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NASA NTRS1992

Design of A CVD Reactor for the Deposition of Diamond in A Microgravity Environment

There is a growing body of theoretical and experimental evidence suggesting that the uniformity, rate, adhesion, quality, and other key properties of Chemical Vapor Deposition (CVD) diamond coatings are influenced by the gas mixing kinetics in the thermal plasma environment of the reaction chamber. The implementation of, for example, Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) process in microgravity has, thus, been suggested. Such a diamond deposition system, which overcomes the limitations of present systems and which is distiguishable from them by the use of high pressure MPECVD and recirculation of the would be effluent hydrogen and carbon, is described. Given the key fact that there is nothing in the effluent of the MPECVD process that is truly a byproduct or 'waste', the system can, at least in principle, lend itself to being closed loop yet dynamic. The exhaust contains hydrogen and carbon species which can be recirculated to the plasma reactor, that is, since there are no unusable reaction byproducts, the effluent can be fed back to the reaction chamber with no detriment, thus allowing deployment in a microgravity environment.

M L Languell↗

DOE OSTI2026

Electron-Deficient Phenazines: Synthesis, Structures, Redox, and Optoelectronic Properties in the Gas Phase, in Solution, and in the Solid State

High-temperature gas-phase reactions of 1,4-C4F8I2 with phenazine (PHNZ) afforded new thermally- and air-stable derivatives with cyclo-C4F8 substituents, viz. 1,2-PHNZ(C4F8), 2,3-PHNZ(C4F8), 1,2:6,7-PHNZ(C4F8)2, 1,2:7,8-PHNZ(C4F8)2, and 1,2:8,9-PHNZ(C4F8)2. Reactions in the presence of Cu powder resulted in reductive-defluorination/aromatization of some of the cyclo-C4F8 substituents to produce 2,3-PHNZ(C4F4), 2,3-PHNZ(C4HF3), and 1,2:6,7-PHNZ(C4F8)(C4F4), which are formally tri- or tetrafluoro derivatives of benzo[a]phenazine. Single-crystal X-ray diffraction structures of these compounds demonstrate the planarity of 2,3-PHNZ(C4F4) and 2,3-PHNZ(C4HF3) and ordered p-stacking in 1,2-PHNZ(C4HF3), 1,2-PHNZ(C4F4), 1,2-PHNZ(C4F8), and 2,3-PHNZ(C4F8). Low-temperature gas-phase photoelectron spectra of the PHNZ(C4F8)1,2 compounds show that they are strong electron acceptors, with the three PHNZ(C4F8)2 isomers having electron affinities exceeding that of C60. Cyclic voltammetry in acetonitrile show that the five PHNZ(C4F8)1,2 compounds exhibit reversible one-electron reductions with large positive shifts in their reduction potentials relative to unsubstituted PHNZ. Spectroelectrochemical absorption and EPR spectra of PHNZ(C4F8)1,2- • anion radicals and extensive DFT calculations revealed the significant role that the different substitution patterns have on determining the optoelectronic properties of the PHNZ(C4F8)1,2 derivatives and PHNZ(C4F8)1,2- • anion radicals. Time-resolved microwave conductivity measurements and photoluminescence spectra of blends of the PHNZ(C4F8)1,2 derivatives with the donor poly(3-hexylthiophene) (P3HT) were recorded to assess the possible use of the new compounds in optoelectronic devices.

Balser, Sebastian↗

DOE OSTI2026

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Development of Hydrogen Burner for FT4000® Aeroderivative Engine - Final Report

This report details an effort to develop a retrofittable fuel/air injector for the FT4000® aeroderivative gas turbine that enables use of hydrogen as a carbon-free fuel for efficient power generation. The FT4000 engine’s low-NOx combustor was developed by Pratt & Whitney and RTX Technology Research Center with core technology from the Pratt & Whitney PW4000 turbofan aircraft engine. The current FT4000 production engine operates on either natural gas or No. 2 fuel oil with water injection to achieve high thermal efficiency and low emissions. This engine is fielded by Mitsubishi Power Aero and delivers 70 MW of power with a simple-cycle efficiency of over 41% when operating with wet compression. The work reported here advances the technology readiness level of the FT4000 combustor for operation with hydrogen, starting with an experimental assessment of the current production hardware with increasing hydrogen content mixed with natural gas and ending with improved nozzle concepts for fully robust operation with 100% hydrogen. High-pressure single-sector combustor rig tests have been completed, demonstrating the ability for the dual fuel nozzle to operate an FT4000 combustor on 100% hydrogen with low nitrogen oxide (NOx) emissions. Metal temperature measurements and video images of the flame structure from zero to 100% hydrogen highlight opportunities to improve the fuel nozzle robustness for high hydrogen conditions. The design of new fuel/air mixer concepts to improve durability and operability with high hydrogen levels was also completed. A total of eleven new concepts were developed and analyzed, ranging from modifications to the bill-of-materials nozzle to fully clean sheet designs. The concepts were evaluated with non-reacting and reacting flow evaluations to assess the performance of the new hardware designs. Non-reacting tests included Phase Doppler Particle Analysis (PDPA) for droplet size and velocity, mechanical patternation for liquid water flux, and planar laser induced fluorescence (PLIF) with acetone-seeding for gaseous fuel/air mixing characterization. Five scaled candidate fuel nozzle designs, in addition to a scaled bill-of-materials nozzle, were then successfully evaluated in an atmospheric pressure burner rig. The nozzles were evaluated for performance with natural gas, hydrogen/natural gas blends, and pure hydrogen. For 100% hydrogen, the nozzles were evaluated with and without water injection. Optical and infrared imaging of the flame and fuel nozzle was captured. NOx emissions were sampled from fixed emissions probes. The results show measurable differences between the various designs, and the data was used to down-select the two most promising designs to advance to future full pressure rig testing. Results from this study have cleared the current production FT4000 engines with dual fuel nozzles to operate at baseload power on blends of hydrogen mixed with natural gas and water. Two promising nozzle designs have been developed to enable fully robust operation with up to 100% hydrogen. These nozzles require validation at full baseload operating conditions before they can be introduced to the field.

03 NATURAL GAS↗

DOE OSTI2026

Domestically Manufactured Fuel Cells for Heavy Duty Applications

This project, funded by the U.S. Department of Energy under Award DE-EE0009248, advances the domestic development of fuel-cell stack technologies for heavy-duty transportation applications. The work directly supports the Million-Mile Fuel Cell Truck (M2FCT) initiative by improving performance, durability, and manufacturability—key requirements for next-generation hydrogen fuel-cell systems.

08 HYDROGEN↗

NASA NTRS2026

The Trash Compaction Processing Systems (TCPS) Ground Unit Control Sample Testing

The Trash Compaction Processing System (TCPS) is being developed by NASA and Sierra Space to process crew trash for long-duration missions. The system compacts and thermally processes mixed spacecraft waste to reduce volume and stabilize the material while managing gas and liquid effluents. A Ground Unit (GU) located at Sierra Space in Madison, Wisconsin was used to run a series of tests using standardized control samples representing different trash conditions, including nominal, high liquid, high cloth, benign, and foam. Gas grab samples were collected during processing and analyzed to identify the compounds present in the effluent stream and compare the concentrations to the NASA spacecraft maximum allowable concentrations (SMACs). Additional testing included odor testing at White Sands Test Facility, aerosol measurements, microbiology, and tile characterization. Overall, the compounds detected in the gas samples were well below the SMAC limits for all trash models tested. The results from this testing are being used to help guide the verification approach and test planning for the TCPS Flight Unit that is planned for on-orbit testing on the International Space Station.

Control Samples↗

NASA NTRS1998

Advanced Non-Intrusive Instrumentation for Propulsion Engines

Changes in engine technology such as higher temperatures, higher tip speeds, new metal/composite/ceramic materials together with radical changes in design philosophy will require amongst other prerequisites the ability to measure and to monitor key internal gas and structural characteristics. The symposium papers presented non-intrusive measurement and analysis technologies in the following categories: Laser Point Measurements (11); Absorption and Infrared Techniques (4); Paints - Surface Sensors (6); Laser Induced Fluorescence (6); Mechanical (7); Films (5); Laser Planar Measurement (9); and a Keynote Address.

Propulsion↗

DOE OSTI2026

Modeling Radiolysis and Chemical Reactions during Dry Storage of Aluminum-clad Spent Nuclear Fuel

After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

NASA NTRS2026

SCOAPE-II: A 2024 Multiplatform Measurement Campaign off the US Gulf Coast to Assess Oil and Gas Emissions on the Outer Continental Shelf

Nine years ago, the Department of Interior’s Bureau of Ocean Energy Management (BOEM), the Agency with Air Quality (AQ) jurisdiction over the Outer Continental Shelf (OCS) of the US Gulf Coast west of 87.5° W longitude, asked NASA to determine the feasibility of using satellite data to measure offshore emissions in a region of concentrated oil and natural gas (ONG) operations. To study this issue NASA and BOEM conducted the May 2019 Satellite Coastal and Oceanic Atmospheric Pollution Experiment (SCOAPE) cruise in the Gulf. SCOAPE addressed both technological and scientific issues related to measuring nitrogen dioxide (NO 2 , a common air pollutant), including contrasting near-shore and deepwater regimes. Given the April 2023 launch of the geostationary Tropospheric Emissions: Monitoring of Pollution (TEMPO) AQ satellite, a 2024 SCOAPE-II was conducted in the Gulf with both ship and aircraft measurements. We present an overview of the SCOAPE-II campaign, analysis and validation of satellite-observed NO 2 , and evaluate measurements of methane from ship, aircraft, and satellite near ONG platforms. Our SCOAPE-II results are as follows: 1) Satellite NO 2 measurements (∼13:30 local time) from the TROPOspheric Monitoring Instrument (TROPOMI) are more accurate than TEMPO’s hourly scans (8.6% vs. 23.6% mean absolute bias); a new version of TEMPO data is currently being processed; 2) ship and aircraft measurements captured dozens of NO 2 and methane plumes from ONG operations, showing that they are persistent emitters; 3) satellite measurements of methane failed to replicate ship and aircraft measurements, presenting ongoing challenges for operational emissions monitoring over the Gulf.

satellite validation↗

DOE OSTI2026

Scalable multiplexed machine learning gas sensor chips for food classification

Multiplexed gas sensor arrays combined with machine learning have unlocked previously inaccessible applications for scent-based sensing. Current platforms are limited by overlapping sensing materials with similar compositions, leading to highly correlated responses, or multistep deposition processes that hinder scalability. In this work, we developed a 16-element monolithic chip with fully distinct sensing layers, enabling a truly heterogeneous array. The system consists of highly sensitive carbon nanotube field effect transistors that are functionalized through a single-step microdispensing method compatible with automated pipetting systems. The resulting chip produces characteristic signal patterns in response to object-specific scent profiles and, when combined with machine learning algorithms, can perform automated object identification. We demonstrate the classification of 16 different objects, including food spoilage and nut allergens, with a 92.6% overall prediction accuracy.

Bassil, Carla [University of California, Berkeley,↗

NASA NTRS1995

RTE: A Computer Code for Rocket Thermal Evaluation

The numerical model for a rocket thermal analysis code (RTE) is discussed. RTE is a comprehensive thermal analysis code for thermal analysis of regeneratively cooled rocket engines. The input to the code consists of the composition of fuel/oxidant mixture and flow rates, chamber pressure, coolant temperature and pressure. dimensions of the engine, materials and the number of nodes in different parts of the engine. The code allows for temperature variation in axial, radial and circumferential directions. By implementing an iterative scheme, it provides nodal temperature distribution, rates of heat transfer, hot gas and coolant thermal and transport properties. The fuel/oxidant mixture ratio can be varied along the thrust chamber. This feature allows the user to incorporate a non-equilibrium model or an energy release model for the hot-gas-side. The user has the option of bypassing the hot-gas-side calculations and directly inputting the gas-side fluxes. This feature is used to link RTE to a boundary layer module for the hot-gas-side heat flux calculations.

Mohammad H N Naraghi↗

DOE OSTI2025

Fluidized Bed Gasification For Conversion of Biomass and Waste Materials to Renewable Hydrogen

This project was undertaken in order to study the potential for hydrogen production, at low cost, from mixtures of biomass and municipal solid waste (MSW). This approach allows for the production of hydrogen with a very low fossil carbon burden, while taking advantage of tipping fees (associated with MSW) to improved process economics. The team sourced three primary feedstocks (wood, MSW, and waste plastics) and characterized them comprehensively using established techniques with a long track record in the field of gasification. All three primary feedstocks were highly reactive and lost most of their mass during initial devolatilization. The production of tars, including heavy tars, was quite high, and was most problematic in the case of the MSW and Waste Plastics feedstocks. Little practical difference was identified between the MSW and Waste Plastics materials, and the addition of bed-forming materials (dolomite and brown alumina) to the feedstocks was found to reduce production of tars during devolatilization under thermogravimetric analysis and/or Fischer Assay conditions. A series of four tests in a lab-scale bubbling-fluidized-bed gasifier, at 50 psig of pressure and about 825 C, confirmed these findings. Pellet feedstocks, broken into fragments, were used for these tests, and pellets comprised of 50% MSW and 50% biomass were found to be the best option in terms of fossil carbon burden, economic potential, and gasification characteristics. Tests were then undertaken in a pilot-scale gasifier facility based on the GTI U-Gas fluidized-bed gasification technology. The feedstock handling train of the 20 TPD U-Gas pilot-scale gasifier located in Des Plaines, IL, was operated under simulated gasification conditions, and the 50/50 pellets were found to be very robust and unproblematic. An improved design for the forward end of the feedstock injection screw of the gasifier was developed and installed. The design approach was based on improved passive cooling of the front-most shroud at the end of the screw, since this approach was found in comprehensive modeling studies to be more than sufficient to accomplish the project objectives associated with this phase of the work, while also avoiding thermal gradients that could have caused heat-stress-induced damage to the refractory around the feedstock inlet if an active cooling approach had been applied. Careful technoeconomic analysis (TEA) of two possible 1000 TPD facilities was carried out. The TEA of conversion of MSW with corn stover in one case, and MSW with woody feedstock in the other case, showed that both had the potential to provide hydrogen at about $1/kg (minimum selling price, 2018 dollar basis). Of the two TEA cases, the one that was based on the conversion of wood in the southeastern USA was found to have slightly better economic potential. The other TEA case was based on a real location in Nebraska and called for corn stover feedstock conversion along with MSW. An underserved communities outreach program plan was developed in cooperation with personnel from the Nebraska Public Power District.

08 HYDROGEN↗

DOE OSTI2025

Utility Experience with Inverter Based Resource Impacts on Transmission Protection

High penetration of inverter-based resources (IBR) can adversely affect the transmission protection schemes in the area. With the proliferation of IBRs, utilities are finding out that conventional protection schemes are not adequately equipped to protect the electric systems because the existing system has been designed based on the fault current response of conventional rotating-machine-based generators. In several cases, the available literature does not provide any clear solution for the issues when the protection scheme does not operate properly near IBRs. This report identifies various protection challenges due to IBRs that industry is facing, from the utility perspective. It includes a broad review of all challenges that system protection has experienced so far with high penetration of IBRs. Key issues have been identified based on a survey of different utility protection engineers. Finally, fault event recordings are shown to demonstrate some actual cases of mis-operations of relays near IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2026

Designing a Propylene-Glycol Coolant Servicer System for Gateway’s Internal Active Thermal Control System

A human spacecraft ATCS—especially one using single-phase coolant loops exposed to cabin atmospheric conditions—requires periodic degassing and refilling to support long-duration missions of 15 to 30 years. During initial fill operations, system maintenance, gas permeation, and quick-disconnect mating or de-mating, small amounts of gas can gradually enter the coolant system over time. This can lead to degraded heat transfer performance, pump cavitation, and potentially pump vapor lock if a significant gas volume accumulates over time. Additionally, system leaks and routine fluid sampling can gradually reduce accumulator volumes to unacceptable levels, requiring periodic refills. In more severe cases, catastrophic changes in fluid composition may necessitate emergency draining, refilling, and degassing to ensure continued system functionality. These risks were identified and mitigated on the ISS ITCS through the development of a dual-membrane degasser ORU and a Fluid Servicer System ORU for coolant refilling. These systems were developed for the fully water-based ISS ITCS Coolant[1]. The Gateway space station, the first permanent human habitat in lunar orbit, uses a propylene-glycol/water coolant mixture, which has significantly different fluid properties compared to pure water. Because microgravity degassing technologies are sensitive to fluid surface tension and viscosity, existing ISS hardware is not suitable for servicing a propylene-glycol-based TCS. Unlike the ISS, the Gateway will operate in a higher-radiation environment and must meet stricter mass constraints due to its location outside of low earth orbit. This Government Furnished Equipment (GFE) flight hardware project aims to develop a lightweight, radiation-resistant Coolant Servicer System (CSS) capable of degassing and refilling Gateway’s propylene-glycol water-based IATCS.

Propylene Glycol Water↗

NASA NTRS2026

Designing a Propylene-Glycol Coolant Servicer System for Gateway’s Internal Active Thermal Control System

Propylene Glycol Water↗

DOE OSTI2026

A Sensitivity-driven Wide Area Protection (SWAP) Coordination Tool for High Penetration of Inverter-based Resources (IBR)

Traditionally, power system generation sources have been composed of synchronous generators, of which the fault current behavior is understood with minimal differences between generation size and types due to the physics of their construction. Present protection schemes and modeling methods are based upon these understood characteristics. Most renewable generation is composed of inverter-based resources (IBR), in which fault current is determined by switching control software and hardware limitations, each of which can vary between manufacturers and even between models of the same manufacturer. The resulting fault current is low in magnitude, low in negative-sequence current, unpredictable phase angles, and is a challenge to model. These characteristics also result in a challenge to traditional protection schemes and fault simulation software. To address several of these concerns, the project has the following goals: 1. Improve IBR models: Improve IBR models used in short circuit (SC) programs to accurately capture the response of IBRs at the bulk power system (BPS) level for fault and protection studies. 2. Develop automation tool: Develop an automation tool that allows engineers to identify protection coordination and sensitivity issues by performing SC and protection coordination studies in a high IBR-penetrated grid by applying variations to the IBR models, faults, contingencies, etc. 3. Develop schemes: Develop new protection mitigation solution schemes that complement the existing protection systems to ensure safe operation of the BPS with higher IBR penetration levels. The project team did not achieve this final goal, as the Department of Energy (DOE) stopped the project early due to changes in DOE funding priorities. The termination notice came at the beginning of the final project phase, while the team was identifying and beginning to investigate protection issues. It should be noted that the team discussed a 100% penetration scenario. However, this scenario would require the use of grid-forming IBR models that are not presently available. Since developing these models requires additional effort, the 100% penetration scenario was not pursued during this project. In the future, developing the methodology and models for the 100% scenario could benefit the industry.

14 SOLAR ENERGY↗

DOE OSTI2026

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗

DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗