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DOE OSTI2021

3D imaging techniques for characterising microcracks in cement-based materials

Concrete inherently contains pores and microcracks that can adversely impact its mechanical properties and long-term durability. However, characterising microcracks is difficult due to their complex, multiscale and three-dimensional (3D) nature. This paper presents an evaluation of 3D imaging techniques for characterising microcracks induced by different mechanisms. Seven cement pastes, mortars and concretes subjected to drying shrinkage, autogenous shrinkage and freeze-thaw cycles were investigated using focused ion beam nanotomography (FIB-nt), broad ion beam serial section tomography (BIB-SST), laser scanning confocal microscopy (LSCM) combined with serial sectioning and X-ray microtomography (μCT). The study shows that the characteristics of microcracks vary significantly depending on exposure conditions. Yet there is no single technique that can capture the entire size range of microcracks from sub to tens of μm within a sufficiently representative sampling volume. The achievable image volume and resolution, and the advantages and disadvantages of each technique are compared and discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Thermal-Mechanical Analysis of an Additive Manufacturing Ceramic Heat Exchanger for High-Temperature Recuperator in a sCO2 Power System

Supercritical CO2 (sCO2) Brayton power cycle can be configured in a closed-loop power system and has a potentially high cycle efficiency. Compactness and high efficiency of a sCO2 power block make the sCO2 Brayton cycle a versatile power cycle in broad applications. While many heat sources are of sufficient intensity to produce high temperature working fluids to achieve high cycle efficiency, the thermal-mechanical stability of traditional materials (e.g., steels and nickel-based superalloys) used in construction of heat exchangers and turbine components limits the operating conditions and thus thermodynamic efficiency of the system. This effort seeks to establish the viability of ceramic heat exchanger technologies for the most extreme operating conditions envisioned for power generation and other high temperature processes. Heat exchangers constructed from ultra-high temperature ceramics, a class of extreme environment materials featuring melting points (Tmp.) above 3000 degrees C, is particularly appealing for sCO2 Brayton cycles given their ultra-low creep rates and very high retained strength at low homologous temperatures (i.e., T < 0.5 Tmp., or at least 1500 degrees C). To translate these materials properties to ultra-high temperature heat exchangers, innovations are required in ceramic manufacturing techniques to realize the complex architectures featured in compact heat exchangers with high power density. With appropriate processing, ZrB2-SiC based compositions can be sintered to near full density and shaped into complex topologies via ceramic additive manufacturing methods. This paper analyzes heat exchanger designs and explores thermal-mechanical implications of the operating environment. Thermal flow, heat transfer, and conjugate mechanical analyses provide insights into benefits and risks associated with the design approach.

additive manufacturing↗

DOE OSTI2023

Modeling, analysis, and optimization of complex nuclear processes and facilities via computational methods: The HALEU process case study

Improving and adapting industrial systems to timely meet changing programmatic and market demands is an important goal to achieve, including when operating and maintaining complex nuclear processes and facilities. However, changes to these complex systems are costly, particularly when they are already in place and bounded to stringent requirements and constraints such as when handling radioactive material and contaminated equipment. These conditions often exist when treating spent nuclear fuel remotely within shielded nuclear radiation chambers, commonly referred as hot cells, to condition nuclear material and/or fabricate products for utilization in other nuclear enterprises such as in the manufacture of advanced nuclear fuel. The illustrative case considered here is the production of high assay low enriched uranium (HALEU) products supporting the deployment of advanced nuclear reactors. For the HALEU program, resources invested were and are being systematically analyzed so that these investments are maximized in a facility that is nearly 60 years old. A methodology that has effectively enabled optimized and improvements in the Spent Fuel Treatment (SFT) program, and consequently the HALEU program, involves discrete event simulation as addressed in this article. Here, the quantification of multiple productivity metrics, including material processing rates, cycle times, bottlenecks, number of material transfers as well as equipment, workstation, and material handling utilization, has resulted in a myriad of diverse discoveries and data-informed decisions regarding process layout and constituent, labor levels and schedules, selection of new process units, storage needs, and other critical process configurations. This article describes such a computational capability being applied for decision-making, illustrates its application to an actual process and program, provides illustrative results, and argues how computational methods for the modeling, analysis, and optimization of complex processes and facilities does lead to informed decisions derived from data and not only from intuition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Assessing the Impact of Large Removable Beryllium Reflector Experiments on HFIR Performance and Safety Metrics

This study investigated the effect of various removable beryllium (RB) experiment configurations on High Flux Isotope Reactor (HFIR) metrics to address increasing interest in these facilities for materials and fuels irradiation research. The RB reflector contains eight large and four small irradiation experiment facilities that offer excellent neutron flux conditions to perform fission and fusion reactor materials and fuels irradiation research. This work aims to outline acceptable RB configurations based on safety, performance, and programmatic metrics. This study assessed experiment effects on reactivity, cycle length, fission rate density distributions, and neutron flux distributions using the Shift, HFIRCON, and SCALE ORIGEN codes. Initial evaluations focused on generic experiment materials including aluminum plugs, stainless steel plugs, molybdenum plugs, and aluminum plugs with gadolinium shields. Subsequent analyses of MiniFuel experiments were performed to evaluate a heterogenous experiment, consisting of a more complex geometry and bearing several materials, and to test the correlations developed with the generic materials on a real experiment. Furthermore, the effects of neutron poison concentrations in the standard beryllium plugs were evaluated. When assuming a reference RB configuration with eight large fresh beryllium plugs, perturbed configurations with three aluminum plugs, one stainless steel plug, one molybdenum plug, one gadolinium-shielded aluminum plug, and one MiniFuel experiment resulted in a cycle length reduction of less than 1.3 days, the current threshold before requiring additional approvals. Configurations with five aluminum plugs, one stainless steel plug, one molybdenum plug, one gadolinium-shielded aluminum plug, and two MiniFuel experiments meet the 1.3 day limit if irradiated beryllium plugs are considered. Fuel element fission rate density distributions remained within safety limits, with maximum local increases under 9%. Neutron flux calculations revealed large thermal flux depressions inside and around the perturbed RB facilities, while epithermal and fast neutron fluxes increased because of reduced neutron moderation by the perturbed materials. These findings provide valuable guidance for optimizing RB configurations to balance safety and performance at HFIR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Dimolybdenum Paddlewheel Complexes with Cation Binding Sites as Electrolyte Additives to Manipulate the Solid-Electrolyte Interphase at Lithium Metal Anodes

The use of electrolyte additives at millimolar loadings to control the surface chemistry of lithium metal anodes (LMAs) is a leading strategy to improve lithium metal batteries and promote electrosynthetic reactions. Whereas previous studies employed either inorganic or organic additives, in this study, we report the first organometallic additive, Mo 2 (mea) 4 [1, mea = 2-(2-methoxyethoxy)acetate], a dimolybdenum paddlewheel complex that is stable under Li plating conditions and features cation binding sites in the second coordination sphere that promote reversible Li + coordination. Binding of Li + ions to 1 induces immobilization of cationically charged aggregates (or products thereof) into the solid electrolyte interphase (SEI), imparting multiple beneficial functions. The modified SEI was found to protect the LMA against parasitic side reactions, produce modest but measurable improvements to Li plating properties (e.g., overpotential, surface structure, and Coulombic efficiency), and improve interfacial charge transport properties. Furthermore, the most notable benefit to battery cycling performance appears in calendar aging tests, which show that the presence of the additive protects the LMA from parasitic side reactions that would otherwise decrease overall cell cycling efficiency over time. Collectively, these data disclose a tactic for designing electrolyte additives using principles of organometallic synthesis.

Additives↗

DOE OSTI2025

Preliminary Techno-Economic Assessment of Gas Switching Reforming (GSR) of Natural Gas for Pure Hydrogen Production and Power Generation with Integrated CO2 Capture

The increasing demand for hydrogen and the CO2 intensity of natural gas (NG) reforming motivate the development of low-carbon-emission hydrogen production technologies. Gas Switching Reforming (GSR) is an advanced auto-thermal reforming technology that produces hydrogen or syngas from natural gas. It integrates inherent CO2 capture by utilizing a specialized oxygen carrier in a single fluidized bed reactor, eliminating the need for complex, energy-intensive post-combustion separation. GSR technology builds upon Chemical Looping Reforming (CLR), an experimentally proven technology with strong potential for scaling up. In this study, select oxygen carriers (OC) (NiO/Al2O3, Fe2O3-CeO2/Al2O3, and magnetite) were tested in methane steam reforming in a fixed bed reactor to determine their relative reactivities under relevant conditions for GSR (800 °C, 7 bar total pressure). Process models were then developed to perform techno-economic analysis (TEA) of GSR for hydrogen production (GSR-H₂) and a combined cycle (GSR-CC) in which high-purity H₂ is fired in a gas turbine to produce electricity. Operating at 10 bar and 1100 °C and with the additional recovery steps implemented increased H₂ production by ~30% and improved efficiency relative to prior studies. For GSR-H₂, the levelized cost of hydrogen (LCOH) is 1.61–1.64 $/kg-H₂, competitive with a reference SMR case, though operating and maintenance costs are higher due to increased electricity demand. GSR-CC has a significantly higher levelized cost of electricity (LCOE) than its reference NGCC (natural gas combined cycle) plant, suggesting it is less competitive; however, increasing production scale could make it more attractive. Life-cycle results for GSR-H2 indicate NG consumption drives ~75% of total global warming impacts (~2.3 kg CO2 eq/kg H2). An environmental, health, and safety screening suggests iron-based carriers are comparatively safer, whereas NiO may pose greater risks. Overall, GSR-H2 is a scalable, competitive option for hydrogen production using nickel and non-nickel OC.

03 NATURAL GAS↗

DOE OSTI2024

Inaugural Molten Salt Technologies Workshop Powering the Future

The inaugural “Molten Salt Technologies – Powering the Future” Workshop marked a significant convergence of minds from diverse industries, each harnessing molten-salt technologies in innovative ways. Participants from sectors such as solar, geothermal, and advanced nuclear energy, as well as those involved in cutting-edge applications like thermal transport and rare-earth metals extraction, gathered to discuss their shared technical challenges and opportunities. Industry leaders in metal extraction and recycling, alongside experts in high-temperature sensor technology and advanced material manufacturing, also brought their unique perspectives to the table. This workshop served as a crucial platform for these varied industries to delve into the engineering intricacies that molten salt technologies entail. Common challenges such as understanding the thermophysical properties of salts, tackling corrosion mechanisms in harsh environments, and enhancing material resilience under extreme conditions were at the forefront of discussions. These technical sessions highlighted the critical need for cross-industry collaboration to address issues like salt life-cycle process engineering, impurity mitigation, and the development of durable, high-performance materials. By bringing together academia, industry, and representatives from national laboratories and the U.S. Department of Energy (DOE), the workshop facilitated a rich exchange of knowledge and experiences. This interaction not only fostered new partnerships but also strengthened the network among existing collaborators, setting the stage for joint solutions to the complex problems faced by all sectors using molten salt technologies. The event underscored the importance of collaborative efforts in overcoming common engineering challenges and advancing the application of molten-salt technologies across various industries. The workshop not only provided an essential forum for networking and idea exchange but also highlighted the collective drive towards innovative solutions that could benefit multiple fields.

Department of Energy↗

DOE OSTI2024

Inaugural Molten Salt Technologies Workshop Powering the Future

Department of Energy↗

NASA NTRS1988

Fatigue life prediction modeling for turbine hot section materials

This paper presents a summary of the life prediction methods developed under the NASA Lewis Research Center's Hot Section Technology (HOST) program. A major objective of the fatigue and fracture efforts under the HOST program was to significantly improve the analytic life prediction tools used by the aeronautical gas turbine engine industry. This has been achieved in the areas of high-temperature thermal and mechanical fatigue of bare and coated high-temperature superalloys. Such technical improvements will eventually reduce life cycle costs. The cyclic crack initiation and propagation resistance of nominally isotropic polycrystalline alloys and highly anisotropic single crystal alloys has been addressed. A sizeable data base has been generated for three alloys [cast PWA 1455 (B-1900 + Hf), wrought Inconel 718, and cast single crystal PWA 1480] in bare and coated conditions. Two coatings systems, diffusion aluminide (PWA 273) and plasma sprayed MCrAIY overlay (PWA 286) were employed. Life prediction modeling efforts were devoted to creep-fatigue interaction, oxidation, coatings interactions, multiaxiality of stress-strain states, mean stress effects, cumulative damage, and thermomechanical fatigue. The fatigue crack initiation life models developed to date include the Cyclic Damage Accumulation (CDA) Model of Pratt & Whitney and the Total Strain Version of Strainrange Partitioning (TS-SRP) of NASA Lewis for nominally isotropic materials, and the Tensile Hysteretic Energy Model of Pratt & Whitney for anisotropic superalloys. The fatigue model being developed by the General Electric Company is based upon the concepts of Path-lndependent Integrals (PII) for describing cyclic crack growth under complex nonlinear response at the crack tip due to thermomechanical loading conditions. A micromechanistic oxidation crack extension model has been derived by researchers at Syracuse University. The models are described and discussed in the paper. Only limited verification has been achieved to-date as several of the technical programs are still in progress and the verification tasks are scheduled, quite naturally, near the conclusion of the program. To-date, efforts have concentrated on development of independent models for cyclic constitutive behavior, cyclic crack initiation, and cyclic crack propagation. The transition between crack initiation and crack propagation has not been thoroughly researched as yet, and the integration of these models into a unified life prediction method has not been addressed.

Metal fatigue↗

DOE OSTI2026

RADAI: A Large-Scale Realistic Dataset for Radiation Detection Algorithm Development

Open, realistic datasets are essential for developing and benchmarking radiation detection algorithms, yet they remain scarce. The Radiological Anomaly Detection and Identification (RADAI) project was develop to create datasets that meet the training and testing needs for sophisticated radiation detection algorithms. The RADAI dataset is a large-scale synthetic resource that integrates high-fidelity Monte Carlo simulations with realistic urban scenarios to capture both background variability and source signatures. RADAI models construction-material NORM, people and vehicles, urban clutter, and dynamic environmental effects such as cosmic-ray and rain-induced transients, and they provide list-mode detector data with motion and response modeling suitable for algorithm training and evaluation. The RADAI project resulted in three publicly-released complementary datasets together with an online scoring portal for standardized performance assessment and an open software toolkit that supports data access, augmentation, model development, and evaluation. These resources enable reproducible comparisons across methods and promote rigorous studies at the scale required by contemporary machine learning. By grounding algorithm development in realistic, well-documented conditions, RADAI supports progress toward more robust detection, identification, and localization in complex urban environments.

Ghawaly, James M. [Division of Computer Science an↗

DOE OSTI2021

Local and Global Sensitivity Analysis of a Reactive Transport Model Simulating Floodplain Redox Cycling

Reactive transport models (RTMs) are essential tools that simulate the coupling of advective, diffusive, and reactive processes in the subsurface, but their complexity makes them difficult to understand, develop and improve without accompanying statistical analyses. Although global sensitivity analysis (SA) can address these issues, the computational cost associated with most global SA techniques limits their use with RTMs. In this study, we apply distance-based generalized sensitivity analysis (DGSA), a novel and computationally efficient method of global SA, to a floodplain-scale RTM and compare DGSA results to those from local SA. Our test case focuses on the impact of 17 uncertain environmental parameters on spatially and temporally variable redox conditions within a floodplain aquifer. The input parameters considered include flow and diffusion rates, geochemical reaction rates, and the spatial distribution of sediment facies. Sensitivity was evaluated for three distinct components of the model response, encompassing both multidimensional and categorical output. Parameter rankings differ between local SA and DGSA, due to nonlinear effects of individual parameters and interaction effects between parameters. DGSA results show that fluid residence time, which is controlled by aquifer permeability, generally exerts a stronger control on redox conditions than do geochemical reaction rates. Sensitivity indices also demonstrate that sulfate reduction is key for establishing and maintaining reducing conditions throughout the aquifer. Furthermore, these results provide insights into the key drivers of heterogeneous redox processes within floodplain aquifers, as well as the main sources of uncertainty when modeling complex subsurface systems.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2001

Automated Tow Placed LaRC(TM)-PETI-5 Composites

LaRC(TM)-PETI-5 is a PhenylEthynyl-Terminated Imide resin developed at NASA Langley Research Center (LaRC) during the 1990s. It offers a combination of attractive composite and adhesive properties. IM7/LaRC(TM)-PETI-5 composites exhibit thermal and thermo-oxidative stability typical of polyimides, superior chemical resistance and processability, excellent mechanical properties, toughness and damage tolerance. It was selected for study in the High Speed Research program aimed at developing technologies for a future supersonic aircraft, the High Speed Civil Transport, with a projected life span of 60 000 h at a cruise speed up to Mach 2.4. Robust autoclave processing cycles for LaRC(TM)-PETI-5 composites have been thoroughly designed and demonstrated, which involved hand lay-up of solvent-ladened 'wet' prepregs. However, this type of processing is not only costly but also environmentally unfriendly. Volatile management and shrinkage could become serious problems in the fabrication of large complex airframe structural subcomponents. Robotic tow placement technology utilizing 'dry' material forms represents a new fabrication process which overcomes these deficiencies. This work evaluates and compares mechanical properties of composites fabricated by heated head automated tow placement (dry process) with those obtained by hand lay-up/autoclave fabrication (wet process). Thermal and rheological properties of the robotically as-placed uncured composites were measured. A post-cure cycle was designed due to the requirement of the PETI-5 resin for a 370 C/1 h hold to reach full cure, conditions which cannot be duplicated during heated head robotic placement. Mechanical properties such as 0 degree flexural strength and modulus, open hole tensile and compressive strength and moduli, reduced section compression dogbone compressive strength, and modified zippora-medium small (MZ-MS) tensile and compressive properties were obtained on the post-cured panels. These properties compared favourably with those obtained from the wet process.

Hou, T. H.↗

DOE OSTI2026

Low-stress creep behavior of multiple salt caverns under cyclic operations

Here, the use of multiple salt caverns for large-scale underground hydrogen storage offers a strategic solution to the growing demand for efficient and flexible energy storage, due to the inherent low permeability, high mechanical strength, and self-healing properties of the salt formation. Despite these advantages, the long-term geomechanical response of salt caverns under cyclic injection and withdrawal remains a significant challenge for ensuring operational stability. This mechanistic study highlights the critical role of low-stress creep, also known as pressure solution creep, in governing deformation of salt caverns during cyclic operations. Unlike conventional creep mechanisms that dominate under high-stress conditions, low-stress creep becomes particularly relevant under the moderate stress changes induced by repeated injection and withdrawal, which provides a previously underexplored control on cavern closure. Our three-dimensional computational model integrates the low-stress creep mechanism into the Munson–Dawson creep equation across a spectrum of operational scenarios including variations in cavern pressure cycles, injection-withdrawal frequencies, and caprock mechanical property. The low-stress creep components accelerate the cavern creep closure, which is amplified with shorter cycle frequency and larger pressure difference. Sensitivity analyses capture the complex interactions between multiple caverns and surround formations at the field scale that allows for a quantitative assessment of deformation patterns and closure rates over time and thereby informs the design and operation of sustainable underground hydrogen storage system.

Cyclic operation↗

DOE OSTI2026

Impact of Fermentation-Derived Substrates on Hydrogen Production in Zero-Gap Microbial Electrolysis Cells

Zero-gap microbial electrolysis cells (MECs) represent a promising platform for hydrogen production from liquid waste streams due to reduced interelectrode spacing that lowers internal resistance and enhances mass transport. However, the performance and stability of zero-gap MECs treating chemically complex feedstocks remain insufficiently characterized. Here, we operated zero-gap MECs with real, unamended, corn stover dark fermentation effluent containing a wide range of organic substrates. The MECs fed fermentation effluent achieved a maximum current density of 24 A/m2 (15+-6 A/m2 over the cycle) and a hydrogen production rate of 75 L/L-d (42+-19 L/L-d over the cycle). The substrates were consumed at different rates, indicating substrate-selective utilization by the anodic microbial community. Acetate supported high and stable current generation, whereas ethanol, formate, lactate, and amino acids induced varying degrees of inhibition depending on their concentration. Residual sugars caused pronounced current fluctuations, consistent with ongoing fermentation and local pH changes. A diverse microbial community was crucial for efficiently utilizing complex organics and maximizing electrochemical performance. These results demonstrate how and to what extent substrate composition regulates zero-gap MEC performance and that microbial community and operational conditions can be leveraged to enhance performance. These novel findings provide practical guidance for achieving robust hydrogen recovery from chemically heterogeneous real liquid waste streams.

08 HYDROGEN↗

NASA NTRS1993

Phase holograms in PMMA with proximity effect correction

Complex computer generated phase holograms (CGPH's) have been fabricated in PMMA by partial e-beam exposure and subsequent partial development. The CGPH was encoded as a sequence of phase delay pixels and written by the JEOL JBX-5D2 E-beam lithography system, a different dose being assigned to each value of phase delay. Following carefully controlled partial development, the pattern appeared rendered in relief in the PMMA, which then acts as the phase-delay medium. The exposure dose was in the range 20-200 micro-C/sq cm, and very aggressive development in pure acetone led to low contrast. This enabled etch depth control to better than plus or minus lambda(sub vis)/60. That result was obtained by exposing isolated 50 micron square patches and measuring resist removal over the central area where the proximity effect dose was uniform and related only to the local exposure. For complex CGPH's with pixel size of the order of the e-beam proximity effect radius, the patterns must be corrected for the extra exposure caused by electrons scattered back up out of the substrate. This has been accomplished by deconvolving the two-dimensional dose deposition function with the desired dose pattern. The deposition function, which plays much the same role as an instrument response function, was carefully measured under the exact conditions used to expose the samples. The devices fabricated were designed with 16 equal phase steps per retardation cycle, were up to 1 cm square, and consisted of up to 100 million 0.3-2.0 micron square pixels. Data files were up to 500 MB long and exposure times ranged to tens of hours. A Fresnel phase lens was fabricated that had diffraction limited optical performance with better than 85 percent efficiency.

Maker, Paul D.↗

DOE OSTI2021

CFD/FEA Co-Simulation Framework for Analysis of the Thermal Barrier Coating Design and Its Impact on the HD Diesel Engine Performance

Thermal barrier coatings (TBCs) have been investigated both experimentally and through simulation for mixing controlled combustion (MCC) concepts as a method for reducing heat transfer losses and increasing cycle efficiency, but it is still a very active research area. Early studies were inconclusive, with different groups discovering obstacles to realizing the theoretical potential. Nuanced papers have shown that coating material properties, thickness, microstructure, and surface morphology/roughness all can impact the efficacy of the thermal barrier coating and must be accounted for. Adding to the complexities, a strong spatial and temporal heat flux inhomogeneity exists for mixing controlled combustion (diesel) imposed onto the surfaces from the impinging flame jets. In support of the United States Department of Energy SuperTruck II program goal to achieve 55% brake thermal efficiency on a heavy-duty diesel engines, this study sought to develop a deeper insight into the inhomogeneous heat flux from mixing controlled combustion on thermal barrier coatings and to infer concrete guidance for designing coatings. To that end, a co-simulation approach was developed that couples high-fidelity computational fluid dynamics (CFD) modeling of in-cylinder processes and combustion, and finite element analysis (FEA) modeling of the thermal barrier-coated and metal engine components to resolve spatial and temporal thermal boundary conditions. The models interface at the surface of the combustion chamber; FEA modeling predicts the spatially resolved surface temperature profile, while CFD develops insights into the effect of the thermal barrier coating on the combustion process and the boundary conditions on the gas side. The paper demonstrates the capability of the framework to estimate cycle impacts of the temperature swing at the surface, as well as identify critical locations on the piston/thermal barrier coating that exhibit the highest charge temperature and highest heat fluxes. In addition, the FEA results include predictions of thermal stresses, thus enabling insight into factors affecting coating durability. An example of the capability of the framework is provided to illustrate its use for investigating novel coatings and provide deeper insights to guide future coating design.

42 ENGINEERING↗

DOE OSTI2025

Multiphysics Modeling of Microreactors with NEAMS codes, and Validation Based on KRUSTY Reactivity Insertion

The NEAMS Multiphysics Applications team continues to assess code usability and functionality for microreactor design and safety analyses, while demonstrating that NEAMS tools capture both steady-state and transient behavior across distinct microreactor concepts. In FY2025, the team advanced full-core, high-fidelity, multiphysics models that solve more complex problems and strengthen verification/validation for several microreactor systems: heat-pipe microreactor (HPMR), gas-cooled microreactor (GCMR), and the KRUSTY experiment. These models employ the MOOSE MultiApp/Transfers architecture with Griffin for neutronics, BISON for heat conduction/thermomechanics, Sockeye for heat pipes, SAM/THM for coolant channels and loops, and SWIFT for hydride behavior, with meshes generated via the MOOSE Reactor Module. The graphite models available in the Grizzly code were also investigated for future analyses. For the HPMR, a Na-HPMR variant was constructed to align with recently validated heat-pipe experiments and Sockeye’s LCVF capability, enabling mechanistic heat-pipe transients and startup modeling. The Na-HPMR will serve as the primary model for HPMR investigations in upcoming tasks. The load-following and single heat-pipe failure scenarios (Griffin/BISON/Sockeye), which were previously modeled for the K-HPMR, were replicated for the Na-HPMR, showing strong negative temperature feedback and highly localized thermal effects, respectively, while the startup case captured vapor-front progression and heat-removal activation. Solid mechanics was added to the previously built K-HPMR full-core model in BISON, showing minimal impact on steady-state reactivity yet enabling stress-field predictions that prepare the path for full-core TRISO performance analyses. For the GCMR, automated steady-state and four transient scenarios were executed using Griffin/BISON/SAM/SWIFT. Results confirm robust inherent safety: power collapses promptly in loss-of-cooling events, the inlet-temperature drop settles to a new equilibrium, and a single-channel blockage yields only a ~30 K local fuel-temperature rise with <0.4% power decrease. SWIFT-predicted hydrogen redistribution affects reactivity during both steady-state and transient conditions, underscoring its importance. A Brayton-cycle balance of plant (BOP) model in SAM/THM demonstrated stable startup behavior, and xenon-driven reactivity during load following was analyzed. To improve TRISO-compact temperature fidelity, a fast multiscale Heat Source Decomposition (HSD) treatment was implemented. Against heterogeneous benchmarks, HSD reduces underprediction of kernel temperatures and lowers predicted peak powers in reactivity-insertion transients compared to previous homogenized models. KRUSTY warm-critical validation progressed from FY2024 baselines: the 15Ȼ insertion shows excellent agreement in peak power (~2% high) and temperature trends, and the 30Ȼ case was automated via a feedback controller that maintained power near 3 kW for ~150 s with close agreement to data. The successful modeling of the warm critical tests has laid a strong foundation for simulating more complex nuclear system tests in the years ahead. Throughout FY2025, developer feedback was provided (e.g., MOOSE batch mesh generation, distributed pre-split meshes, Griffin sweeper on displaced meshes), several new models were contributed to the Virtual Test Bed, and an OECD-NEA WPRS multiphysics benchmark based on the HPMR was initiated to enable broader cross-comparison and best-practice development with the nuclear community at large.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Impacts of directed evolution and soil management legacy on the maize rhizobiome

Domestication and agricultural intensification dramatically altered maize and its cultivation environment. Changes in maize genetics (G) and environmental (E) conditions increased productivity under high-synthetic-input conditions. However, novel selective pressures on the rhizobiome may have incurred undesirable tradeoffs in organic agroecosystems, where plants obtain nutrients via microbially mediated processes including mineralization of organic matter. Using twelve maize genotypes representing an evolutionary transect (teosintes, landraces, inbred parents of modern elite germplasm, and modern hybrids) and two agricultural soils with contrasting long-term management, here we integrated analyses of rhizobiome community structure, potential microbe-microbe interactions, and N-cycling functional genes to better understand the impacts of maize evolution and soil management legacy on rhizobiome recruitment. We show complex shifts in rhizobiome communities during directed evolution of maize (defined as the transition from teosinte to modern hybrids), with a larger effect of domestication (teosinte to landraces) than modern breeding (inbreds to hybrids) on rhizobiome structure and greater impacts of modern breeding on potential microbe-microbe interactions. Rhizobiome structure was significantly correlated with plant nutrient composition. Furthermore, plant biomass and nutrient content were affected by G x E interactions in which teosinte and landrace genotypes had better relative performance in the organic legacy soil than inbred and modern genotypes. The abundance of six N-cycling genes of relevance for plant nutrition and N loss pathways did not significantly differ between teosinte and modern rhizospheres in either soil management legacy. These results provide insight into the potential for improving maize adaptation to organic systems and contribute to interdisciplinary efforts toward developing resource-efficient, biologically based agroecosystems.

59 BASIC BIOLOGICAL SCIENCES↗