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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Metal Hydride Simulations Using SWIFT

Transition metal dihydrides are considered to be good candidate materials for nuclear reactor moderator applications due to their ability to maintain high hydrogen densities up to high temperatures. Owing to the recent interest in metal hydrides for use in microreactor applications where the size requirements make advanced moderators exceedingly attractive, a clear need for capturing the evolving thermochemistry of these materials is evident. In an effort to provide a tool for reactor designers and experimentalists, the MOOSE-based SWIFT code (Stoichiometry With Internally Fluctuating Temperature) has been adapted to tackle the thermochemical behavior of yttrium hydride at elevated temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Experimental Operation of a Prototype 750C Advanced Chloride Molten Salt Bellows Valve

To achieve DOE 2030 SunShot targets that reduce the cost of liquid-based solar by an additional 40% to 70% beyond 2018 costs, a more reliable, highly manufacturable flow valve, capable of achieving operational temperatures of >700°C is required [1]. This paper investigates the development of an innovative high-temperature chloride molten salt valve, with operation up to 750°C. This valve is intended to be employed within Gen 3 CSP liquid-based thermal energy storage (TES) systems as well as Gen 4 modular salt reactor (MSR) technologies. This work details the general design and flow testing of a bellows-seal flow control valve (FCV). This design includes an integrated closed-loop thermal control system to ensure robust design for freeze-thaw cycles. The self-contained thermal management STM system, is unique in the salt valve industry since it is an integrated solution to provide a consistent, repeatable alternative to typical heat tracing. Additionally, the design includes the employment of a novel heat pipe valve stem to facilitate enhanced passive thermal management into the valve assembly. This valve stem heat pipe is designed to facilitate natural circulation within the bonnet to ensure robust operation, during both nominal and transient thermal operation. The valve body and trim will be designed using SS316H, consistent with Flowserve Corporation’s existing product base and is code qualified but will utilize clad material for materials corrosion, manufacturing cost reduction and compatibility to ensure design flexibility. A test campaign was performed in this investigation utilizing a novel 750°C ternary chloride (20%NaCl/40%MgCl2/40%KCl by mol. wt. %) molten salt flow loop. A discussion about the design and installation of the valves within this test bed is provided for this investigation. Valve test results from this study assessed Cv curves as well as multiple actuator cycles, under varying thermodynamic and operational mode conditions, which would be characteristic within a commercial molten salt facility. The results indicate nominal operation for the baseline design, though improved performance and reliability is expected with the full designed FCV.

Armijo, Kenneth (ORCID:0000000346832147)↗
NASA NTRS1972

Post impact behavior of mobile reactor core containment systems.

In the future, nuclear assemblies containing fission products will be transported at high speeds. An example is a reactor supplying power to a large subsonic airplane. In this case an accident can occur resulting in a ground impact at speeds up to 1000 ft/sec. This paper analyzes the containment vessel temperatures after impact and attempts to understand the design variables that affect the post impact survival of the system. The heat transfer analysis includes conduction, radiation, and convection in addition to the core material heats of fusion and vaporization under partial-burial conditions. Also, included is the fact that fission products vaporize and transport radially outward and condense on cooler surfaces, resulting in a moving heat source.

Puthoff, R. L.↗
NASA NTRS1996

Quick-Mixing Studies Under Reacting Conditions

The low-NO(x) emitting potential of rich-burn/quick-mix/lean-burn )RQL) combustion makes it an attractive option for engines of future stratospheric aircraft. Because NO(x) formation is exponentially dependent on temperature, the success of the RQL combustor depends on minimizing high temperature stoichiometric pocket formation in the quick-mixing section. An experiment was designed and built, and tests were performed to characterize reaction and mixing properties of jets issuing from round orifices into a hot, fuel-rich crossflow confined in a cylindrical duct. The reactor operates on propane and presents a uniform, non-swirling mixture to the mixing modules. Modules consisting of round orifice configurations of 8, 9, 10, 12, 14, and 18 holes were evaluated at a momentum-flux ratio of 57 and jet-to-mainstream mass-flaw ratio of 2.5. Temperatures and concentrations of O2, CO2, CO, HC, and NO(x) were obtained upstream, down-stream, and within the orifice plane to determine jet penetration as well as reaction processes. Jet penetration was a function of the number of orifices and affected the mixing in the reacting system. Of the six configurations tested, the 14-hole module produced jet penetration close to the module half-radius and yielded the best mixing and most complete combustion at a plane one duct diameter from the orifice leading edge. The results reveal that substantial reaction and heat release occur in the jet mixing zone when the entering effluent is hot and rich, and that the experiment as designed will serve to explore satisfactorily jet mixing behavior under realistic reacting conditions in future studies.

Leong, May Y.↗
NASA NTRS1998

Computational Modeling Program

An Integrated Product Team (IPT) has been formed at NASA Ames Research Center which has set objectives to investigate devices and processes suitable for meeting NASA requirements on ultrahigh performance computers, fast and low power devices, and high temperature wide bandgap materials. These devices may ultimately be sub-100nm feature-size. Processes and equipment must meet the stringent demands posed by the fabrication of such small devices. Until now, the reactors for Chemical Vapor Deposition (CVD) and plasma processes have been designed by trial and error procedures. Further, once the reactor is in place, optimum processing parameters are found through expensive and time-consuming experimentation. If reliable models are available that describe processes and the operation of the reactors, that chore would be reduced to a routine task while being a cost-effective option. The goal is to develop such a design tool, validate that tool using available data from current generation processes and reactors, and then use that tool to explore avenues for meeting NASA needs for ultrasmall device fabrication. Under the present grant, ARL/Penn State along with other IPT members has been developing models and computer code to meet IPT goals. Some of the accomplishments achieved during the first year of the grant are described in this report

Govindan, T. R.↗
NASA NTRS2011

Low Cost Nuclear Thermal Rocket Cermet Fuel Element Environment Testing

Deep space missions with large payloads require high specific impulse and relatively high thrust to achieve mission goals in reasonable time frames.1,2 Conventional storable propellants produce average specific impulse. Nuclear thermal rockets capable of producing high specific impulse are proposed. Nuclear thermal rockets employ heat produced by fission reaction to heat and therefore accelerate hydrogen, which is then forced through a rocket nozzle providing thrust. Fuel element temperatures are very high (up to 3000 K), and hydrogen is highly reactive with most materials at high temperatures. Data covering the effects of high-temperature hydrogen exposure on fuel elements are limited.3 The primary concern is the mechanical failure of fuel elements that employ high-melting-point metals, ceramics, or a combination (cermet) as a structural matrix into which the nuclear fuel is distributed. The purpose of the testing is to obtain data to assess the properties of the non-nuclear support materials, as-fabricated, and determine their ability to survive and maintain thermal performance in a prototypical NTR reactor environment of exposure to hydrogen at very high temperatures. The fission process of the planned fissile material and the resulting heating performance is well known and does not therefore require that active fissile material be integrated in this testing. A small-scale test bed designed to heat fuel element samples via non-contact radio frequency heating and expose samples to hydrogen is being developed to assist in optimal material and manufacturing process selection without employing fissile material. This paper details the test bed design and results of testing conducted to date.

Bradley, D. E.↗
DOE OSTI2022

Analysis of Postulated Accident Scenarios for the Transformational Challenge Reactor

The Transformational Challenge Reactor (TCR) is a helium-cooled, yttrium-hydride-moderated reactor that was designed for the U.S. Department of Energy Office of Nuclear Energy. A key objective of the TCR was to employ advanced manufacturing techniques in a nuclear system and demonstrate their potential for revolutionizing the nuclear reactor design process. One purpose of the present work is to demonstrate the safety of the TCR under postulated accidents. Based on RELAP5-3D and COMSOL analyses, the TCR remained below all current safety limits and far below the expected failure limits for the core materials. Another purpose of this work is to provide useful insights and recommendations regarding the application of RELAP5-3D to gas-cooled or other advanced reactors. A novel approach was implemented for simultaneously modeling conduction and radiation in RELAP5-3D, which was found to provide reasonable predictions of radial core, vessel, and ex-vessel heat transfer during postulated events. A multicode approach was also applied, in which high-fidelity COMSOL calculations were used to tune the radial heat transfer parameters in RELAP5-3D. The tuned RELAP5-3D model demonstrated comparable peak temperature predictions as COMSOL, despite a coarse treatment of the core in RELAP5-3D consisting of only two lumped heat structures. This high-fidelity tuning approach enabled enhanced accuracy as well as minimal complexity within the RELAP5-3D model, even for complex fuel geometric designs as in the TCR. Finally, investigations were made into the potential for flow reversal during a pressurized loss-of-forced-flow event in the TCR. The TCR is designed with downward helium flow through the core during normal operation. The RELAP5-3D model predicted that this downward flow would persist, without flow reversal, up to several days after the circulator trip. This was attributed to natural circulation hysteresis effects as have been noted in similar thermofluidic systems. Although flow stagnation and eventual reversal did not lead to unsafe TCR conditions, interesting spatial effects were observed which may have safety relevance for other reactor system designs and coolant types that are designed for downward core flow during normal operation, warranting closer investigation of the flow reversal phenomenon.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Modular Processing of Flare Gas for Carbon Nanoproducts

This project demonstrated the technical viability and economic promise of a modular system for converting flared natural gas into valuable carbon nanoproducts (CNPs) through catalytic chemical vapor deposition (CVD). All major project milestones were successfully completed, including reactor design and commissioning, catalyst development, process optimization, technoeconomic analysis, and application testing in concrete systems. The overarching goal was to create a scalable, field-deployable process that valorizes stranded methane by producing high-value carbon materials for use in cementitious composites. At the lab scale, the team designed and built a fluidized bed reactor optimized for use with silica fume-supported nickel catalysts synthesized via atomic layer deposition (ALD). A statistically designed sintering study enabled precise tuning of nickel nanoparticle size, identifying the influence of oxygen partial pressure, time, and temperature on catalyst morphology and performance. These insights allowed the team to target catalyst conditions that maximize carbon nanofilament growth. Subsequent CVD experiments achieved up to 31.8 wt% carbon deposition under optimized conditions, with TEM confirming the presence of nanofilament structures and sustained hydrogen evolution during reaction. Reactor upgrades and empirical fluidization studies supported the development of reliable, repeatable experimental protocols. The modular pilot-scale skid reactor was fully constructed, instrumented, and commissioned. Capable of operating at 675–800°C and pressures up to 290 psig, the system was designed for continuous operation at a carbon production rate of 1 kg/hr. Initial demonstration runs confirmed solids handling, thermal control, and system leak-tightness, although a critical reactor component (the downfeed tube) was inadvertently omitted during final assembly. This omission limited gas–solid contact and prevented meaningful carbon deposition during pilot-scale CVD runs. Nonetheless, the system operated safely under design conditions, and the root cause of performance limitations was clearly identified. Complementary work on UHPC formulations demonstrated that small additions of carbon nanoproducts, including those derived from flare gas, can significantly enhance mechanical performance while preserving workability. A comprehensive study of CNF dispersion techniques and mix design optimization led to a clear protocol for integrating these nanomaterials into concrete. Incorporation of CNPs improved flexural toughness and reduced porosity, supporting their use in high-performance infrastructure applications. A technoeconomic analysis (TEA) confirmed that this process can produce CNP-loaded catalyst material at a levelized cost below $\$$7/kg across a range of catalyst loadings and reaction yields. With estimated market values for the carbon composite product ranging from $\$$14 to over $\$$60/kg, and the ability to blend CNPs into concrete at sub-percent levels with less than 10% added cost, the system presents a compelling economic case. While additional engineering work is needed to optimize fluidization and heat transfer at scale, this project establishes a strong foundation for commercial development. The process is not only technically sound but also economically promising, representing a viable pathway for flare gas mitigation through modular carbon nanomaterial production.

03 NATURAL GAS↗
DOE OSTI2020

Advanced Moderation Module for High-Temperature Micro-Reactor Applications

Development and deployment of micro-reactors that provide competitive efficiency, prevailing compactness, and inherent safety is an immediate focus of the U.S. nuclear industry. For thermal neutron micro-reactors operating at elevated temperature for optimized efficiency, such as micro molten-salt reactors (MSRs), heat-pipe reactors, and very-high temperature reactors (VHTRs), high-performance moderator based on metal hydride can enhance the neutron economy and therefore achieve reduced weight and enhanced portability. As unclad metal hydride inevitably decomposes at elevated temperature, an enclosure is required for hydride moderator to deliver desired performance at elevated temperatures. Conventional moderator enclosure solutions based on high-temperature alloys introduce extraneous neutron penalty into the micro-reactor, affecting the neutronic benefits provided by the hydride moderator. Additionally, the compatibility between the high-temperature alloy enclosure and the micro-reactor matrix is also a potential issue. In this report, we disclose an Advanced Moderator Module (AMM) concept enabled by an innovative enclosure solution combining the advantages of refractory metals, ceramic matrix composites (CMCs), and advanced coating technology to serve as hydrogen permeation barrier up to very-high temperatures. A schematic description of the AMM structure is illustrated in Figure A1. The AMM contains a moderating material core made of metal hydride with high thermal stability, such as YH 2-x . The hydride core is enclosed by an H 2 barrier layer coated on a ductile refractory metal liner to minimize hydrogen loss during high-temperature operation. A ceramic matrix composite (CMC) cladding is adopted to provide further structural strength, especially during power transients. Between the CMC cladding and metal liner, an extra diffusion barrier coating is inserted to suppress the chemical interaction at elevated temperatures. Hence, based on a series of innovative material solutions, the AMM is capable of containing the metal hydride core at elevated temperature (>900oC) inside coated and lined CMC envelop with negligible hydrogen loss throughout the microreactor lifetime. The benefit of the AMM technology was assessed based on a comprehensive multi-stage reactor-physics analysis. Advanced moderation based on hydride metals (such as YH2-x) enables reaching optimum moderation with higher fuel content than traditional VHTR technology, which is required to design compact micro-reactor cores targeting long-life operation. The AMM enclosure technology provides lower thermal neutron absorption rates than traditional solutions (based on stainless steel or Mo-based alloy such as TZM), which reduces the fissile enrichment requirements by 6-8% on a TRISO-fueled design based on the EMPIRE core. Finally, combining the hydride moderator with neutron transparent enclosure solutions provides significant potential to boost neutronics performance of micro-reactors in terms of increased core lifetime or reduced size and weight by 30-50% on a micro-reactor based on the Holos Quad technology. The progress and plans for on-going development and demonstration efforts are also discussed in this report. The current demonstration of AMM is focused on the hydrogen diffusion barrier demonstration under thermal cycling, while radiation tolerance demonstration is planned. The next step of the demonstration plan will be the assembly of miniature AMM for high-temperature testing, which can be used as a prototype for future pilot scale demonstration.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Green Methanol via an Integrated Direct Air Capture, CO 2 Electrolyzer, and Hydrogenation Reactor

This project pioneered a groundbreaking reactor design to produce green methanol by harnessing the electrochemical CO 2 reduction reaction (eCO 2 RR), a cornerstone of power-to-fuels technology. The effort integrated three innovative technologies to achieve carbon-neutral methanol production at a target cost of under $\$$800/ton: 1. Direct Air Capture (DAC): Using a cutting-edge sorbent material developed at Holocene, scalable models were developed to integrate captured atmospheric CO₂ into the reactor system. 2. Intermediate-Temperature CO 2 Electrolyzer: Developed by the University of Tennessee (UTK), this electrolyzer utilizes a cost-effective, proton-conducting solid acid electrolyte (CsH 2 PO 4 , CDP) and a mixed-metal oxide cathode. It achieves high faradaic efficiencies (>98%) by effectively suppressing hydrogen evolution at high current densities, converting CO 2 to CO with remarkable selectivity. 3. Catalysis and Reactor Engineering: Oak Ridge National Laboratory (ORNL) contributed world-class expertise in heterogeneous catalysis and reactor design. Their advanced ASPEN modeling drove systems integration and supported techno-economic and life cycle analyses. This effort was further bolstered by partnerships with industry leaders Air Company and Plug Power, who provided critical guidance on scaling, systems engineering, and the integration of water electrolyzers into large-scale operations. During Phase 1, the team focused on modeling and validating a lab-scale reactor demonstrating the feasibility of the integrated approach. Key accomplishments include a 52% increase in current density at 0.8 V while maintaining >98% CO faradaic efficiency, successful 10× scale-up of the electrolyzer with performance within 5% of coin-cell results, best-in-class durability (168-hour test at 0.6 V with 0.14 mA/cm 2 -h degradation), validated TEA confirming the $\$$800/ton methanol target, and completed preliminary LCA showing potential for net-negative GHG emissions under renewable energy scenarios.

10 SYNTHETIC FUELS↗
DOE OSTI2025

Design of a High-Assay Low-Enriched Uranium Tri-Structural Isotropic Critical Experiment for Advanced Reactor Validation

High-assay low-enriched uranium (HALEU) fuel is a key component of many small modular reactor designs. Critical experiments are an important way to understand the neutronic performance of systems by obtaining nuclear data validations through measurements. Data reduce uncertainty and risk by showing that systems respond as predicted to changes such as temperature, subsequently advancing the overall technology readiness level of the materials within. Numerous critical experiments have been performed at the National Criticality Experiments Research Center (NCERC) operated by Los Alamos National Laboratory at the Nevada National Security Site since it became operational in 2011. However, the first experiment with HALEU fuel did not occur until 2024. Through extensive engineering, the experiment described in this paper was successfully designed and executed for the Comet vertical lift assembly at NCERC to perform measurements with HALEU tri-structural isotropic fuel that will assist in validation of nuclear data and computational modeling of small modular reactors for years to come.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Collaborative Research Proposal: Time Resolved Optical Emissions Spectroscopy and Laser Induced Fluorescence Spectroscopy of Nanosecond Pulsed Discharges in a Gas-Liquid Water Film Reactor

Electrical discharge plasma formed in contact with liquid water is of interest for a wide range of applications in chemical, biomedical, agricultural, electrical, and materials science and engineering. Such plasma reactors are of very timely importance since they also have significant disinfection capability by inactivating bacteria, viruses and other pathogens. Many types of plasma sources including those driven by AC, DC, RF, microwave, and pulsed electrical power supplies coupled to a wide range of different electrode configurations and reactor designs have been developed and explored which contact the plasma with liquid water. Recent roadmaps have recommended that further work is needed to develop our understanding of the fundamental chemical and physical process which occur at the interface of non-thermal plasma with liquid water solutions in order to advance this large diversity of applications which ultimately depend upon efficient production of key reactive chemical species. There is a wide range of interacting factors that affect the chemical reactions that occur in the plasma, in the liquid phase, and at the interface. These factors ultimately govern the key reactive chemical species formed and used in the various applications and they include a) the reactor design and input parameters, b) the discharge and transport processes, c) the plasma properties, and d) the resulting chemical reactions. For pulsed discharges, the power supply design and output parameters control the applied voltage, frequency, rise time, and width (duration) of the applied pulses. The reactor design involves specification of the gas-liquid contacting methods, electrode gap distance, reactor volume and shape, and gas and liquid flow rates achievable. The gas and liquid compositions as well as the liquid properties such as pH and conductivity are also of key importance in determination of the resulting chemical reactions. In addition, the important plasma properties include plasma gas temperature, electron density, electron energy (distribution), and size of the plasma channels which are all affected by the discharge and transport properties. Many studies have focused on specific aspects of these various processes. Of particular important and relevance to the proposed work is the utilization of nanosecond pulses to generate plasma in gas-liquid systems, liquid bubbles, underwater, and in gases. Recent advances in nanosecond pulses provide significant advantages in utilization with liquid water. For example, fast rise time and short pulses are less sensitive to water conductivity, such short pulses may provide advantages in fast temporal quenching of the plasma, and fundamental analysis of pulse properties, including pulse shape and width, may be facilitated by investigation of single filamentary fast pulses. Many studies have also dealt with the role of the gas composition on formation of reactive oxygen species (ROS) (i.e., hydroxyl radicals – ·OH, hydrogen peroxide – H 2 O 2 , various atomic oxygen species, ozone-O 3 , hydroperoxyl radicals HO 2 ·) and reactive nitrogen species (RNS) (i.e., nitrogen oxides – NO, NO 2 , N 2 O - collectively termed NO X , nitrite-NO 2 - , nitrate-NO 3 - , peroxynitrite-ONOO - ). The hydroxyl radical is the critical species in many chemical oxidation reactions for chemical degradation of toxic compounds in water and gases and for synthesis of some compounds. The mixture of various nitrogen oxide species is important for many biochemical and biological processes involved in biomedical and agricultural applications including disinfection and fertilizer production. The present proposal focuses on determination of the effects of time resolved electron density and hydroxyl radicals on plasma chemical reactions through collaboration with the Princeton Collaborative Low Temperature Plasma Research Facility (PCRF) at the Princeton Plasma Physics Laboratory (PPPL). In order to further investigate the role of the plasma generated electrons and hydroxyl radicals on the overall formation of the key species including hydrogen peroxide, hydroxyl radicals, and nitrogen oxides, the proposed work, thus seeks to determine high resolution time resolved electron density by optical emissions spectroscopy and time resolved hydroxyl radicals using laser induced fluorescence in the nanosecond discharge reactor. The combination of data on electron density and hydroxyl radical concentration will be utilized in the present work to more fully characterize the chemical reaction processes in this system and to advance the design, development, and operation of such chemical reactors for a wide range of applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Design and out-of-pile testing of a novel irradiation experiment vehicle to support qualification of nuclear thermal propulsion components

Fission power systems have demonstrated higher thermal energy density per unit mass than chemical systems. High mass specific energy density offers advantages in space thermal propulsion applications. In the 1960s, nuclear thermal propulsion (NTP) development included the ROVER/NERVA program, in which full-scale prototype reactors were tested on the ground using hydrogen as the reactor coolant and propellant. NTP systems are being revisited, with expectations of improved performance resulting from improved fuel materials, allowing propellant temperatures near 2,800 K and over 20 thermal propulsion cycles. An apparatus has been developed to test NTP fuel materials in a research reactor at temperature and in a radiation environment typical of the NTP application. Here, this paper presents the design constraints, preliminary scoping thermal analysis, and basic thermal qualification testing for the out-of-pile experiment set apparatus, or OUTSET.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Mechanisms of Retention and Transport of Fission Products in Virgin and Irradiated Nuclear Graphite

To fulfill the design and licensing requirements for advanced reactors, the U.S. Department of Energy (DOE) is specifically interested in targeted research to quantify the mechanisms of fission product transport and retention in graphitic grades that will likely be used in next-generation very/high temperature reactors, fluoride salt-cooled high temperature reactors and molten salt reactors. We have examined an integrated experimental-computational approach to determine the diffusivities of selected fission products – ruthenium (Ru) and silver (Ag) in five nuclear graphite grades – POCO AXF-5Q, POCO ZXF-5Q, PCEA, IG110, and NBG-18. Experimental investigation for diffusion of other fission products (iodine, cesium, and krypton) in graphite could not be carried out due to extreme evaporation due to high vapor pressure, despite several attempts incorporating various experimental schemes. Experimental investigation with irradiated graphite could not be carried out because necessary approval to transport irradiated graphite could not be obtained due to procedural reasons at ORNL and national policy change in UK. An effort was made to “produce” by ion sputtering, but it was discontinued because the outcome did not adequately represent irradiated graphite. Thin film and “cup-and-cap” methods were employed to deposit fission products, diffusion annealed were carried out in an argon atmosphere, and concentration profiles were determined by dynamic secondary ion mass spectroscopy depth profiling technique. Regardless of graphite type, anomalous diffusion behavior of Ru (i.e., lower than expected based on Arrhenius temperature dependence) at an intermediate temperature, around 600 to 700 °C, was observed. Diffusion behavior of silver on the other hand agreed well to the Arrhenius temperature dependence although the excessive evaporation of silver hampered the accurate determination of diffusivities at temperature higher than 900 °C. In general, silver was observed to diffuse faster than Ru in the temperature range compared from 500 to 900 °C, had consistently had higher pre-exponential factor corresponding to higher jump frequency. To understand the abnormal diffusional behavior of Ru in graphite in intermediate temperature range, a detailed microstructural analysis was carried out. Clustering of Ru into particles on the surface of graphite was observed around 700 °C corresponding to de-wetting and spheroidization. This change would influence the boundary condition of diffusion, although features of clustering was much smaller (<1 mm) than the SIMS raster size (120 x 120 mm). Raman spectroscopy also demonstrated that Raman peak intensity for Ru decreased significantly for samples annealed higher than 700 °C and presence of Ru in graphite altered the crystallinity of graphite. To further elucidate the abnormal diffusion behavior observed in intermediate temperature investigated, the vibrational properties of graphene, bilayer graphene and Kr atoms in bilayer graphene were investigated with molecular dynamics. Krypton, which is a fission product, was introduced between a bilayer graphene system to evaluate (i) whether the phonon dispersion curves change with high temperature in bilayer graphene (ii) whether the addition of Kr atoms between the bilayer introduces any significant change in the vibrational properties, and (iii) whether any change in the vibrational properties can be correlated to the diffusive behavior of Kr atoms. The results show that the Kr atoms indeed exhibit an anomalous diffusive behavior at 550°C. Phonon analysis shows that a few phonon frequencies are enhanced as much as 20 to 30 % with the addition of just 0.2 at.% Kr. So, this may explain the unexpected self-diffusivity of fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Hydrogen Permeation in FeCrAl APMT Alloy for Accident Tolerant Fuel Cladding

Iron-chromium-aluminum (FeCrAl) alloys such as APMT (advanced powder metallurgy tubing) are candidate materials to replace zirconium alloys for the light water reactor fuel cladding. This alloy meets the requirements to be a material more tolerant of high-temperature accidents than the current zirconium alloys. One concern is that the use of FeCrAl may result in an increase in tritium presence in the coolant compared to the current design. The aim of the current research was to obtain effective diffusion coefficients (D eff ) for hydrogen through APMT using the Devanathan-Stachurski cell. Results showed that at 30°C the D eff value was 2.8 × 10 -8 cm 2 /s. Results also showed a linear relationship between the permeated hydrogen flux and the inverse of the test specimen thickness, which demonstrated the validity of the permeation measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

SOFE2023 Presentation: "Tritium Safety and Sensitivity Analysis of Tritium Extraction eXperiment (TEX) PbLi Loop Using MELCOR-TMAP"

The efficient extraction of tritium from the breeder blanket (BB) in a fusion reactor is vital for maintaining the tritium economy for a sustainable and self-sufficient fusion power plant. The vacuum permeator (VP) design is one of several promising technology platforms for extracting tritium from the BB with the advantages of being capable of operating continuously at high temperatures with the aim of achieving high tritium extraction efficiencies. The Tritium Extraction eXperiment (TEX), under construction at the Safety and Tritium Applied Research (STAR) Facility at Idaho National Laboratory (INL), is designed to test the viability of VP technology by introducing atomic hydrogen (H, D, and T) from a source permeator (SP) into a forced convection lead lithium eutectic (PbLi) loop and determining the hydrogen extraction rates from the vanadium VP. Presented here is a computational analysis of the hydrogen inventory and permeation behavior in TEX using the hydrogen transport and accident analysis code MELCOR-TMAP developed at INL. The results of a sensitivity analysis based on MELCOR-TMAP simulations of hydrogen extraction efficiencies from the TEX test section using varying PbLi flow rates, hydrogen source rates from the SP, and material property uncertainties are also reported. Operation scenarios for TEX in consideration of the analyses based on results from MELCOR-TMAP are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

INSTRUMENTATION FOR IN-CORE REAL-TIME MECHANICAL TESTING OF STRUCTURAL MATERIALS (INCREASE) PROJECT

Idaho National Laboratory (INL), in collaboration with the Electric Power Research Institute (EPRI), Nuclear Regulatory Commission, French Atomic and Alternative Energies Commission (CEA), Joint Research Centre, Nuclear Research and Consultancy Group, and Research Center Rez, is the operating agent of the In-Core Real-Time Mechanical Testing of Structural Materials (INCREASE) joint experimental program (JEEP) project that operates within the Nuclear Energy Agency (NEA)’s Framework for Irradiation Experiments (FIDES-II) program. The first objective of the INCREASE project is to design a shared capsule that can house a variety of in-core mechanical testing instrumentation for enabling smart irradiation experiments. The second objective is to collect in core stress relaxation data pertaining to high priority stainless steel (SS) materials under light water reactor conditions with target temperature of 340°C +/-20°C and a minimum neutron damage of 2 displacement per atom (dpa). The INCREASE project will be demonstrated in the Massachusetts Institute of Technology Nuclear Research Reactor (MITR).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting Thermal Excursions During in situ Oxidative Regeneration of Packed Bed Catalytic Fast Pyrolysis Catalyst

Ex situ catalytic fast pyrolysis (CFP) uses a secondary reactor to upgrade biomass pyrolysis vapors to stabilized CFP oils with reduced oxygen content. In one configuration, the secondary reactor is operated as a packed-bed swing reactor system which allows coke-deactivated beds to be decarbonized in situ while other beds remain online for vapor upgrading. In situ decarbonization must be done carefully to avoid irreversible deactivation and/or physical degradation of catalyst pellets. Given that packed bed reactors are well known to have poor heat transfer characteristics, this is a critical issue impacting scaleability and commercial viability of the technology. To predict thermal excursions during regeneration, finite element computational models have been built to assist in scaling up oxidative decarbonization of a Pt/TiO2 CFP catalyst (0.5 mm spheres) from a bench scale packed bed with 100 g of catalyst to a pilot scale packed bed with 2 kg of catalyst and internal cooling tubes. Based on transient measurements of outlet temperature and effluent CO2 concentration, and using an assumed coke profile and activation energy, this paper demonstrates that specific combinations of effective thermal conductivity and wall heat transfer coefficient can fit bench scale oxidative regeneration data equally well. For the upscaled 2 kg bed, four bench-scale “best fit” parameter pairs give different predictions for location and magnitude of thermal excursions, with the maximum computed bed temperature gradients ranging from 30 °C cm-1 to as high as 3000 °C cm-1. The larger the fraction of heat removal by conduction through the cooling tubes, the greater the differences between the parameter pairs. The modelling results presented in this paper cast doubt on the industrial viability of the proposed combination of catalyst, bed and regeneration process, and point to the need for alternate reactor designs. However, there is considerable uncertainly in some of the key model parameters. The reliability of model predictions can be increased by adding more temperature measurements at key bed locations, testing additional variations in process conditions, performing careful bed dissections to determine the true coke profile, and perhaps most importantly, directly measuring the effective thermal conductivity of the catalyst pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗