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At least 613 records · Page 34

Deactivation of Mo/H-ZSM-5 in Microwave-Assisted and Thermal-Driven Methane Dehydroaromatization

A better understanding of catalyst deactivation is needed to improve catalyst design and performance in microwave-enhanced methane dehydroaromatization (MDA). Here, this study investigates the deactivation of a molybdenum supported H-ZSM-5 zeolite (Mo/H-ZSM-5) catalyst in MDA under microwave-heated conditions, comparing its performance to that of the same catalyst under conventional heating. While the microwave-assisted (MW) process achieved higher benzene yields, the catalyst experienced faster deactivation due to the selective and rapid deposition of coke within the pores of the zeolite, as confirmed through Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), ammonia-temperature programmed desorption (NH 3 -TPD), thermal gravimetric analysis (TGA), temperature programmed oxidation (TPO), and X-ray photoelectron spectroscopy (XPS) analyses. The quantification of total coke content via TGA/TPO and surface carbon (XPS) revealed that nearly twice as much coke was deposited on the catalyst under MW conditions compared to that on the conventionally heated material, and the coke exhibited a more conductive and graphitic nature. The accelerated deactivation rates were attributed to the formation of hot spots in the MW system, leading to enhanced coupling with coke formed in situ during the reaction and resulting in increased Mo reduction. Observations indicated that the CO activation used to carburize the catalyst prior to the reaction is not advantageous in the MW heating environment. The presence of large amounts of Mo oxides at elevated temperatures (through hot spots) exposed to methane leads to instability under the reaction conditions. Optimizing the activation environment and improvement of the Mo dispersion within the pores are potential strategies to improve catalyst stability.

Mo/H-ZSM-5 zeolite↗

Capturing carbon dioxide from air with charged-sorbents

Emissions reduction and greenhouse gas removal from the atmosphere are both necessary to achieve net-zero emissions and limit climate change. There is thus a need for improved sorbents for the capture of carbon dioxide from the atmosphere, a process known as direct air capture. In particular, low-cost materials that can be regenerated at low temperatures would overcome the limitations of current technologies. In this work, we introduce a new class of designer sorbent materials known as ‘charged-sorbents’. These materials are prepared through a battery-like charging process that accumulates ions in the pores of low-cost activated carbons, with the inserted ions then serving as sites for carbon dioxide adsorption. We use our charging process to accumulate reactive hydroxide ions in the pores of a carbon electrode, and find that the resulting sorbent material can rapidly capture carbon dioxide from ambient air by means of (bi)carbonate formation. Unlike traditional bulk carbonates, charged-sorbent regeneration can be achieved at low temperatures (90–100 °C) and the sorbent’s conductive nature permits direct Joule heating regeneration using renewable electricity. Given their highly tailorable pore environments and low cost, we anticipate that charged-sorbents will find numerous potential applications in chemical separations, catalysis and beyond.

54 ENVIRONMENTAL SCIENCES↗

Development of a Techno-Economic Analysis Framework for a Solar Thermochemical Fuel Production Process

Synthetic liquid fuels can provide a drop-in substitute for fossil-based fuels in sectors such as aviation and maritime, where electrification is not a viable option due to the need for high specific energy density. However, for these alternative fuels to be adopted at a commercial scale, their price must be competitive compared to their fossil-based counterparts. The reverse water-gas shift (RWGS) reaction offers a promising pathway, using hydrogen (sourced from electrolysis) and carbon dioxide as the feed and reacting to produce syngas - a mixture of H2 and CO at a specific ratio. Syngas is a useful precursor that can be converted into fuels and chemicals via known downstream processes, such as liquid transportation fuels via Fischer-Tropsch (FT) synthesis. The RWGS reaction is currently not applied in commercial scale, unlike the rest of the components in the process chain (electrolyzers and syngas-to-fuel synthesis units). The RWGS reaction poses several challenges due to its restrictive thermodynamics. Being an equimolar reaction, high temperatures and a large excess of H2 are needed to achieve reasonable CO2 conversion at equilibrium. This has detrimental effects on practical process implementation and the quality of syngas that can be produced, with direct effect on the energy and capital requirements, as well as the need for expensive downstream separation. In this work, we are proposing to develop a new concentrating solar thermal (CST) compatible RWGS reactor, performing the reaction in a 2-step chemical looping process using metal oxide at a temperature range of 600-800 degrees Celsius. By decoupling the reactor from the solar receiver, the Generation 3 (Gen3) CST technology could be utilized, together with its proposed thermal energy storage (TES) technology, benefitting from a good match to the required temperatures. CST technology is a viable option for supplying the heat that could be rapidly deployed in scale, thus being a good match to the gas-to-liquid (GTL) process which requires a large minimal scale to be commercially viable. The integration of TES with CST also allows operating the plant at large annual capacity factors and avoids multiple shutdown/startup cycles, thus fitting into the steady-state operation mode that most GTL processes require. The main innovation in the proposed design hinges on a countercurrent reaction design using a packed bed reactor. In 2019 Metcalfe et al. showed the benefits of countercurrent species exchange could be realized in a redox chemical-looping processes, by storing the favorable countercurrent chemical potential profiles in a packed bed of non-stoichiometric oxide. Metcalfe et al. applied this breakthrough concept to the WGS reaction, which is conventionally a co-feed catalytic process, showing a dramatic improvement. Bulfin et al. (2023) performed a similar proof-of-concept demonstration for the RWGS reaction using CeO2, achieving cumulative and peak CO2 conversions of 88% and 95%, respectively, compared to a thermodynamic limit of 58% for the co-feed catalytic process at the same conditions. In our new REGENLOOP project, we are developing a reactor prototype from the heat-exchange packed bed reactor-type, a commonly used reactor in the chemical industry. The endothermic heat of reduction will be supplied to the reactor using CST, while the same heat transfer fluid (HTF) mechanism will be used to extract the exothermic heat of oxidation. An array of multiple reactors is used to supply constant high-purity CO stream, that is then mixed with H2 from electrolysis to produce a high-purity syngas at the required composition. By removing the CO-CO2 separation after the RWGS process, significant energy and cost reduction can be achieved. A physics-based TEA framework is currently being developed, covering all the major plant processes, from the solar collection through storage, chemical looping RWGS, GTL, and auxiliary unit operations, up to the liquid hydrocarbon product. This modeling framework will utilize reduced-order models for the chemical looping RWGS and TES, CST modeling using SolarPILOT, and Aspen Plus for the GTL. By using this combined physics-based approach, the effects of design/operating parameters on the performance and cost can be elucidated. In our presentation, the modeling framework will be presented in detail, including preliminary cost predictions of using this plant configuration under a few selected relevant case studies. This study will be used to identify the major cost drivers, informing further system design and optimization needed to chart the way for a commercially viable pathway.

14 SOLAR ENERGY↗

Silicon halide-alkali metal flames as a source of solar grade silicon

The feasibility of using alkali metal-silicon halide diffusion flames to produce solar-grade silicon in large quantities and at low cost is demonstrated. Prior work shows that these flames are stable and that relatively high purity silicon can be produced using Na + SiCl4 flames. Silicon of similar purity is obtained from Na + SiF4 flames although yields are lower and product separation and collection are less thermochemically favored. Continuous separation of silicon from the byproduct alkali salt was demonstrated in a heated graphite reactor. The process was scaled up to reduce heat losses and to produce larger samples of silicon. Reagent delivery systems, scaled by a factor of 25, were built and operated at a production rate of 0.5 kg Si/h. Very rapid reactor heating rates are observed with wall temperatures reaching greater than 2000 K. Heat release parameters were measured using a cooled stainless steel reactor tube. A new reactor was designed.

Olsen, D. B.↗

Inverse sequential procedures for the monitoring of time series

When one or more new values are added to a developing time series, they change its descriptive parameters (mean, variance, trend, coherence). A 'change index (CI)' is developed as a quantitative indicator that the changed parameters remain compatible with the existing 'base' data. CI formulate are derived, in terms of normalized likelihood ratios, for small samples from Poisson, Gaussian, and Chi-Square distributions, and for regression coefficients measuring linear or exponential trends. A substantial parameter change creates a rapid or abrupt CI decrease which persists when the length of the bases is changed. Except for a special Gaussian case, the CI has no simple explicit regions for tests of hypotheses. However, its design ensures that the series sampled need not conform strictly to the distribution form assumed for the parameter estimates. The use of the CI is illustrated with both constructed and observed data samples, processed with a Fortran code 'Sequitor'.

Radok, Uwe↗

TPSAS-NF1676L-12284-DND

A much desired capability for conceptual design of aircraft is the ability to rapidly and accurately evaluate new concepts to avoid adverse trade decisions that can hinder the development in the later stages of design. For the conceptual design of supersonic aircraft, it is important to evaluate the robustness of a new low-boom concept. Here, robustness means that the aircraft configuration has low-boom ground signatures at both under-track and off-track locations. An integration process for off-track boom analysis is developed to facilitate robust design of low-boom supersonic aircraft. The integrated off-track analysis can also be used to study sonic boom impact on flight corridors where flight conditions and ground elevation might have a significant effect on ground signatures. The key for off-track sonic boom analysis is accurate solutions for off-body pressure distribution along the lower region of a cylinder cut around the aircraft. To ensure the numerical accuracy of the off-body pressure distribution, a mesh study is performed to determine the mesh requirements for off-track analysis as well as comparisons between Cart3D and USM3D off-track sonic boom results for various low-boom concepts. The integrated and automated process makes it possible to study the environmental impact of future supersonic concepts in the early design phases and support the planning of future flight corridors to mitigate sonic boom effects.

Irian Ordaz↗

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗

Design and performance analysis of gas sorption compressors

Compressor kinetics based on gas adsorption and desorption processes by charcoal and for gas absorption and desorption processes by LaNi5 were analyzed using a two-phase model and a three-component model, respectively. The assumption of the modeling involved thermal and mechanical equilibria between phases or among the components. The analyses predicted performance well for compressors which have heaters located outside the adsorbent or the absorbent bed. For the rapidly-cycled compressor, where the heater was centrally located, only the transient pressure compared well with the experimental data.

Chan, C. K.↗

Thermal anomalies of the transmitter experiment package on the communications technology satellite

The causes of four temporary thermal-control-system malfunctions that gave rise to unexpected temperature excursions in the 12-gigahertz, 200-watt transmitter experiment package (TEP) on the Communications Technology Satellite were investigated. The TEP consists of a nominal 200-watt output stage tube (OST), a supporting power-processing system (PPS), and a variable-conductance heat-pipe system (VCHPS). The VCHPS, which uses three heat pipes to conduct heat from the body of the OST to a radiator fin, was designed to maintain the TEP at safe operating temperatures at all operating conditions. On four occasions during 1977, all near the spring and fall equinoxes, the OST body temperature and related temperatures displayed sudden, rapid, and unexpected rises above normal levels while the TEP was operating at essentially constant, normal conditions. The temperature excursions were terminated without TEP damage by reducing the radio frequency (RF) output power of the OST. Between the anomalies and since the fourth, the thermal control system has apparently functioned as designed. The results indicate the most probable cause of the temperature anomalies is depriming of the arteries in the variable-conductance heat pipes. A mode was identified in which the TEP, as presently configured, may operate with stable temperatures and with minimum change in performance level.

Alexovich, R. E.↗

PARAS program: Phased array radio astronomy from space

An orbiting radio telescope is proposed which, when operated in a Very Long Baseline Interferometry (VLBLI) scheme, would allow higher (than currently available) angular resolution and dynamic range in the maps, and the ability of observing rapidly changing astronomical sources. Using a passive phases array technology, the proposed design consists of 656 hexagonal modules forming a 150 meter diameter dish. Each observatory module is largely autonomous, having its own photovoltaic power supply and low-noise receiver and processor for phase shifting. The signals received by the modules are channeled via fiber optics to the central control computer in the central bus module. After processing and multiplexing, the data is transmitted to telemetry stations on the ground. The truss frame supporting each observatory pane is a hybrid structure consisting of a bottom graphite/epoxy tubular triangle and rigidized inflatable Kevlar tubes connecting the top observatory panel and bottom triangle. Attitude control and stationkeeping functions are performed by a system of momentum wheels in the bus and four propulsion modules located at the compass points on the periphery of the observatory dish. Each propulsion module has four monopropellant thrusters and six hydrazine arcjets, the latter supported by a nuclear reactor. The total mass of the spacecraft is 22,060 kg.

Jakubowski, Antoni K.↗

Project PARAS: Phased array radio astronomy from space

An orbiting radio telescope is proposed which, when operated in a very long baseline interferometry (VLBI) scheme, would allow higher than currently available angular resolution and dynamic range in the maps and the ability to observe rapidly changing astronomical sources. Using passive phased array technology, the proposed design consists of 656 hexagonal modules forming a 150-m diameter antenna dish. Each observatory module is largely autonomous, having its own photovoltaic power supply and low-noise receiver and processor for phase shifting. The signals received by the modules are channeled via fiber optics to the central control computer in the central bus module. After processing and multiplexing, the data are transmitted to telemetry stations on the ground. The truss frame supporting each observatory panel is a novel hybrid structure consisting of a bottom graphite/epoxy tubular triangle and rigidized inflatable Kevlar tubes connecting the top observatory panel and the bottom triangle. Attitude control and station keeping functions will be performed by a system of momentum wheels in the bus and four propulsion modules located at the compass points on the periphery of the observatory dish. Each propulsion module has four monopropellant thrusters and four hydrazine arcjets, the latter supported by either a photovoltaic array or a radioisotope thermoelectric generator. The total mass of the spacecraft is about 20,500 kg.

Nuss, Kenneth↗

The Design and Evaluation of the Lighting Imaging Sensor Data Applications Display (LISDAD)

The design and evaluation of the Lightning Imaging Sensor Data Applications Display (LISDAD). The ultimate goal of the LISDAD system is to quantify the utility of total lightning information in short-term, severe-weather forecasting operations. To this end, scientists from NASA, NWS, and MIT organized an effort to study the relationship of lightning and severe-weather on a storm-by-storm, and even cell-by-cell basis for as many storms as possible near Melbourne, Florida. Melbourne was chosen as it offers a unique combination of high probability of severe weather and proximity to major relevant sensors - specifically: NASA's total lightning mapping system at Kennedy Space Center (the LDAR system at KSC); a NWS/NEXRAD radar (at Melbourne); and a prototype Integrated Terminal Weather System (ITWS, at Orlando), which obtains cloud-to-ground lightning Information from the National Lightning Detection Network (NLDN), and also uses NSSL's Severe Storm Algorithm (NSSL/SSAP) to obtain information about various storm-cell parameters. To assist in realizing this project's goal, an interactive, real-time data processing system (the LISDAD system) has been developed that supports both operational short-term weather forecasting and post facto severe-storm research. Suggestions have been drawn from the operational users (NWS/Melbourne) in the design of the data display and its salient behavior. The initial concept for the users Graphical Situation Display (GSD) was simply to overlay radar data with lightning data, but as the association between rapid upward trends in the total lightning rate and severe weather became evident, the display was significantly redesigned. The focus changed to support the display of time series of storm-parameter data and the automatic recognition of cells that display rapid changes in the total-lightning flash rate. The latter is calculated by grouping discrete LDAR radiation sources into lightning flashes using a time-space association algorithm. Specifically, the GSD presents the user with the Composite Maximum Reflectivity obtained from the NWS/NEXRAD. Superimposed upon this background image are placed small black circles indicating the locations of storm cells identified by the NSSL/SSA. The circles become cyan if lightning is detected within the storm-cell; if the cell has lightning rates indicative of a severe-storm, the circle turns red. This paper will: (1) review the design of LISDAD system; (2) present some examples of its data display; and shown results of the lightning based severe-weather prediction algorithm.

Boldi, B.↗

Investigation of test methods, material properties, and processes for solar cell encapsulants

Technical investigations concerned the development of advanced cure chemistries for lamination type pottants; the continued evaluation of soil resistant surface treatments, and the results of an accelerated aging test program for the comparison of material stabilities. New compounds were evaluated for efficiency in curing both ethylene/vinyl acetate and ethylene/methyl acrylate pottants intended for vacuum bag lamination of solar cells. One compound in particular, designated Lupersol - TBEC (Lucidol Division of Pennwalt Corp.) was found to be unusually effective in promoting the rapid cure of both these materials. Formulation of these resins with TBEC resulted in compositions of very high gel content, lower temperatures of activation, and much lower cure times, even in the ethylene/methyl acrylate polymer that is more difficult to cure. It is expected that TBEC modified pottant formulations may permit the lamination/encapsulation step to be operated at lower temperatures, higher speed, higher throughput and a much wider tolerance for intentional or accidental variations in the cure schedule. An experimental program continued to determine the effectiveness of soil resistant coatings.

Willis, P. B.↗

Using Financial Contracts to Facilitate Informal Leases Within a Western United States Water Market Based on Prior Appropriation

The ability to reallocate water to higher-value uses during drought is an increasingly important “soft-path” tool for managing water resources in an uncertain future. In most of the Western United States, state-level water market institutions that enable reallocation also impose substantial transaction costs on market participants related to regulatory approval and litigation. These transaction costs can be prohibitive for many participants in terms of both costs and lengthy approval periods, limiting transfers and reducing allocation efficiency, particularly during drought crises periods. This manuscript describes a mechanism to reduce transaction costs by adapting an existing form of informal leases to facilitate quicker and less expensive transfers among market participants. Instead of navigating the formal approval process to lease a water right, informal leases are financial contracts for conservation that enable more junior holders of existing rights to divert water during drought, thereby allowing the formal transfer approval process to be bypassed. The informal leasing approach is tested in the Upper Colorado River Basin, where drought and institutional barriers to transfers lead to frequent shortages for urban rights holders along Colorado's Front Range. Informal leases are facilitated via option contracts that include adaptive triggers and that define volumes of additional, compensatory, releases designed to mitigate impacts to instream flows and third parties. Results suggest that more rapid reallocation of water via informal leases could have resulted in up to $222 million in additional benefits for urban rights holders during the historical period 1950–2013.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Development of a Modeling Framework to Support Control Investigations of Sailcraft Missions A First Cut: ABLE Sailcraft Dynamics Model

Solar Sailcraft, the stuff of dreams of the H.G. Wells generation, is now a rapidly maturing reality. The promise of unlimited propulsive power by harnessing stellar radiation is close to realization. Currently, efforts are underway to build, prototype and test two configurations. These sails are designed to meet a 20m sail requirement, under guidance of the In-Space Propulsion (ISP) technology program office at MSFC. While these sails will not fly , they are the first steps in improving our understanding of the processes and phenomena at work. As part of the New Millennium Program (NMP) the ST9 technology validation mission hopes to launch and fly a solar sail by 2010 or sooner. Though the Solar Sail community has been studying and validating various concepts over two decades, it was not until recent breakthroughs in structural and material technology, has made possible to build sails that could be launched. With real sails that can be tested (albeit under earth conditions), the real task of engineering a viable spacecraft has finally commenced. Since it is not possible to accurately or practically recreate the actual operating conditions of the sailcraft (zero-G, vacuum and extremely low temperatures), much of the work has focused on developing accurate models that can be used to predict behavior in space, and for sails that are 6-10 times the size of currently existing sails. Since these models can be validated only with real test data under "earth" conditions, the process of modeling and the identification of uncertainty due to model assumptions and scope need to be closely considered. Sailcraft models that exist currently, are primarily focused on detailed physical representations at the component level, these are intended to support prototyping efforts. System level models that cut across different sail configurations and control concepts while maintaining a consistent approach are non-existent. Much effort has been focused on the areas of thrust performance, solar radiation prediction, and sail membrane behavior vis-a-vis their reflective geometry, such as wrinkling/folding/furling as it pertains to thrust prediction. A parallel effort has been conducted on developing usable models for developing attitude control systems (ACS), for different sail configurations in different regimes. There has been very little by way of a system wide exploration of the impact of the various control schemes, thrust prediction models for different sail configurations being considered.

Sarathy, Sriprakash↗

NASA Tech Briefs, August 2004

Topics covered include: Data Relay Board with Protocol for High-Speed, Free-Space Optical Communications; Software and Algorithms for Biomedical Image Data Processing and Visualization; Rapid Chemometric Filtering of Spectral Data; Prioritizing Scientific Data for Transmission; Determining Sizes of Particles in a Flow from DPIV Data; Faster Processing for Inverting GPS Occultation Data; FPGA-Based, Self-Checking, Fault-Tolerant Computers; Ultralow-Power Digital Correlator for Microwave Polarimetry; Grounding Headphones for Protection Against ESD; Lightweight Stacks of Direct Methanol Fuel Cells; Highly Efficient Vector-Inversion Pulse Generators; Estimating Basic Preliminary Design Performances of Aerospace Vehicles; Framework for Development of Object-Oriented Software; Analyzing Spacecraft Telecommunication Systems; Collaborative Planning of Robotic Exploration; Tools for Administration of a UNIX-Based Network; Preparing and Analyzing Iced Airfoils; Evaluating Performance of Components; Fuels Containing Methane of Natural Gas in Solution; Direct Electrolytic Deposition of Mats of MnxOy Nanowires; Bubble Eliminator Based on Centrifugal Flow; Inflatable Emergency Atmospheric-Entry Vehicles; Lightweight Deployable Mirrors with Tensegrity Supports; Centrifugal Adsorption Cartridge System; Ultrasonic Apparatus for Pulverizing Brittle Material; Transplanting Retinal Cells using Bucky Paper for Support; Using an Ultrasonic Instrument to Size Extravascular Bubbles; Coronagraphic Notch Filter for Raman Spectroscopy; On-the-Fly Mapping for Calibrating Directional Antennas; Working Fluids for Increasing Capacities of Heat Pipes; Computationally-Efficient Minimum-Time Aircraft Routes in the Presence of Winds; Liquid-Metal-Fed Pulsed Plasma Thrusters; Personal Radiation Protection System; and Attitude Control for a Solar-Sail Spacecraft.

Source record↗

Classic and Quantum Task-Based Intelligent Runtime for QIRs Running on Multiple QPUs

High-performance computing systems are rapidly evolving into heterogeneous platforms that fuse quantum accelerators with traditional classical processing units (CPUs) and graphical processing units (GPUs). This convergence calls for runtimes capable of managing both classical and quantum workloads in a unified manner. We introduce an intelligent, task-based runtime that marries the Intelligent RuntIme System (IRIS) asynchronous scheduler with a quantum programming stack through the Quantum Intermediate Representation Execution Engine (QIR-EE). Our design allows programs written in the quantum intermediate representation (QIR) to be dispatched concurrently to a variety of back-ends, including multiple quantum simulators and nascent quantum processors, enabling genuine hybrid execution on a single node. To illustrate its practicality, we partition a 4-qubit and 20-qubit circuit into three sub-circuits using quantum circuit cutting via the QCut library. Each sub-circuit is simulated independently by the QIR-EE driver within IRIS, after which a classical post-processing step merges the simulation results to recover the outcome of the original full-circuit computation. This case study demonstrates how finer task granularity can enable the parallel execution and lower the simulation burden per quantum task while preserving overall accuracy, highlighting the feasibility of our hybrid approach.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗

Computational Modeling of Molten Salt Infiltration and Oxidation in Nuclear Graphite

Graphite is utilized as a moderator and reflector in advanced nuclear reactor designs due to its high thermal conductivity, neutron moderation properties, and resistance to radiation damage. However, its longterm performance and reliability are challenged by degradation mechanisms such as molten salt infiltration in molten salt reactors (MSRs) and oxidation in gas-cooled reactors (GCRs). These mechanisms can compromise the structural integrity and operational lifetime of graphite components, necessitating a more detailed assessment of their physical behavior. This report focuses on the development of computational models for molten salt infiltration and oxidation of graphite to aid the design and performance analysis of graphite components. For molten salt infiltration, a computational framework is developed that couples incompressible Navier-Stokes and phase-field model to simulate the penetration of molten salt into graphite?s interconnected pore structure. Initial model verification is performed using two-phase flows in two dimensions, demonstrating the models ability to capture fundamental physical behavior and agree with analytical solution. This framework is then applied to a realistic IG110 nuclear graphite , where a computed tomography extracted pore geometry is used to analyse the infiltration behavior of FLiNaK molten salt. This model provides insights into how the microstructure and other relevant parameters influence the transport pathways of molten salt into graphite, potentially offering a means to rapidly evaluate a graphite grade?s resistance to infiltration. For oxidation, the report details pore-scale mass and heat transport models, describing the diffusion of gases, reaction kinetics, and thermal effects. Additionally, this report highlights inconsistencies in the existing volume-averaged macroscopic model, particularly in upscaling of reaction kinetics and flux terms, and surface to volume transformations. These inconsistencies suggest that current formulations may not accurately capture the experimentally observed graphite oxidation process, highlighting the need for improved model development. This work advances the development of physics-based computational models for graphite degradation, contributing to improved predictive models for next-generation nuclear reactor designs. Future efforts will focus on refining the infiltration model to address non-physical behaviors and enhance its robustness. Additionally, for oxidation, further studies will employ the principles of volume averaging to rigorously derive the upscaled equations, potentially in collaboration with subject matter experts.

Computational Modeling of Molten Salt Infiltration↗