 6D emittance. In this study, we look to compare the ways ICOOL and Muons, Inc.’s g4Beamline software model ionization cooling by comparing their modeling of the first four stages of this optimized cooling channel constructed in ICOOL. We begin by identifying the parameters used to construct the optimized ionization cooling channel in ICOOL. We then reconstruct this beam in g4Beamline with identical parameter specifications and simulate the cooling of an identical input beam. Finally, we compare the two simulations based on their beam transmission, longitudinal emittance, and transverse emittance along the channel length. Through this process, we demonstrate that G4Beamline accurately reproduces transverse cooling results but predicts systematically different longitudinal emittance evolution while maintaining similar overall cooling performance, reproducing a 97.9% reduction in 6D emittance over four stages.

Keeler, Dominic [Purdue U., West Lafayette] (ORCID↗

DOE OSTI2025

Comprehensive Database of Environmental Mitigations Extracted from FERC-Licensed Hydropower Projects Using Artificial Intelligence Techniques, 1998-2023

This dataset provides a comprehensive inventory of environmental mitigation measures required by Federal Energy Regulatory Commission (FERC) licensed hydropower facilities from 461 licenses that were issued from 1998 to 2023. These licenses constitute 446 of the 1015 FERC projects that were active at the end of 2023. 17,612 mentions of environmental mitigations were identified and categorized in 128 unique categories. Mitigations were identified using a Natural Language Processing (NLP) approach, specifically with a Bidirectional Encoder Representations from Transformer (BERT) model. Model-derived results were then reviewed and updated by a subject matter expert as needed. This dataset introduces important enhancements to previous efforts to inventory environmental mitigations, such as including associated license text for each mitigation, tracking the number of instances a mitigation was identified within a license, and providing improved location information. These enhancements significantly expand the dataset's utility, offering greater analytical capabilities and ensuring reproducibility. The dataset is downloadable as a zip file containing the metadata and dataset files.

Ruggles, Thomas [Oak Ridge National Laboratory (OR↗

DOE OSTI2017

Application of the new IAPWS Guideline on the fast and accurate calculation of steam and water properties with the Spline-Based Table Look-Up Method (SBTL) in RELAP-7

The numerical simulation of thermalhydraulic processes in nuclear power plants requires very accurate and extremely fast algorithms for calculating the thermophysical properties of water and steam. In order to provide such algorithms, the International Association for the Properties of Water and Steam (IAPWS) has adopted the new “IAPWS Guideline on the Fast Calculation of Steam and Water Properties with the Spline-Based Table Look-Up Method (SBTL)”. In this article, the SBTL method is applied to property functions of specific volume and specific internal energy (v,e) based on the scientific formulation IAPWS-95 and the latest IAPWS formulations for transport properties. From the newly generated SBTL functions, thermodynamic and transport properties as well as their derivatives and inverse functions are calculable in the fluid range of state for pressures up to 100 MPa and for temperatures up to 1273 K, including the metastable liquid and the metastable vapor regions. The SBTL functions reproduce the underlying formulations with an accuracy of 10–100 ppm and significantly reduced computing times. The SBTL method has been implemented into the nuclear reactor system safety analysis code RELAP-7 [2] to consider the real fluid behavior of water and steam in a novel 7-equation two-phase flow model.

42 ENGINEERING↗