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DOE OSTI2024

High Temperature Mechanical Behavior of Refractory Alloys with Digital Image Correlation

Gas turbine efficiency is typically limited by the maximum allowable temperature for components at the inlet side and in the hot gas flow. Refractory alloys and SiC/SiC ceramic-matrix composites (CMCs) are promising candidates for advancing operating temperatures beyond those of Ni-based alloys (>1200 °C). Refractory alloys are more suitable than SiC/SiC CMCs for dynamic components, due to the latter's low toughness and ductility. However, it is well known that refractory alloys suffer from poor oxidation behavior under service lifetimes and conditions, leading to embrittlement concerns. The ARPA-E ULTIMATE program has set out to combine new alloys with advanced coatings to mitigate oxidation/embrittlement effects, while increasing the mechanical performance benefits of refractory materials. Low oxygen (inert gas) or vacuum systems are needed to assess high temperature mechanical performance of developed alloys. To investigate the environmental sensitivity of candidate alloys and develop high temperature testing capabilities, four argon tensile frames were upgraded as well as a single vacuum system at Oak Ridge National Laboratory. Digital image correlation was incorporated into the vacuum frame allowing for surface strain determination and refined insight into thermomechanical response. Creep testing was performed at 1300 °C on two alloys, C-103 and MHC in vacuum and high purity argon environments. The Mo-based alloy showed less sensitivity to oxygen, indicating that testing in well-controlled argon environments may be suitable. The C-103 alloy demonstrated a stronger sensitivity to oxygen in the well-controlled argon environment, illustrating the need for the developed vacuum testing capabilities. “Small” 25 mm and “large” 76 mm MHC specimens showed comparable results in terms of strain rate during creep testing and ultimate tensile strength during tensile testing, suggesting the viability of smaller geometries that use less material of advanced developmental alloys.

Bell, Sam↗

DOE OSTI2022

A quantitative and holistic circular economy assessment framework at the micro level

Circular Economy (CE) aims to solve resource, waste, and emission challenges by creating a production-to-consumption supply chain that is restorative and environmentally benign. A variety of metrics has been developed with the focus mainly on the macro and meso levels. This work introduces a micro level CE assessment framework that provides i) a set of indicators and metrics with sector-specific dimensions, ii) quantitative and holistic CE overall and category-based metrics, iii) media for data visualization and analysis of CE indicators, and iv) an analytical tool to assess multi-national businesses and the multi-scale and interconnected CE supply chains. Using this quantitative tool, companies are able to track their transition towards CE, conduct temporal analysis, and benchmark their performance against their peers and industry’s standards. The applicability and the capabilities of the developed CE assessment framework is demonstrated through three case studies, with the results demonstrating a clear trend towards circularity.

42 ENGINEERING↗

DOE OSTI2024

High Performance Heat Pipe Power Transient Testing at SPHERE Facility

Microreactors are being researched, designed, and built at Idaho National Laboratory (INL). Microreactors are small reactors defined at less than 20MW of power. These reactor concepts are also being looked at throughout industry for various applications. An important aspect of these reactor designs is economic feasibility i.e. lower overnight capital cost. The driving factors for implementing microreactors are quick setup and takedown, minimal operators, and the ability to manufacture them readily and to fit in mid-sized containers for transport. A specific area of research to aid in successful integration of these factors within the designs is passive heat removal of the core’s thermal power. Interest in heat pipes to achieve this passive heat removal has been shown across multiple industry partners. Because of this interest, INL has developed a test facility to facilitate experimental tests for sodium filled heat pipes. INL has developed the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility to run experiments on high performance, sodium filled heat pipes. As mentioned above, heat pipes are passive heat transfer devices. Radially, heat pipes are broken up into an outer wall, a small annular gap, a wick structure, and a centerline gap. They function by utilizing latent heat transfer. Heat pipes are traditionally separated into three regions, an evaporator (heat input), an adiabatic region, and finally a condenser region (heat removal). As heat is being applied to the evaporator, the working fluid undergoes a phase change to a vapor. This phase change causes a differential pressure across the axial length of the pipe driving flow down the center gap of the heat pipe. The vapor flows down past the adiabatic region to the condenser where the heat is removed. This heat removal forces the working fluid to phase change back to a liquid. The wick structure is then utilized to drive the flow back towards the evaporator by capillary forces. This backflow is aided by the annular gap. Because this heat transfer mechanism functions with latent heat transfer, the heat pipe is close to isothermal down the axial length. Heat pipes can operate under a wide range of working fluids. Considerations for these working fluids are primarily driven by operating temperatures amongst other important factors based around overall performance. Sodium filled heat pipes operate from 450°C up to 900°C. This temperature range works well for the current microreactor designs. In conjunction with this experimental capability, INL has developed a modeling software to simulate heat pipe physics within reactor cores. This modeling software is called Sockeye and functions under the established INL Multiphysics Object Oriented Simulation Environment (MOOSE). SPHERE also supports Sockeye development by providing the modeling team with experimental data on an array of setups and operating parameters to support validation efforts. A power transient experiment was performed utilizing the SPHERE facility to continue to aid with Sockeye development. The testing followed a proposed test plan to ramp up and down the temperature of the heat pipe. Sockeye models steady state heat pipe operation with high accuracy, the data provided by the power transient testing aims to assist with the validation efforts and further enhance transient modeling capability of the tool [2].

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Machine learning interatomic potential for predicting the thermal properties of uranium nitride

We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic potential (MLIP) using the moment tensor potential framework. The MLIP was trained on density functional theory (DFT) data and validated against various quantities including energies, forces, elastic constants, phonon dispersion, and defect formation energies, achieving excellent agreement with DFT calculations, prior experimental results, and our thermal conductivity measurement. The potential was then employed in molecular dynamics simulations to predict key thermal properties such as melting point, thermal expansion, specific heat, and lattice thermal conductivity. To further assess model accuracy, we fabricated a UN sample and performed new thermal conductivity measurements representative of single-crystal properties, which showed strong agreement with the MLIP predictions. This work confirms the reliability and predictive capability of the developed potential for determining the thermal properties of UN.

36 - MATERIALS SCIENCE↗

DOE OSTI2022

GDSA Framework Development and Process Model Integration FY2022

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is disposal system modeling (Sassani et al. 2021). The SFWST Geologic Disposal Safety Assessment (GDSA) work package is charged with developing a disposal system modeling and analysis capability for evaluating generic disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2022 advances of the Geologic Disposal Safety Assessment (GDSA) performance assessment (PA) development groups of the SFWST Campaign. The common mission of these groups is to develop a geologic disposal system modeling capability for nuclear waste that can be used to assess probabilistically the performance of generic disposal options and generic sites. The modeling capability under development is called GDSA Framework (pa.sandia.gov). GDSA Framework is a coordinated set of codes and databases designed for probabilistically simulating the release and transport of disposed radionuclides from a repository to the biosphere for post-closure performance assessment. Primary components of GDSA Framework include PFLOTRAN to simulate the major features, events, and processes (FEPs) over time, Dakota to propagate uncertainty and analyze sensitivities, meshing codes to define the domain, and various other software for rendering properties, processing data, and visualizing results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Detection of trace contaminants released from rapidly heated pulsed power electrodes by laser diagnostics

Development of a capability to measure trace gas contaminants released from pulsed power electrodes would immediately impact Sandia pulsed power research. These releases occur during ultra-fast heating of metal electrodes during pulsed power discharges and can lead to substantial power losses through plasma formation. Detection of contaminants is a formidable challenge due to the need for in-situ spatially and temporally resolved measurements of trace gases in the extreme environment of ultra-fast heated metal surfaces. We investigate the feasibility of laser diagnostics for detecting contaminants, including H-atom, OH, and H 2 O. Laser-induced fluorescence and photofragmentation fluorescence showed significant plasma emission interferences and did not yield any detectable H-atom, OH, or H 2 O. Our newly developed H-atom detection using femtosecond degenerate four-wave mixing suppressed interferences and enabled detection of H-atoms. A few shots showed large signals in the near-surface region of metal foils, suggesting the formation of a wave of H-atoms from the metal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Microstructure-dependent rate theory model of defect segregation and phase stability in irradiated polycrystalline LiAlO 2

We report gamma lithium aluminate (LiAlO 2 ) is a breeder material for tritium and is one of key components in a tritium-producing burnable absorber rod (TPBAR). Dissolution and precipitation of second phases such as LiAl 5 O 8 and voids are observed in irradiated LiAlO 2 . Such microstructure changes cause the degradation of thermomechanical properties of LiAlO 2 and affect tritium retention and release kinetics, and hence, the TPBAR performance. In this work, a microstructure-dependent model of radiation-induced segregation (RIS) has been developed for investigating the accumulation of species and phase stability in polycrystalline LiAlO 2 structures under irradiation. Three sublattices (i.e. [Li, Al, V] I [O, V o ] II [Li i , Al i , O i , V i ] III ), and concentrations of six diffusive species (i.e. Li; vacancy of Li or Al at [Li, Al, V] I sublattice, O vacancy at [O, V o ] II sublattice, and Li, Al and O interstitials at [Li i , Al i , O i , V i ] III interstitial sublattices; are used to describe spatial and temporal distributions of defects and chemistry. Microstructure-dependent thermodynamic and kinetic properties including the generation, reaction, and chemical potentials of defects and defect mobility are taken into account in the model. The parametric studies demonstrated the capability of the developed RIS model to assess the effect of thermodynamic and kinetic properties of defects on the segregation and depletion of species in polycrystalline structures and to explain the phase stability observed in irradiated LiAlO 2 samples. The developed RIS model will be extended to study the precipitation of LiAl 5 O 8 and voids and tritium retention by integrating the phase-field method.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Singlet Fission in a para -Azaquinodimethane-Based Quinoidal Conjugated Polymer

The exploitation of singlet fission (SF) in photovoltaic devices is restricted by the limited number of SF materials available and the conflicting requirement of intermolecular interactions to satisfy both efficient SF and subsequent triplet extraction. Intramolecular SF (iSF) represents an emerging alternative and may prove simpler to implement in devices. Here, on account of the excellent chemical structure tunability and solution processability, conjugated polymers have emerged as promising candidates for iSF materials despite being largely underexplored. It remains a significant challenge to develop SF-capable conjugated polymers and achieve efficient dissociation of the formed triplet pairs simultaneously. In this contribution, we present a new iSF material in a para-azaquinodimethane-based quinoidal conjugated polymer. Using transient optical techniques, we show that an ultrafast iSF process dominates the deactivation of the excited state in such polymer, featuring ultrafast population (<1 ps) and stepwise dissociation of triplet pairs. Notably, these multiexciton states could further diffuse apart to produce long-lived free triplets (tens of μs) in strongly coupled aggregates in solid thin film. Such findings not only introduce a new iSF-active conjugated polymer to the rare SF material family but also shed unique insight into interchain interaction-promoted triplet pair dissociation in aggregates of conjugated polymers, thus openning new avenues for developing next-generation SF-based photovoltaic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Experimental investigation of unsteady flow dynamics in therminol-66 using edge tone-induced oscillations

Recent research has demonstrated that flow oscillations induced by a wedge positioned opposite the jet outlet in edge tones can be effectively utilized for flow measurement purposes. This highlights the necessity for developing advanced instrumentation capable of precise flow measurements in experimental setups exposed to radiation and in challenging fluids such as molten salts. Here, this study contributes to the existing body of knowledge by conducting experiments using Therminol-66, an effective surrogate for FLiBe under appropriate temperature conditions for nuclear applications, across a broad range of Reynolds numbers from 17,700 to 555,000. Experiments were conducted with Therminol-66 at approximately 368.8 K under atmospheric pressure, with varying flow rates. A reliable correlation was established between the generated frequencies, corresponding flow rates, and device geometry parameters. The data were subjected to non-dimensional analysis to reveal the interrelationships among flow rate, fluid properties, device geometry, and their impact on the acoustic tones produced by the edge tone device. These findings contribute to the development of precise flow measurement instrumentation for use in challenging environments.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2025

State of the Art in Thermal Catalytic Upgrading of Biomass and Biomass-Derived Intermediates

Biomass-derived energy sources represent a promising domestic route for fuel and chemical production, taking advantage of largely underutilized biological and waste resources. Heterogeneous catalysis plays a key role in these biomass conversion processes, as reflected by all American Society for Testing and Materials–approved pathways for producing sustainable aviation fuel proceeding through a catalytic step. This concise review seeks to establish the state of the art in thermal catalytic process development for various biomass-derived feedstocks and the current enabling capabilities that aid this development. Research needs are identified and described throughout the article, as further advancements in heterogeneous catalysis are required to improve the affordability and realize the full potential of biomass-derived products.

09 BIOMASS FUELS↗

DOE OSTI2024

Lifetime Energy Savings Via Advanced Manufacturing of Low Density Steels for Transportation Applications

The purpose of this “Low Density Steels for Transportation Applications” project was to develop an alloy composition and processing parameters that would result in a material suitable for use in automotive structural components at a reduced density over the current advanced high strength steel (AHSS) materials used. The project work successfully developed a robust alloy capable of exceeding project mechanical property targets at each stage of development, with an 8% density reduction over benchmark AHSS materials (7.8 g/cm3). The developed alloy has the potential to offer significant vehicle lightweighting and improved fuel economy, without sacrificing the increased passenger safety of more traditional AHSS. Through the three tasks of the project, (1) Alloy design and small-scale laboratory evaluation, (2) Laboratory development of hot rolled material and (3) Laboratory development of a cold rolled material, the laboratory work utilized advanced characterization and analytical methods on novel alloy compositions subjected to both conventional and non-conventional processing operations.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Advancing Superconducting Magnet Diagnostics for Future Colliders

Future colliders will operate at increasingly high magnetic fields pushing limits of electromagnetic and mechanical stress on the conductor [1]. Understanding factors affecting superconducting (SC) magnet performance in challenging conditions of high mechanical stress and cryogenic temperatures is only possible with the use of advanced magnet diagnostics. Diagnostics provide a unique observation window into mechanical and electromagnetic processes associated with magnet operation, and give essential feedback to magnet design, simulations and material research activities. Development of novel diagnostic capabilities is therefore an integral part of next-generation magnet development. In this paper, we summarize diagnostics development needs from a prospective of the US Magnet Development Program (MDP), and define main research directions that could shape this field in the near future.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Determination of the structure of lithium niobosilicate glasses by molecular dynamics simulation with a new Nb-O potential

A partial charge empirical potential for the Nb-O pair has been developed based on existing parameters of other pairs in a Teter potential to enable molecular dynamics simulations of both lithium niobate crystal and lithium niobosilicate glasses. The developed potential is capable of describing structural features of lithium niobosilicate glasses in a wide composition range, including niobium coordination number and bond length, density, bond angle distribution, polyhedral distribution and fraction of bridging oxygen. Furthermore, the results obtained using this new potential show good agreement with experimental data of density and structure from Raman spectroscopy of lithium niobosilicate glasses and X-ray absorption spectroscopy near Nb K-edge.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Retractable Sensors for In-Core Use in Material Test Reactors - conf paper

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 - 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on friction drive wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 - 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology's MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Retractable Sensors for In-Core Service in Material Test Reactors

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 - 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on counter-rotating wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 - 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology's MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Retractable Sensors for In-Core Service in Material Test Reactors

Material Test Reactors (MTRs) such as the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) are used to irradiate nuclear fuels and materials to evaluate their performance after high levels of exposure to a reactor in-core environment. The most critical tests are equipped with instrumentation leads, which allow real-time data collection. However, because of the very harsh environment inside high-power MTR experiments, there are very few sensors that can survive and maintain their calibrated readings for the time periods required to obtain the high neutron doses needed for new fuels and materials qualification. As a result, sometimes sponsoring programs are forced to accept low reliability of sensors, collecting useful data for only part of the experiment duration. The work described herein is based on the observation that MTRs normally run at constant power and the corresponding conditions within reactor experiments typically evolve relatively slowly. Therefore, even one or two measurements per day would provide a complete and representative data set. With this in mind, INL has embarked on a program to develop a mechanism capable of pushing a very small-diameter sensor (typically a thermocouple or optical fiber) into the location to be measured, leave the sensor for roughly 60 seconds to allow it to reach equilibrium and transmit the signal, then pull it up and away from the high neutron flux and high-temperature region. Small-diameter capillary tubes, up to 8 m long, are used to guide the sensors to the appropriate locations. These capillary tubes serve as essentially very deep, thin-walled thermowells. The distance a thermocouple or optical fiber would need to traverse is on the order of 40 – 80 cm. By adopting this infrequent cycling strategy, the thermocouple or optical fiber would spend only a few hours in the high-neutron flux/high-temperature environment over the duration of even the longest irradiation experiment. To date, INL has developed two styles of drive mechanisms. The first is based on counter-rotating wheels which drive the sensors in a manner similar to a small MIG welder. This has the advantage of being able to accommodate a very long insertion length. The second is based on a ball screw drive and has the advantages of positive attachment and being able to move more than one sensor at a time. Both drive mechanisms have been fabricated and tested in a laboratory setting. Both systems can handle hard mineral insulated cable (such as thermocouples) or optical fibers encased in small diameter tube. The sizes tested to date are 1 – 1.6 mm diameter. Work in this area is ongoing with an eye toward demonstration in the Massachusetts Institute of Technology’s MITR reactor, followed by deployment in an ATR irradiation experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

PQML: Enabling the Predictive Reproducibility on NISQ Machines for Quantum ML Applications

Quantum computing represents a groundbreaking approach to high-performance computing. In recent years, quantum computers have progressed from single-qubit processors to systems boasting over 400 qubits. The presence of such a large number of qubits offers significant advantages, including enhanced computational speed—a capability beyond classical computing methods. However, the current stage of quantum computing is referred to as the noisy intermediate-scale quantum (NISQ) era. The existence of noise in this era presents challenges in testing quantum computing applications, leading to considerable variance in application results. Furthermore, the diverse noise characteristics observed across different machines exacerbate this issue, complicating the selection of the appropriate machine for application execution. In response to these challenges, we introduce our Predictive Quantum Machine Learning (PQML) tool. This tool is designed to predict outcomes when executing identical quantum machine learning applications—specifically, a critical suite of variational quantum algorithms—across various quantum computers during the NISQ era. This effort relies on data collected over a 12-month period. To the best of our knowledge, this study represents the first attempt to ensure reproducibility across quantum computers for complex circuits. Additionally, we have developed a model capable of forecasting the accuracy of quantum computers for variational quantum algorithms, with a particular emphasis on quantum machine learning as a case study.

Senapati, Priyabrata [Kent State University]↗

DOE OSTI2025

Thermomechanics coupling to Monte Carlo particle transport on unstructured mesh geometries using Cardinal

Geometry deformation due to thermal expansion influences neutron transport in many systems. Studying this phenomenon involves coupling models for neutronics, thermal hydraulics, and solid mechanics. To enable high fidelity modeling of these coupled physics, new capabilities were introduced in Cardinal, coupling OpenMC Monte Carlo particle transport models with MOOSE thermomechanical physics on unstructured moving-mesh geometries. In this work, we present a fully open-source capability leveraging on-the-fly mesh skinning to automatically regenerate OpenMC geometry, which allows multiphysics feedback from temperature, density, and geometry changes. The new capability is verified using an analytic benchmark slab problem, which couples S 2 neutron transport with thermal conduction, convective boundary conditions, Doppler-broadened cross sections, and nonlinear thermal expansion effects along the heated slab. Cardinal reproduces the analytic solutions for the neutron flux, heating, k eff , and temperature with demonstrated convergence in various error terms including mesh resolution and cross section temperature library spacing. For the nominal benchmark conditions and with a fine mesh, maximum relative errors for neutron flux, temperature, and heating are lower than 1%, while errors in integral quantities such as k eff and slab length are within 1 pcm and 48 µm, respectively. This work (i) presents a new numerical approach to thermomechanics coupling with OpenMC models, (ii) is the first (to our knowledge) to utilize a mechanical partial differential equation (PDE) solution to solve the (Griesheimer and Kooreman, 2022) analytic benchmark, and (iii) develops this verified capability within an open-source package.

97 - MATHEMATICS AND COMPUTING↗