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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 19 records

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NASA NTRS1993

Characterizing droplet combustion of pure and multi-component liquid fuels in a microgravity environment

The importance of understanding the effects of fuel composition, length scales, and other parameters on the combustion of liquid fuels has motivated the examination of simple flames which have easily characterized flow fields and hence, the potential of being modeled accurately. One such flame for liquid fuel combustion is the spherically symmetric droplet flame which can be achieved in an environment with sufficiently low gravity (i.e., low buoyancy). To examine fundamental characteristics of spherically symmetric droplet combustion, a drop tower facility has been employed to provide a microgravity environment to study droplet combustion. This paper gives a brief review of results obtained over the past three years under NASA sponsorship (grant NAG3-987).

Jackson, Gregory S.↗

DOE OSTI2025

Developing Open-Source Tools for Increasing the Efficiency of Synthetic Aviation Turbine Fuel Certification Process

FuelLib is an open-source Python-based fuel library, developed by NREL, that leverages the group contribution method (GCM) of [1] to systematically estimate the thermodynamic and transport properties of hydrocarbon fuels. FuelLib predicts these properties based on the molecular structure of individual compounds or compound families, using weight percentages of a fuel's composition, typically measured using techniques such as gas chromatography (GC). FuelLib enables property estimation over a wide range of temperatures and pressures of multi-component fuels in the absence of detailed molecular composition data, making it particularly valuable for complex fuel mixtures where detailed experimental characterization of fuel composition is unavailable. These capabilities contribute directly to synthetic aviation turbine fuels (SATF) development, supporting the short-term American Society for Testing and Materials (ASTM) qualification of drop-in fuels while potentially expanding ASTM boundaries to certify a broader range of fuels.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

CFD unified approach under Eulerian–Lagrangian framework for methanol and gasoline direct injection sprays in evaporative and flash boiling conditions

Innovative synthetic fuels for advanced propulsion systems, such as methanol and ammonia, and synthetic blended fuels (E00, E10, and E30), known for their high volatility, are often injected directly into combustion chambers. It follows that Eulerian–Lagrangian spray models need to accurately capture the spray collapse as a consequence of flash boiling onset and be capable of proficiently handling the preferential evaporation of multi-component fuels in evaporative scenarios. So, we performed the assessment of an Eulerian–Lagrangian CFD code for simulating methanol and E00 gasoline blend sprays in both early and late injection conditions involving flash boiling conditions and preferential evaporation. The adoption of an effervescent breakup model and of a non-equilibrium phase transition model for the discrete phase allows the adoption of a setup that is almost completely free from specific constant tuning, especially for what concerns the breakup model. We validated the simulations using experimental PLV maps of methanol and E00 sprays issued from the ECN Spray M injector. The results highlight a significantly different morphology of the methanol spray compared to the E00 one under late injection conditions. Under stratified combustion, low-volatile fuels are likely to be ignited first, and the flame propagates toward the high-volatile fuels. In conclusion, the spray collapse was also correctly reproduced, inducing the presence of a low-pressure zone and modifying the spray morphology.

E00↗

NASA NTRS1992

Three-dimensional modeling of diesel engine intake flow, combustion and emissions

A three-dimensional computer code (KIVA) is being modified to include state-of-the-art submodels for diesel engine flow and combustion: spray atomization, drop breakup/coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, soot and radiation, and the intake flow process. Improved and/or new submodels which were completed are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops. Results to date show that adding the effects of unsteadiness and compressibility improves the accuracy of heat transfer predictions; spray drop rebound can occur from walls at low impingement velocities (e.g., in cold-starting); larger spray drops are formed at the nozzle due to the influence of vaporization on the atomization process; a laminar-and-turbulent characteristic time combustion model has the flexibility to match measured engine combustion data over a wide range of operating conditions; and finally, the characteristic time combustion model can also be extended to allow predictions of ignition. The accuracy of the predictions is being assessed by comparisons with available measurements. Additional supporting experiments are also described briefly. To date, comparisons with measured engine cylinder pressure and heat flux data were made for homogeneous charge, spark-ignited and compression-ignited engines. The model results are in good agreement with the experiments.

Reitz, R. D.↗

DOE OSTI2025

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗

NASA NTRS1999

Initial Observations on the Burning of an Ethanol Droplet in Microgravity

Combustion of liquid ethanol represents an important system both from fundamental and practical points of view, Ethanol is currently being used as an additive to gasoline in order to reduce carbon monoxide and particulate emissions as well as to improve the fuel octane rating. A detailed physical understanding of liquid ethanol combustion is therefore necessary to achieve an optimal performance of such fuel blends in practical conditions. Ethanol is also a relatively simple model compound suitable for investigation of important combustion characteristics typical of more complex fuels. In particular, ethanol has been proposed for studies of sooting behavior during droplet burning. The sooting nature of ethanol has pressure sensitivities similar to that of n-heptane, but shifted to a higher range of pressures (1-3 atm). Additionally, liquid ethanol is miscible with water produced during its combustion forming mixtures with azeotropic behavior, a phenomenon important for understanding multi-component, liquid fuel combustion. In this work, we present initial results obtained in a series of recent space-based experiments and develop a detailed model describing the burning of ethanol droplet in microgravity.

Kazakov, Andrei↗

DOE OSTI2025

Dusty Gas Model for Solid Oxide Fuel Cell Fuel Electrode

This model applies the Dusty Gas Model simulate multi-component species transport in SOFC (solid oxide fuel cell) anodes which considers the pressure gradient across the fuel electrode. This studyhas been verified with the analytical solution for different fuel electrode thicknesses and with literature values. The model was developed using the VoronoiFVM platform in Julia which is a built in implicit and semi implicit solver that integrates electrochemical behavior, microstructural effects, and transient analysis for accurate prediction of species transport under varying conditions.

dusty gas model (DGM)↗

NASA NTRS2003

Advanced Multi-Component Defect Cluster Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

The advantages of using ceramic thermal barrier coatings in gas turbine engine hot sections include increased fuel efficiency and improved engine reliability. However, current thermal barrier coatings will not have the low thermal conductivity and necessary sintering resistance under higher operating temperatures and thermal gradients required by future advanced ultra efficient and low emission aircraft engines. In this paper, a novel oxide defect cluster design approach is described for achieving low thermal conductivity and excellent thermal stability of the thermal barrier coating systems. This approach utilizes multi-component rare earth and other metal cluster oxide dopants that are incorporated in the zirconia-yttna based systems, thus significantly reducing coating thermal conductivity and sintering resistance by effectively promoting the formation of thermodynamically stable, essentially immobile defect clusters and/or nanoscale phases. The performance of selected plasma-sprayed cluster oxide thermal barrier coating systems has been evaluated. The advanced multi-component thermal barrier coating systems were found to have significantly lower initial and long-term thermal conductivities, and better high temperature stability. The effect of oxide cluster dopants on coating thermal conductivity, sintering resistance, oxide grain growth behavior and durability will be discussed.

Zhu, Dongming↗

NASA NTRS1990

Advanced Multi-Component Defect Cluster Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

The advantages of using ceramic thermal barrier coatings in gas turbine engine hot sections include increased fuel efficiency and improved engine reliability. However, current thermal barrier coatings will not have the low thermal conductivity and necessary sintering resistance under higher operating temperatures and thermal gradients required by future advanced ultra-efficient and low-emission aircraft engines. In this paper, a novel oxide defect cluster design approach is described for achieving low thermal conductivity and excellent thermal stability of the thermal barrier coating systems. This approach utilizes multi-component rare earth and other metal cluster oxide dopants that are incorporated in the zirconia-yttria based systems, thus significantly reducing coating thermal conductivity and sintering resistance by effectively promoting the formation of thermodynamically stable, essentially immobile defect clusters and/or nanoscale phases. The performance of selected plasma-sprayed cluster oxide thermal barrier coating systems has been evaluated. The advanced multi-component thermal barrier coating systems were found to have significantly lower initial and long-term thermal conductivities, and better high temperature stability. The effect of oxide cluster dopants on coating thermal conductivity, sintering resistance, oxide grain growth behavior and durability will be discussed.

Zhu, Dongming↗

NASA NTRS1974

Forced vibrations of multi-component compliant tanks and feedlines

An analytical and experimental research program was performed to investigate the effects of flexible tanks and lines and the total system dynamic response of a simple physical system which had some of the essential features of a liquid-fueled launch vehicle. Several vessel-wall materials were used to obtain a range of elastic moduli. Water was used to simulate the fuel and an electromagnetic shaker provided external excitation such as might originate from a rocket-propulsion system. Experimental data were compared to values obtained from mathematical models for the many degree-of-freedom lumped-mass representation.

Smith, H. W.↗

NASA NTRS2008

Advanced Low Conductivity Thermal Barrier Coatings: Performance and Future Directions (Invited paper)

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future engine higher fuel efficiency and lower emission goals. In this presentation, thermal barrier coating development considerations and performance will be emphasized. Advanced thermal barrier coatings have been developed using a multi-component defect clustering approach, and shown to have improved thermal stability and lower conductivity. The coating systems have been demonstrated for high temperature combustor applications. For thermal barrier coatings designed for turbine airfoil applications, further improved erosion and impact resistance are crucial for engine performance and durability. Erosion resistant thermal barrier coatings are being developed, with a current emphasis on the toughness improvements using a combined rare earth- and transition metal-oxide doping approach. The performance of the toughened thermal barrier coatings has been evaluated in burner rig and laser heat-flux rig simulated engine erosion and thermal gradient environments. The results have shown that the coating composition optimizations can effectively improve the erosion and impact resistance of the coating systems, while maintaining low thermal conductivity and cyclic durability. The erosion, impact and high heat-flux damage mechanisms of the thermal barrier coatings will also be described.

Zhu, Dongming↗

NASA NTRS2008

Advanced Low Conductivity Thermal Barrier Coatings: Performance and Future Directions

Zhu, Dongming↗

NASA NTRS2003

The statistical modeling of multicomponent-fuel drop evaporation for fuels containing a multitude of species

A statistical formulation is described portraying the composition in an evaporating multi-component-fuel liquid drop and in the gas phase surrounding it.

multi-component drop modeling↗

NASA NTRS2003

Advanced Signal Processing for Integrated LES-RANS Simulations: Anti-aliasing Filters

Currently, a wide variety of flow phenomena are addressed with numerical simulations. Many flow solvers are optimized to simulate a limited spectrum of flow effects effectively, such as single parts of a flow system, but are either inadequate or too expensive to be applied to a very complex problem. As an example, the flow through a gas turbine can be considered. In the compressor and the turbine section, the flow solver has to be able to handle the moving blades, model the wall turbulence, and predict the pressure and density distribution properly. This can be done by a flow solver based on the Reynolds-Averaged Navier-Stokes (RANS) approach. On the other hand, the flow in the combustion chamber is governed by large scale turbulence, chemical reactions, and the presence of fuel spray. Experience shows that these phenomena require an unsteady approach. Hence, for the combustor, the use of a Large Eddy Simulation (LES) flow solver is desirable. While many design problems of a single flow passage can be addressed by separate computations, only the simultaneous computation of all parts can guarantee the proper prediction of multi-component phenomena, such as compressor/combustor instability and combustor/turbine hot-streak migration. Therefore, a promising strategy to perform full aero-thermal simulations of gas-turbine engines is the use of a RANS flow solver for the compressor sections, an LES flow solver for the combustor, and again a RANS flow solver for the turbine section.

Schlueter, J. U.↗

NASA NTRS2005

Low Conductivity Thermal Barrier Coatings

Zhu, Dong-Ming↗

DOE OSTI2026

HTGR Multiphysics Application Drivers FY26 Updates

This report summarizes FY26 progress under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program's high-temperature gas-cooled reactor (HTGR) application driver work, covering a wide range of activities such as code validation and multi-physics code assessment. 1) A detailed SAM model of the High-Temperature Engineering Test Reactor (HTTR) was developed using a unique-block grouping approach, with an extended parallel thermal network method to capture block-to-block conduction and radiation heat transfer, and applied to steady-state simulations of the HTTR 30~MW and 9~MW cases. 2) In another activity, SAM's newly implemented multi-component gas flow model was validated against the Natural convection Shutdown heat removal Test Facility (NSTF) argon ingress experiment, correctly capturing the density-driven suppression and thermal recovery of natural circulation observed when argon is introduced into the air-cooled Reactor Cavity Cooling System (RCCS) loop. 3) For the OECD/NEA High Temperature Test Facility (HTTF) benchmark, we co-led the international benchmark activities as well as the OECD/NEA final benchmark report to be released at the end of this year. 4) Finally, the coupled Griffin-SAM modeling capability for pebble-bed HTGRs was advanced by verifying the Griffin neutronics solution against Serpent Monte Carlo for a realistic non-uniform temperature distribution, resolving several deficiencies in the SAM-to-Griffin temperature transfer scheme, and enabling distinct fuel kernel, moderator, and coolant temperatures for cross section feedback. These new features were demonstrated in a PBR load-following transient.

Lee, Alvin↗

DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗

DOE OSTI2025

FY24 Task 4: Studies of Phosphate and Fluoride Solubility for Dissolution of High Phosphate Tank Waste

Knowledge gaps have been identified in phosphate solubility in almost every single- and multi-component system, and particularly for aluminate in phosphate/hydroxide, where uncertainties in predicted values of aluminum solubility are greater than 50%. Solubility data of multicomponent, aqueous electrolytes containing sodium hydroxide, sodium fluoride, sodium phosphate, sodium nitrite, sodium nitrate, and dissolved gibbsite are also sparse. For example, for solutions of (i) sodium nitrate and sodium phosphate, data are only available at 30 and 50 °C, and for (ii) dissolved gibbsite in sodium hydroxide and sodium phosphate, only two data points are available at 20 and 40 °C. There is no data available on mixtures of sodium hydroxide, sodium phosphate, sodium fluoride, and dissolved gibbsite. These knowledge gaps were identified in a technical review of waste solubility data and the impact of dilution on solution stabilities and will be addressed in this work to predict aluminum hydroxide and sodium phosphate solubility in multicomponent electrolytes upon dilution, and upon variation of temperature. Results will provide the technical basis to develop accurate models for (i) gibbsite solubility and mass transfer of aluminum between solid and liquid forms following the sluicing of sludge and saltcake with water; and (ii) further blending of these suspensions with bismuth from bismuth phosphate waste, and zirconium and uranium left from the fuel decladding. This work will be essential to developing a disposition path for retrieval solutions from bismuth phosphate wastes. This effort would also support sludge washing to further reduce phosphate concentration if that process were to be added back to the flowsheet in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗