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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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Laboratory Development of a Pot Calcination Process for Converting Liquid Wastes to Solids

Simulated Darex, Purex, Thorex, and TBP-25 wastes were batch-evaporated and calcined to solids. The weight of residue was decreased to ~ 8% of the original waste for Darex, to ~ 4% for Purex, to ~ 2% for Thorex, and ~ 7% for TBP-25 by calcination to 1200°C. Semicontinuous evaporation and calcination to solids at 900°C of Darex and Purex wastes gave volume reduction factors of ~ 8 and 7 to 10, respectively. The nitrate contents of the residues from batch calcination to 800°C were from ~ 0.07 to 0.5 wt % while the nitrate contents of the residues from semicontinuous calcination to 900°C were from ~ 0.1 to 0.7 wt %. Sodium, calcium, and magnesium additives to Purex waste decreased the percent of sulfate volatilized into the condensate from ~ 30% to <0.5%. Replacement of the atmosphere above the waste with nitric oxide decreased ruthenium volatility from 50 to 60% of that originally present in Purex waste to 0.5 to 3.5%. The thermal conductivities for the calcined wastes, measured in situ, were all >0.1 Btu/hr ft °F at ~ 400°F and increased almost linearly with increasing temperature to >0.3 Btu/hr ft °F at ~ 1600°F in all cases studied.

052001* -- Nuclear Fuels-- Waste Processing

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

stagnation heat flux

Thermochemically-Closed Sonic-Flow Inversion for Enthalpy and Temperature in Multispecies Arc-Jet Flows

A thermochemically-closed sonic-flow inversion framework (TSIF) is developed to infer bulk enthalpy and total temperature upstream of a choked nozzle in arc-jet flows. The formulation recasts a pressure-rise total enthalpy quantification technique as an inverse problem in characteristic-velocity c * space using measured mass flow rate, upstream total pressure, gas composition, and nozzle throat geometry as inputs. Unlike calorimetric energy-balance approaches or optical diagnostics, the method relies primarily on routinely measured facility quantities combined with explicit thermochemical closure. Thermochemical states are obtained using NASA’s open-source Chemical Equilibrium with Applications (CEA) code, enabling construction of a chemistry-consistent relation between characteristic velocity, total enthalpy, and total temperature under equilibrium or frozen assumptions. A discharge coefficient is self-calibrated using cold-flow (arc-off) operation data and applied to hot-flow (arc-on) measurements, enabling upstream losses to be accounted for without empirical correlations. The framework is applied to air, N 2 , and CO 2 –N 2 arc-jet flows and demonstrates expected trends for the inferred thermochemical states as function of arc power, specific energy input, mass-flow, heater configuration, and test gas. In the air limit, under equilibrium assumptions, the method recovers the classical high-enthalpy asymptotic correlation of Winovich with a mean residual of 4.4%, demonstrating compatibility with established sonic-flow scaling, while extending applicability to arbitrary multi-species mixtures and non-equilibrium chemistry. The framework provides a mixture-flexible methodology for determining bulk thermochemical states in modern arc-jet environments using routine facility pressure, mass-flow, gas-composition, and nozzle-geometry information together with a cold-flow calibration.

inviscid theory

Thermochemical Stability of Ca2Yb8(SiO4)6O2 Apatite in Presence of Molten Calcium-Magnesium-Aluminosilicate (CMAS)

Thermochemical stability of ytterbium silicon oxyapatite Ca 2 Yb 8 (SiO 4 ) 6 O 2 (CYbS) in the presence of molten calcium-magnesium aluminosilicate (CMAS) has been investigated at elevated temperatures for consideration as a thermal and environmental barrier coating (T/EBC) material. CYbS apatite powder was synthesized from the constituent oxides via a solid-state reaction method. Hot-pressed apatite substrates were exposed to molten CMAS at 1200, 1300, and 1400 °C for 1, 10, and 50 h. Development of phases in the interaction region of the heat-treated specimens was monitored using scanning electron microscopy, transmission electron microscopy, high-angle annular dark-field imaging, selected area electron diffraction, and energy dispersive x-ray spectroscopy. Monoclinic cyclosilicate Ca 3 Yb 2 (Si 3 O 9 ) 2 formed from interaction of CYbS apatite with CaO in the CMAS melt at the apatite-CMAS reaction front and continued to nucleate and grow within the residual CMAS in diffusion couples annealed for 1 to 50 h at 1200 °C as well as in those heat treated at 1300 °C for 1 h. Residual CMAS was depleted of Ca when cyclosilicate was present. Dendritic wollastonite (CaSiO3) was observed within the residual CMAS in couples annealed at 1200 and 1300 °C. Ingress of molten CMAS, because of its exponential decrease in viscosity, occurred through open pores and along the grain boundaries of the apatite substrates without any detectable chemical reaction at 1300 and 1400 °C. Results of this study indicate that Ca 2 Yb 8 (SiO 4 ) 6 O 2 apatite has the potential to mitigate the CMAS corrosion up to about 1200 °C but not at higher temperatures.

Narottam P Bansal

Application of Ibuprofen Sodium Dihydrate for Thermochemical Energy Storage

Thermochemical energy storage (TCES) offers a transformative approach to address grid instability by harnessing reversible chemical reactions for efficient heat storage and release. Here, we introduce pharmaceutical organic salt hydrates as a class of materials with exceptional performance for low-grade waste heat recovery. We demonstrate ibuprofen sodium dihydrate (ISD) as an example organic hydrate exhibiting a dehydration temperature range of 60-110 °C and a remarkable dehydration enthalpy of up to 59.5 kJ/mol of water, ideally suited for capturing industrial and residential waste heat. Using rigorous multimodal characterization, including thermogravimetric analysis, differential scanning calorimetry, in-situ FTIR, in-situ PXRD, and NMR, we demonstrate ISD's superior thermal, chemical, and structural stability over 150 hydration-dehydration cycles, achieving an unprecedented cycling efficiency of ~99.9%. Compared to conventional inorganic salt hydrates like strontium chloride hexahydrate and calcium oxalate monohydrate, ISD showcases enhanced durability without deliquescence or pulverization, even under high-humidity conditions. In-situ analyses confirm the transition from ISD to ibuprofen sodium anhydrous (ISA) proceeds with structural reorganization, thereby combining the dehydration mechanism with phase transitions, resulting in higher energy storage capacity. Microstructural analyses reveal that repeated water intercalation and structural transitions aid in creating significant porosity that enhances water transport kinetics, further improving the hydration/dehydration performance. By combining the phase change and chemical dehydration mechanisms, ISD paves the way for designing a new class of organic salt hydrates, offering tunable properties to meet diverse thermal energy storage demands and supporting sustainable grid resilience.

Thangaraj, Kavin C.

Radiation Temperature and Extinction of Transient Gaseous Diffusion Flames in Microgravity

The absence of buoyancy-induced flows in micro-g and the resulting increase in the reactant residence time significantly alters the fundamentals of many combustion processes. Substantial differences between 1-g and micro-g flames have been reported in experiments on candle flames, flame spread over solids, droplet combustion and others. These differences are more basic than just in the visible flame shape. Longer residence times and higher concentration of combustion products in the flame zone create a thermochemical environment which changes the flame chemistry and the heat and mass transfer processes. Processes such as flame radiation (and its interaction with flame chemistry), that are often ignored under normal gravity, become very important and sometimes even controlling. This is particularly true for conditions at extinction of a micro-g diffusion flame.

Arvind Atreya

Updates and Modernization of NASA’s Chemical Equilibrium with Applications (CEA) Code

NASA’s Chemical Equilibrium with Applications (CEA) code is a foundational tool for propulsion system analysis. It provides equilibrium chemistry, rocket performance, shock, and detonation calculations used across NASA and the broader aerospace community. NASA Engineering and Safety Center (NESC) Activity TI-22-01730 modernized the legacy CEA2 Fortran code into CEA v3, a Fortran 2008, object-oriented software package with expanded interface support, updated thermochemical data, improved maintainability, and substantially improved workflow integration. The modernized code preserves backward compatibility with legacy CEA input workflows while enabling direct use from modern analysis environments, including Python, C, MATLAB, and automated design studies.

Mark K Leader

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): Thermal Soak Rig (TSR)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility was purpose constructed to perform non-nuclear evaluations of nuclear thermal propulsion (NTP) system fuel materials and structures within prototypic thermochemical environments. This system has been utilized steadily in its ability to subject test specimens to thermochemical and thermohydraulic environments simulating that of an operating nuclear rocket engine. Fission heat is simulated by induction power and experiments are conducted within a ~1000 psi pressure vessel. Hydrogen is conventionally passed through the heated fuel surrogate test specimen while pressure, temperature, and gas species data are collected at various points along the experiment. In order to test fuel and material coupon samples, a class of test apparatus named “immersion rigs” are being developed and employed to more rapidly test these smaller and more technically challenging test specimen. One example of a promising potential fuel structure, Tristructural-isotropic (TRISO) particles, presents unique challenges for testing of this type. TRISO fuel micro-particles are spheroids typically on the order of 500 – 1000 μm in diameter, and exposing a batch sample to hot hydrogen requires purpose-built special test equipment. Thusly, an immersion rig was developed and successfully demonstrated to expose ~1 g of micro-particles to hydrogen gas at temperatures and pressures relevant to NTP systems for the purpose of fuel evaluation. The rig, comprised primarily of graphite and pure tungsten, houses in its core a batch of micro-particles between pucks of porous silicon carbide (SiC). This approach permits gas flow while simultaneously retaining the particles in place. Herein is a discussion of the design, analysis, fabrication, and testing of the NTREES Thermal Soak Rig (TSR).

Space Nuclear Propulsion

Updates and Modernization of the Chemical Equilibrium with Applications (CEA) Code

NASA’s Chemical Equilibrium with Applications (CEA) code is a foundational tool for propulsion system analysis. It provides equilibrium chemistry, rocket performance, shock, and detonation calculations used across NASA and the broader aerospace community. NASA Engineering and Safety Center (NESC) Activity TI-22-01730 modernized the legacy CEA2 Fortran code into CEA v3, a Fortran 2008, object-oriented software package with expanded interface support, updated thermochemical data, improved maintainability, and substantially improved workflow integration. The modernized code preserves backward compatibility with legacy CEA input workflows while enabling direct use from modern analysis environments, including Python, C, MATLAB, and automated design studies.

Combustion

Biochar–polymer composites for 3D printing: a review

Biochar, a bio-based co-product of biofuel production via thermochemical conversion, holds potential as a filler for polymer composites to reduce costs, improve thermomechanical properties, and aid in environmental remediation. 3D-printed biochar composites have received growing interest over the past few years but have experienced difficulties such as poor layer adhesion and nozzle clogging. Currently, no literature review examines 3D-printed biochar composites and related biochar properties in-depth. This work summarizes and discusses recent studies on 3D-printed polymer and biochar composites and examines their mechanical, thermal, and additional properties that result from each study. Technical challenges in printability, such as nozzle clogging from particle size and biochar aggregation, are also discussed. Furthermore, this work discusses the variability of biochar properties resulting from the pyrolysis conditions and feedstock choice in relation to potential 3D printing outcomes. In particular, several studies reported that high lignin feedstocks could be candidates for 3D printing. The post-processing approaches of the biochar via physical and chemical methods are also introduced. Ball milling appears to hold the most promise for physical treatments due to its tunability of particle size, surface area, and functional groups, while chemical treatments with acids or alkalis are used to tailor biochar porosity and wettability. Overall, it was determined that future research needs to be done relating biochar production and post-processing methods to resulting 3D printing parameters as the number of studies is limited.

Day, Rachel [Auburn University, Auburn, AL]

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes

Wide-ranging predictions of new stable compounds powered by recommendation engines

The computational search for new stable inorganic compounds is faster than ever, thanks to high-throughput density functional theory (DFT). However, stable compound searches remain highly expensive because of the enormous search space and the cost of DFT calculations. To aid these searches, recommendation engines have been developed. We conduct a systematic comparison of the performance of previously developed recommendation engines, specifically ones based on elemental substitution, data mining, and neural network prediction of formation enthalpy. After identifying ways to improve the recommendation engines, we find the neural network to be superior at recommending stable Heusler compounds. Armed with improved recommendation engines, we identify tens of thousands of compounds that are stable at zero temperature and pressure, now available in the Open Quantum Materials Database. We summarize this diverse pool of compounds, including the elusive mixed anion compounds, and two of their many applications: thermoelectricity and solar thermochemical fuel production.

Science & Technology - Other Topics

An Overview of Experiments and Modeling of Polysiloxane-Coated Thermal Protection Systems for Missions to Mars, Titan, and Beyond.

Phenolic Impregnated Carbon Ablator (PICA) gained heritage during the historic Stardust mission, where it successfully returned samples from a comet’s tail and has since been instrumental in delivering payloads to the surface of Mars [1-3]. Most recently, PICA enabled the safe return of samples collected from asteroid Bennu as part of the OSIRIS-REx mission. This rich legacy underscores PICA’s critical role in allowing NASA’s most ambitious exploration missions. However, the friable nature of its phenolic phase presents challenges during handling and pre-launch activities. To mitigate this issue, PICA is coated with a polysiloxane resin system, which serves to suppress particulate dispersion and thereby safeguard spacecraft components. A comprehensive understanding of the polysiloxane resin’s behavior is imperative, as it profoundly shapes the material response of PICA during atmospheric entry by influencing its thermal and oxidative stability. This influence extends to thermocouple plugs embedded within thermal protection systems. These plugs have demonstrated their significance in missions such as Mars Science Laboratory (MSL) and Mars 2020, where the MEDLI and MEDLI2 instrumentation suites delivered in-valuable insights into the performance of thermal protection systems during entry into the Martian atmosphere [4]. Looking ahead, missions such as Dragonfly, set to descend into Titan’s dense atmosphere, aim to leverage advanced sensor technologies to further refine our understanding of thermal protection response [5]. Moreover, thermocouple plugs play an essential role in validating cutting-edge material response models, such as those pioneered under NASA’s Entry Systems Modeling Project (ESM), designed, in-part, to predict the operational integrity of thermal protection systems under the extreme stresses of atmospheric entry. To achieve these modeling goals, ground-based experiments are crucial to provide the foundational data necessary for developing and refining these predictive tools. To this end, an extensive test campaign was conducted at the Hypersonic Materials Environmental Test System (HyMETS) to investigate the high-temperature behavior of the polysiloxane resin in an air environment [6]. These experiments revealed critical phenomena, including the formation of a silicon oxycarbide layer that enhances oxidation resistance, moderates surface temperatures, and alters in-depth thermal response. Building on these findings, subsequent tests were designed to simulate atmospheric entry conditions in reactive gases, such as CO2 and N2, to mimic the environments of Mars and Titan, respectively, as well as non-reactive gases representing the atmospheres of the Ice Giants (Neptune and Uranus). A heating rate dependent decomposition mechanism has been identified for the polysiloxane resin under oxidizing conditions (Fig. 1). In the initial stage, the resin and the underlying thermal protection system undergo pyrolysis, rapidly generating a thin amorphous silicon oxycarbide interwoven with carbonaceous char and residual fibers from PICA. During the second stage, the nascent oxide layer establishes a robust, oxidation-resistant thermal barrier coating, which significantly impedes heat transfer to the underlying carbonaceous char, resulting in a stagnation of the surface temperature. A key factor contributing to this thermal resistance is the low recombination efficiency of atomic oxygen (γ), which further diminishes the heat load on the material’s interior layers [7]. Moreover, as the surface temperature stagnates, the silicon oxycarbide phase separates into distinct regions of silica and free graphite. Ultimately, when the heat flux reaches a critical threshold, a third stage is triggered, leading to the breakdown of the coating through carbothermal reduction, exposing the underlying char layer. This exposure leads to a dramatic surface temperature spike, driven by highly exothermic reactions between atomic oxygen and the char layer, further accelerating material degradation. A detailed mass and heat transfer model of PICA coated with polysiloxane resin was implemented in the Porous material Analysis Toolbox based on OpenFOAM, PATO [8]. The initial stage was considered negligible in this model because the resin decomposition occurs rapidly within a thin surface layer. Instead, the coating was directly considered as an oxygen-resistant thermal barrier coating. For the second stage, the thin amorphous silicon oxycarbide was treated as a pure silica surface to simplify the thermochemical behavior. The model ac-counts for surface equilibrium processes using representative elements of the coating-environment system. For the third stage, specific boundary conditions were developed to estimate the onset and progression of the coating removal. Two-dimensional material response simulations were conducted to compare uncoated and coated PICA using boundary conditions calibrated with HyMETS data. Fig. 2 illustrates that the simulations closely align with experimental data, successfully reproducing measured temperature profiles. This work will include the latest advancements in the coating model, including the calibration of recombination of atomic oxygen at the surface during the second phase. These simulated results will be further validated against additional CO2 data points from HyMETS, reinforcing the models’ predictive capabilities. These mechanisms and their effects on thermal protection systems, including thermochemical behavior and thermocouple probe performance in extreme environments, provide crucial insights for optimizing spacecraft designs that safeguard scientific payload and ensure mission success in future planetary exploration endeavors.

Active Oxidation