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At least 181 records · Page 10

Characterize traction–separation relation and interfacial imperfections by data-driven machine learning models

Abstract Interfacial mechanical properties are important in composite materials and their applications, including vehicle structures, soft robotics, and aerospace. Determination of traction–separation (T–S) relations at interfaces in composites can lead to evaluations of structural reliability, mechanical robustness, and failures criteria. Accurate measurements on T–S relations remain challenging, since the interface interaction generally happens at microscale. With the emergence of machine learning (ML), data-driven model becomes an efficient method to predict the interfacial behaviors of composite materials and establish their mechanical models. Here, we combine ML, finite element analysis (FEA), and empirical experiments to develop data-driven models that characterize interfacial mechanical properties precisely. Specifically, eXtreme Gradient Boosting (XGBoost) multi-output regressions and classifier models are harnessed to investigate T–S relations and identify the imperfection locations at interface, respectively. The ML models are trained by macroscale force–displacement curves, which can be obtained from FEA and standard mechanical tests. The results show accurate predictions of T–S relations ( R 2 = 0.988) and identification of imperfection locations with 81% accuracy. Our models are experimentally validated by 3D printed double cantilever beam specimens from different materials. Furthermore, we provide a code package containing trained ML models, allowing other researchers to establish T–S relations for different material interfaces.

97 MATHEMATICS AND COMPUTING↗

Circularity Futures Workshop Series: Summary Report

The aim of this report is to synthesize key feedback received from the three-part Circularity Futures workshop series held in Spring 2024. The workshop series was conducted by the National Renewable Energy Laboratory (NREL) on behalf of U.S. Department of Energy, Office Energy Efficiency and Renewable Energy (EERE), and was broken into three workshops: Workshop 1 - Circularity Analysis Needs and Priorities; Workshop 2 - Circularity Metrics and Indicators; and Workshop 3 - Circularity Data. Together, the workshops focused on identifying the existing priorities and gaps in the circularity modeling space, understanding different stakeholders' use and interpretation of circularity metrics and indicators, identifying common data gaps and data quality challenges, and assessing the robustness of available solutions. The workshop series brought a diverse group of stakeholders - including representatives from U.S. government offices, national labs, nonprofit organizations, industry, and academia - to collect first-hand feedback on needs, priorities, challenges and opportunities in the circularity modeling and analysis space. The workshop discussions highlighted numerous common needs, priorities and challenges among the interviewed groups. Several topics were frequently discussed, including: 1) Circularity as a pathway for sustainable economic growth: While circularity is generally defined in terms of resource conservation and reducing wasteful disposal of materials, participants agreed that circular strategies should serve broader economic, environmental, and social goals. It is therefore crucial for circularity analysis to look beyond waste reduction and instead evaluate a variety of impact metrics such as cost savings, job creation, air quality, and pollutant emissions. Mutli-criteria decision-making frameworks may be useful for making sense of disparate metrics and evaluating tradeoffs between impact categories.; 2) Economic and social factors are not well understood: Underdevelopment of existing end-of-life (EOL) management infrastructure, inconsistent standardization codes and policy space in reusing recycled content, and suboptimal collection and sorting strategies collectively contribute to uncertainty about the economic potential of circular pathways. The latter observation is consistent among all technologies but more emphasized for renewable energy systems. Social impacts of circularity practices are less understood and less researched than other sustainability aspects.; 3) Inconsistent methods for assessing emerging technologies: LCA and TEA results vary widely depending on the assumptions made with regards to market adoption of new technologies. Emerging technologies suffer limited availability of data needed to conduct a robust circularity analysis. Yet, understanding projected impacts of proposed nascent technology is a key need for different stakeholder groups.; and 4) Lack of temporally and geospatially explicit data: There is a need for open data that represents variations in circularity technologies over time and location. The lack thereof leads to aggregated and potentially misrepresented results in circularity analysis. Sensitivity analyses should be included to verify whether options perceived as more sustainable align with real-world practices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ORNL Analysis of Leach-Burn-Leach Round-Robin Test Samples

An international round-robin test to examine the consistency in leach-burn-leach (LBL) analysis of tristructural-isotropic- (TRISO-) coated particle fuel was conducted by three research organizations from the Generation IV International Forum member countries of the People’s Republic of China, the Republic of Korea, and the United States of America. Two sets of round-robin test samples were exchanged for analysis. One set of samples consisted of a series of nonuranium-bearing, TRISO-coated zirconium dioxide particles seeded with up to four depleted uranium-bearing, TRISO-coated uranium dioxide (UO 2 ) particles, which had intentionally damaged coating layers to simulate either particles with either exposed-kernel defects (i.e., particles with a cracked TRISO coating that should be detected during preburn leaching) or particles with silicon carbide (SiC) defects (i.e., particles with an intact pyrocarbon coating and a hole in the SiC layer that should be detected during postburn leaching). These simulated samples also contained added powder with known quantities of impurities from a coal standard. The other sample set consisted of representative sublots of UO 2 -TRISO particles fabricated in a production-scale coater, except they all contained depleted uranium instead of enriched uranium. In this report, the methodology used at Oak Ridge National Laboratory to conduct LBL analysis of the round-robin samples is presented, and the general results are summarized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Corrosion Testing of Refractory inContact with Molten Glasses Designed for Waste Vitrification - VSL Touchpoint Matrix Glasses

It is known that the predictive life of the refractory ceramic liner of nuclear waste glass melters is conservative, as demonstrated by performance of these materials such as in the Defense Waste Processing Facility (DWPF). The motivation for this task is to maximize the useful life of the melters that will be operated at the Waste Treatment and Immobilization Plant (WTP), which will in turn minimize procurement and disposal costs and melter outage times, as well as to identify maximum loadings in the waste glass of those species that corrode melter components. This task was initiated jointly with Pacific Northwest National Laboratory (PNNL) with the objective to develop a methodology and model to enable more accurate prediction of refractory service life under prototypic conditions from laboratory-scale material corrosion tests. Refractory corrosion is generally reported as physical material loss, measured in units of distance (e.g., inch) or as physical material loss rate, measured in units of distance per time (e.g., inch/day). In post-operational melters, the refractory corrosion is measured directly, sometimes reported as corrosion depth. Crucible tests are used in the laboratory to accelerate the refractory corrosion to facilitate a meaningful measurement in a commensurate amount of time. Crucible tests are particularly useful in understanding refractory corrosion across a large glass composition space, where operational testing would be prohibitive. Some of the critical parameters that are known to influence refractory corrosion by molten glass in a crucible test are temperature, system redox, molten salt phases, glass chemistry, and test duration. The majority of data collected for Monofrax® K-3 (hereafter referred to as K-3) corrosion is from crucible tests, but a small amount comes directly from scaled and production melters. Crucible test data has been collected under varying conditions, whereas data collected from operational melters is relatively fewer and represents conditions specific to the melter campaign. The result is that the published data can be grouped and analyzed in multiple ways, not all of which are readily comparable. The Standard Test Method for Isothermal Corrosion Resistance of Refractories to Molten Glass (ASTM C621) outlines the general guidelines used across industry. That method describes a sealed, static test in which the surface area of the refractory coupon and the volume of glass are fixed. A significant portion of the crucible data pertaining to nuclear waste glasses has been collected in a modified configuration; the most notable differences being the surface area of the refractory coupon to volume of the glass and use of a method for bubbling the melt. To our knowledge, the influence of those parameters on the refractory corrosion has not been quantified. In this work, it was determined that static tests and bubbled tests would be performed. Savannah River National Laboratory (SRNL) was tasked with setting up and performing static testing while PNNL was tasked with setting up and performing bubbled testing. Initial activities were performed to establish laboratory methods that reproduce data comparable to existing data sets of K-3 refractory corrosion by low activity waste (LAW) and high-level waste (HLW) glass compositions. Later activities were focused on refining the test parameters to establish a standard test practice to be used between Laboratories and collecting additional data to be used in the enhanced waste glass model development. This document serves primarily to convey the refractory loss measurement results from corrosion testing of K-3 refractory with waste glass compositions developed for use in the WTP melters. The data will be used in the enhanced property/composition models being developed for waste glass vitrification and melter operations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A universal method to compare parts from STEP files

Abstract Model Based Definition (MBD) captures the complete specification of a part in digital form and leverages (at least) the universal “Standard for the Exchange of Product” (STEP) file format. MBD has revolutionized manufacturing due to time and cost savings associated with containing all engineering data within a single digital source. This work presents a novel method to transform digital definitions in any given STEP file into a tensor-like structure that is unique for each part and can be used to regenerate the original STEP file completely. Resulting STEP tensors are amenable to part comparison based on various part specifications in a general and straightforward manner. Here, part similarity is evaluated among sets of parts according to specific geometry, material composition, and design intent. Importantly, specification similarity can be quantified using only the tensors’ structure. As such, this approach is not limited to families of geometric shapes, part types, or fabrication methods; nor does it require any prior knowledge about the parts being compared.

36 MATERIALS SCIENCE↗

Artificial intelligence based analysis of nanoindentation load–displacement data using a genetic algorithm

In this work, we developed an automated tool, Nanoindentation Neo package for the analysis of nanoindentation load–displacement curves using a Genetic Algorithm (GA) applied to the Oliver-Pharr method (Oliver et al.,1992). For some materials, such as polycrystalline isotropic graphites, Least Squares Fitting (LSF) of the unload curve can produce unrealistic fit parameters. These graphites exhibit sharply peaked unloading curves not easily fit using the LSF, which tends to overestimate the indenter tip geometry parameter. To tackle this problem, we extended our general materials characterization tool Neo for EXAFS analysis (Terry et al., 2021) to fit nanoindentation data. Nanoindentation Neo automatically processes and analyzes nanoindentation data with minimal user input while producing meaningful fit parameters. GA, a robust metaheuristic method, begins with a population of temporary solutions using model parameters called chromosomes; from these we evaluate a fitness value for each solution, and select the best solutions to mix with random solutions producing the next generation. A mutation operator then modifies existing solutions by random perturbations, and the optimal solution is selected. We tested the GA method using Silica and Al reference standards. We fit samples of graphite and a high entropy alloy (HEA) consisting of BCC and FCC phases.

42 ENGINEERING↗

Lattice Structure and Dynamics of Sparse Molecular Crystals: OsO 4 and RuO 4

OsO 4 and RuO 4 are molecular oxides with unique tetrameric structures and rare +8 oxidation states. Accurately modeling their properties remains challenging for density functional theory (DFT) due to weak intertetramer interactions, which standard functionals fail to capture. Here, in this work, we show that the van der Waals (vdW)-corrected density functional (vdW-DF-optB86b) provides structural parameters that are much closer to experimental values than the standard generalized gradient approximation, with volume predictions that fall within the experimentally observed range. Phonon band structure analysis shows that the inclusion of vdW interactions stabilizes soft phonon modes, highlighting the importance of dispersion corrections for accurate predictions of lattice dynamics. Experimental measurements of the phonon density of states for OsO 4 , obtained via inelastic neutron scattering, demonstrate good agreement with our vdW-DF-optB86b calculations. These results validate OsO 4 and RuO 4 as valuable benchmarks for structural and vibrational calculations via vdW-corrected DFT methods and offer insights for studying the broader class of sparse molecular materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gauge invariance of light-matter interactions in first-principle tight-binding models

In this work, we study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential. In finite systems a transformation to represent the electromagnetic radiation by the electric field instead is possible, albeit subtleties arise in periodic systems. The resulting dipole gauge is a multi-orbital generalization of the Peierls substitution. In this work we investigate the accuracy for both pathways, with particular emphasis on gauge invariance, for TB models constructed from maximally localized Wannier functions. This approach accurately captures the light-matter interaction close to the Fermi level. Focusing on paradigmatic two-dimensional materials, we construct first-principle models and calculate the response to electromagnetic fields in linear response and for strong excitations. Benchmarks against fully converged first-principle calculations allow for ascertaining the accuracy of the TB models. We find that the dipole gauge provides a more accurate description than the velocity gauge in all cases. The main deficiency of the velocity gauge is an imperfect cancellation of paramagnetic and diamagnetic current. Formulating a corresponding sum rule however provides a way to explicitly enforce this cancellation. This procedure corrects the TB models in the velocity gauge, yielding excellent agreement with dipole gauge and thus restoring gauge invariance.

2-dimensional systems↗

Accelerated Fuel Qualification of Fast Modular Reactor Fuel in a Thermal Reactor: Modeling and Simulation Paired with Irradiation Testing

The accelerated fuel qualification (AFQ) methodology is applied by simulating accelerated fuel tests of the General Atomics Electromagnetic Systems’ fuel system for its 44-MW(electric) gas-cooled, fast-spectrum fast modular reactor (FMR). This fuel is comprised of UO 2 pellets in SiGA® cladding, a silicon carbide ceramic matrix composite. Fast reactors, like the FMR, offer many benefits, including high fuel utilization and flexibility, but may require a lengthy material design process if tests are performed using fast neutron irradiation alone. A thermal neutron irradiation can instead be used to rapidly test how well key components of the current material models extend to high burnup. Thermal neutrons produce a different radial power distribution within the pin than fast neutrons. However, the temperature and burnup values for the two neutron types are comparable, and the differences between the simulated fuel responses are relatively small, demonstrating the weak sensitivity of the physics-based fuel model calculations on the neutron type and the irradiation rate. Furthermore, the deformation of the SiGA cladding saturates after about 1 displacement per atom for both neutron spectra. In an accelerated fuel test, the irradiation time required to reach the target fuel burnup can be reduced by a factor of 3 by using a small rodlet with a 45% smaller pellet diameter while maintaining the same linear power. Therefore, the time for data collection up to high burnup can be significantly reduced while maintaining the same temperature profile, which largely determines the material response. Tests of fuel rodlets of standard and compact size will be carried out in the Idaho National Laboratory’s Advanced Test Reactor (ATR), including full size and compact rodlets with varying gap sizes. By applying physics-based mechanistic modeling and simulation in accordance with the AFQ methodology, this type of compact rodlet testing in a thermal test reactor captures the necessary phenomena to test fuel material models up to high burnup and to simulate the expected impact of fast neutron radiation on the fuel in FMR operations. Finally, this approach to testing fast reactor fuels in existing thermal test reactors, paired with advanced physics-based mechanistic modeling and simulation, is expected to be applicable to a range of advanced fuels and will decrease the overall fuel qualification timeframe from decades to years.

Advanced test reactor (ATR)↗

Continued Testing and Modeling of the AirSquared All-Metal Tritium Scroll Pump

The implementation of fusion energy requires the processing of the deuterium-tritium mixture used to fuel the reaction. Many gas processing operations require either a gas-motive force or a pressure gradient across a system; both are achieved using vacuum pumps. However, because of the material challenges of working with tritium, specialized pumps are required that use only metal on wetted surfaces. This prevents tritium retention and degradation of materials such as oils and polymers and reduces the generation of tritiated waste. Typical gas handling systems for tritium operations involve metal bellows pumps, all-metal scroll pumps, and metal turbomolecular pumps, depending on the pressure requirements. With the industry standard Normetex Type 15 m 3 /h (typically referred to as the Normetex 15) pump no longer available, the fusion market requires viable alternatives. In this study, we test an American-made pump, the AirSquared V16H034A-C01, and compare its performance to the Normetex. A performance model of the AirSquared pump is also produced, which can be applied to general process models to generate an accurate description of pressures and flows through various unit operations.

08 HYDROGEN↗

Imaging the spin chirality of ferrimagnetic Néel skyrmions stabilized on topological antiferromagnetic Mn 3 Sn

Néel skyrmions are generally realized in asymmetric multilayers made of heavy metals (HMs) and ultrathin ferromagnets possessing strong interfacial Dzyaloshinskii-Moriya interactions (iDMIs). Depending on the relative strengths of iDMIs at the interfaces, various types of Néel skyrmions have been suggested, which are typified with characteristically different topological properties and current-driven dynamics. This suggests the importance of a precise quantification of their spin chiralities. In this paper, we explore the possibility of realizing Néel skyrmions in magnetic multilayers without the direct usage of standard HMs. Specifically, through depositing a thin layer of ferrimagnetic (FIM) CoTb layer on top of an antiferromagnetic (AFM) quantum material of composition Mn 3 Sn, the AFM exchange interaction at the asymmetric interface provides an equivalent iDMI for stabilizing FIM Néel skyrmions. Secondly, through using advanced four-dimensional Lorentz scanning transmission electron microscopy (4D LSTEM), in combination with x-ray magnetic circular dichroism photoemission electron microscopy (XMCD-PEEM), we can directly determine the spin chirality of FIM Néel skyrmions. Finally, the present findings not only broaden the phase space for chiral interfacial magnetism but also provide a possibility for future applications of heavy-metal-free skyrmionic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of ingested nanocellulose on intestinal microbiota and homeostasis in Wistar Han rats

Micron scale crystalline and fibrillar cellulose materials are “generally regarded as safe” (GRAS) as binders and thickeners in food products. Yet, partly due to a lack of relevant toxicological data, nanocellulose (NC) materials, which have unique properties that can be exploited to improve food quality and safety, have yet to receive FDA approval as food ingredients. Results of in vitro and in vivo toxicological studies of ingested NC, detailed in a recent companion report, revealed minimal acute in vitro cytotoxicity, and no toxicity in a subacute rat gavage model, suggesting that NC materials are non-hazardous. However, ingested materials may also modulate gut microbial populations, or alter aspects of intestinal function not evaluated in standard totoxicity testing, which could have important health implications. Here, we report the results of studies of the effects of ingested cellulose nanofibrils (CNF) on the fecal microbiome and metabolome, intestinal (ileal) epithelial cell mRNA expression of cell junction genes, and ileal cytokine production. Feces, plasma, and ileum samples were collected from Wistar Han rats before and after five weeks of biweekly gavages of water or cream, with or without 1% w/w CNF. Analysis of fecal microbial populations revealed that CNF caused changes in both genus and species diversity, with specific effects on species that produce short chain fatty acids, and that have been associated with increased IgA production and elevation of insulin levels. Fecal metabolomic analysis revealed relatively few effects of CNF, with significant changes in the levels of only ten metabolites out of 366 measured. Exposure to CNF also caused differential regulation of mRNA expression of several genes involved in epithelial cell junctions, and increased production of cytokines that both promote and inhibit proliferation of CD8 T cells. These perturbations in intestinal homeostasis contrast somewhat with the absence of in vitro and in vivo toxicity observed previously but would appear to represent minor effects. Additionally, the gut microbiome is highly sensitive to ingested substances, and such disturbances of the intestinal microbial ecosystem do not necessarily represent or predict meaningful pathology. Further studies, including chronic feeding studies, are needed to assess the real health implications, if any, of these changes.

59 BASIC BIOLOGICAL SCIENCES↗

316L Stainless Steel Wire Arc Additive Manufacturing and Characterization for Potential SNF Canister Production

In this paper, 316L stainless steel (316L SS) straight walls, curved walls, and vessels were printed by wire arc additive manufacturing (WAAM) using the 316L SS welding wire, to demonstrate the feasibility of spent nuclear fuel (SNF) canisters using this advanced manufacturing technique. Helium leak test with leak tight criteria of 1 × 10-7 ref-cc/s were performed on printed vessels with various wall thickness, and testing pressures were from 0.345 MPa (50 psi) to 1.724 MPa (250 psi). Printed wall microstructures were characterized using optical microscopy (OM) and scanning electron microscopy (SEM). Tensile specimens were machined out from printed walls along the length, height, and thickness directions, respectively, and tested at different temperature conditions, room temperature, 80 °C, 150 °C and 250 °C, respectively. Results showed t hat, all five WAAM-printed canisters with different thickness passed the helium leaktight criteria of radioactive materials containers by the ANSI N14.5; Dispersed micrometer-level size inclusions/voids were observed at printed wall cross sections, dendritic microstructures were found with grain size variation through the welding torch shifting direction, and very small amount of δ-ferrite and σ-phase were also observed in those cross sections; The printed walls were ductile, all tensile specimens broke with large plastic deformation/elongation and without brittle failure, and printed specimens yield strengths and tensile strengths under room temperature and 80 °C conditions are higher than minimum values of 316L SS for pressure vessels and for general applications at room temperature required by the ASTM standard, respectively.

Tang, Wei↗

Promoting regulatory acceptance of combined ion and neutron irradiation testing of nuclear reactor materials: Modeling and software considerations

As the needs for the nuclear energy industry continue to evolve in the 21st century, timely adoption of new technological solutions acceptable to regulatory agencies is critical. Quantitative prediction of radiation damage in materials and its impact on mechanical properties is a key component of licensing and regulatory decisions regarding nuclear power plants. Accelerated testing methodologies such as combined ion and neutron irradiation data sets are crucial for the development and deployment of new materials and new manufacturing methods (e.g., additive manufacturing). However, regulatory acceptance of accelerated testing methodologies is necessary for their adoption. Further, the present work discusses the fundamental basis for comparing ion- and neutron-induced material microstructures, the theory behind interpreting radiation damage across length and time scales and radiation types, and the codes, standards, and quality assurance concerns surrounding different modeling methods and software. In particular, recommendations are given as to the path forward that will enable national laboratories, academia, and industry to develop the modeling and software basis for regulatory acceptance of the combined use of ion and neutron irradiation for material performance evaluation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PBE-GGA predicts the B8↔B2 phase boundary of FeO at Earth’s core conditions

FeO is a crucial component of the Earth’s core, and its thermodynamic properties are essential to developing more accurate core models. It is also a notorious correlated insulator in the NaCl-type (B1) phase at ambient conditions. It undergoes two polymorphic transitions at 300 K before it becomes metallic in the NiAs-type (B8) structure at ~100 GPa. Although its phase diagram is not fully mapped, it is well established that the B8 phase transforms to the CsCl-type (B2) phase at core pressures and temperatures. Here, we report a successful ab initio calculation of the B8↔B2 phase boundary in FeO at Earth’s core pressures. We show that fully anharmonic free energies computed with the Perdew–Burke–Ernzerhof-generalized gradient approximation coupled with thermal electronic excitations reproduce the experimental phase boundary within uncertainties at P > 255 GPa, including the largely negative Clapeyron slope of –52 MPa/K. This study validates the applicability of a standard density functional theory functional to FeO under Earth’s core conditions and demonstrates the theoretical framework that enables complex predictive studies of this region.

58 GEOSCIENCES↗

Mechanical properties of Zircaloy cladding tubes and contributions to M.E.T.A. mechanical property database

To support a multi-laboratory Methodology, Evaluation, Testing, and Analysis (M.E.T.A.) cladding properties database, Oak Ridge National Laboratory’s (ORNL’s) cladding mechanical test geometries were manufactured from several nuclear-relevant cladding alloys and subsequently tested. These geometries were developed as mechanical test specimens to evaluate the properties of tube materials that may be used for irradiation testing at ORNL’s High Flux Isotope Reactor. They may also be used as test articles to be harvested—via in-cell machining—from commercially irradiated fuel rods and later tested. This report explores the differences among axial, hoop, and SSJ tensile geometries with partially recrystallized Zircaloy-2 to test ORNL correlation-based methods on a plate material that approximates, to the greatest extent possible, the characteristics of nuclear industry tubing. Furthermore, several tests were conducted with ORNL’s Zircaloy-4 tube inventory to (1) develop material properties as a standard for future tests, (2) determine the effect of the US Department of Energy’s Advanced Fuels Campaign coating processes on tube mechanical properties, and (3) evaluate the effect of specimen machining methods on the mechanical properties of tube geometries.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report

The Science of Scale-Up: Accelerating chemical manufacturing technology development workshop report outlines key insights and actionable recommendations for accelerating the scale-up of disruptive chemical manufacturing technologies. Convened in October 2024, the workshop brought together approximately fifty experts from academia, industry, national laboratories, and government agencies to address the barriers and solutions for maturing technologies from proof-of-concept to commercialization. The report identifies seven critical themes for enabling faster scale-up. These themes were explored through general discussions and breakout sessions focused on three specific chemical manufacturing technologies—electrochemical, thermochemical, and biological conversion processes. The findings emphasize the importance of interdisciplinary collaboration, robust funding mechanisms, and shared resources to overcome technical barriers and accelerate technology deployment. The report also highlights technology-specific challenges and opportunities, including the need for advanced materials, scalable manufacturing processes, and integrated testing environments. For electrochemical manufacturing processes, durability and material optimization are key priorities, while thermochemical processes require novel reactor designs and better supply chain integration. Biological conversion processes face hurdles in strain engineering, reactor design, and process integration. Across all technologies, the workshop emphasized the importance of leveraging computational tools, standardized protocols, and collaborative networks to address knowledge gaps and technical barriers. By acting on these insights, stakeholders can reduce the timeline for scaling up critical chemical manufacturing technologies, ensuring their timely impact on manufacturing competitiveness, and environmental sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Serpent - Bison - THM Preliminary Multiphysics Modeling of a Nuclear Thermal Propulsion System Fuel Assembly

This work demonstrates the Monte Carlo neutronic and Thermo-Hydraulic coupling scheme using the Serpent code and MOOSE application Bison and Thermo Hydraulic Module. The coupling scheme is then applied to the reference BWX Technologies Nuclear Ther- mal Propulsion system at he fuel assembly level where it’s used to perform an analysis of the isothermal material coefficients and potential material reactivity worth. A method is developed to isolate which feedback effects should be considered for proceeding with reduced order deterministic neutronic modeling where branch off analysis must be con- ducted. The convergence behavior of the coupling scheme is demonstrated where it fol- lows the standard Picard iteration approach. Verification studies for the method of deduc- ing relevant feedback effects is also demonstrated.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗