Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “configuration mixing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Development of Test Protocols for International Space Station Particulate Filters

Air quality control on the International Space Station (ISS) is a vital requirement for maintaining a clean environment for the crew and the hardware. This becomes a serious challenge in pressurized space compartments since no outside air ventilation is possible, and a larger particulate load is imposed on the filtration system due to lack of gravitational settling. The ISS Environmental Control and Life Support System (ECLSS) uses a filtration system that has been in use for over 14 years and has proven to meet this challenge. The heart of this system is a traditional High-Efficiency Particulate Air (HEPA) filter configured to interface with the rest of the life support elements and provide effective cabin filtration. The filter element for this system has a non-standard cross-section with a length-to-width ratio (LW) of 6.6. A filter test setup was designed and built to meet industry testing standards. A CFD analysis was performed to initially determine the optimal duct geometry and flow configuration. Both a screen and flow straighter were added to the test duct design to improve flow uniformity and face velocity profiles were subsequently measured to confirm. Flow quality and aerosol mixing assessments show that the duct flow is satisfactory for the intended leak testing. Preliminary leak testing was performed on two different ISS filters, one with known perforations and one with limited use, and results confirmed that the testing methods and photometer instrument are sensitive enough to detect and locate compromised sections of an ISS BFE.Given the engineering constraints in designing spacecraft life support systems, it is anticipated that non-industry standard filters will be required in future designs. This work is focused on developing test protocols for testing the ISS BFE filters, but the methodology is general enough to be extended to other present and future spacecraft filters. These techniques for characterizing the test duct and perform leak testing can be applied to conducting acceptance testing and inventory testing for future manned exploration programs with air revitalization filtration needs, possibly even for in-situ filter element integrity testing for extensively long-duration missions. We plan to address the unique needs for test protocols for crewed spacecraft particulate filters by preparing the initial version of a standard, to be documented as a NASA Technical Memorandum (TM).

Filtration↗
NASA NTRSDate not supplied

Time-Resolved OH-PLIF Assessment of Deflagrations Levels in a CH4-O2 Rotating Detonation Rocket Combustor

The parasitic loss incurred by deflagrative pre-burning is considered to be one of the key challenges to the effective implementation of rotating detonation engine (RDE) systems. Thus far, there have been relatively limited high fidelity, spatio-temporally resolved measurements of the pre-burning process as a function of the reactant conditions and composition within an RDE. In this work, simultaneous high-repetition-rate broadband OH* chemiluminescence and OH planar laser-induced fluorescence (PLIF) imaging are employed to investigate deflagrative burning dynamics in a fully optically accessible CH4-O2 RDE as compared to a H2-air systems under the same conditions. A custom-built optical parametric oscillator (OPO) is coupled with a high-repetition-rate burst-mode laser to generate the 284 nm source for the excitation of the Q1(9) transition of the OH radical. Significant deflagrative burning is observed throughout the chamber as a consequence of the oxygen-rich environment. Trailing wave systems that consume unburned reactants in the region immediately following the primary detonation wave are observed. The formation of a product gas recirculation zone that entrains and combusts incoming reactants is observed, and quantitative analysis is performed to gain valuable insight into deflagration characteristics. At an oxidizer mass flux of Gox ≈ 350kg/m2/s, it is found that the levels of pre-wave burning in CH4-O2 are a factor of ∼2-3 times higher than in H2-air in the region directly ahead of the detonation wave at a global equivalence ratio Φ ≈ 1.0. This study highlights the key roles of ignition delay and turbulent mixing of the combustion product and reactant fields on the levels of pre-burning and establishes a methodology for further investigation, such as for the effects of various RDE inlet configurations.

Propulsion↗
DOE OSTI2024

Water separator for hydrogen steam injected turbine engine

A propulsion system for an aircraft includes a core engine that includes a core flow path where air is compressed in a compressor section, communicated to a combustor section, mixed with a hydrogen based fuel and ignited to generate a core gas flow that is expanded through a turbine section. The propulsion system includes a hydrogen fuel system that is configured to supply hydrogen fuel to the combustor through a fuel flow path, a condenser that is arranged along the core flow path and configured to condense water within the core gas flow, and a separator that includes an inlet, a primary water outlet and an exit that includes a plurality of exit guide vanes for straightening the core gas flow that proceeds through the exit. The exit guide vanes include a secondary water outlet for removing condensed water in the core gas flow that proceeds through the exit.

Terwilliger, Neil J.↗
DOE OSTI2022

Tuning the Structural and Magnetic Properties in Mixed Cation Mn x Co 2– x P 2 S 6

The metal thiophosphates (MTP), M 2 P 2 S 6, are a versatile class of van der Waals materials, which are notable for the possibility of tuning their magnetic properties with the incorporation of different transition-metal cations. Further, they also offer opportunities to probe the independent and synergistic role of the magnetically active cation sublattice when coupled to P 2 Q 6 polyhedra. Herein, we report the structural, magnetic, and electronic properties of the series of MTPs, Mn x Co 2– x P 2 S 6 ( x = 0.25, 0.5, 1, 1.5, 1.75) synthesized by the P 2 S 5 flux method. In this work, structural and elemental analysis indicates a homogeneous stoichiometry in the Mn x Co 2– x P 2 S 6 compounds. We observe that a correlation is apparent between the intensities of specific Raman modes and Raman shifts with respect to the alloying ratio between Mn and Co. Magnetic susceptibility measurements indicate that the alloyed systems adopt an ordered antiferromagnetic (AFM) configuration with a dependence of the Néel temperature on the alloying ratio. A possible magnetic frustration behavior was observed for the composition MnCoP 2 S 6 due to magnetic moment compensation as the alloying ratio between Mn and Co approaches parity. Interestingly, mixed oxidation states of the metal cation species are also observed in Mn x Co 2– x P 2 S 6 along with a linear dependence of the work function on the alloying ratio of Mn and Co.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Development of prechamber enabled mixing-controlled combustion strategy for ultra-low methane emissions from lean burn natural gas engines

This numerical study explores the optimization of Prechamber Enabled Mixing-Controlled Combustion (PC-MCC) using natural gas in heavy-duty engines, aiming to enhance combustion efficiency to minimize methane slip and NOx emissions. The approach involves a prechamber ignition system, distinct from conventional spark ignition (SI) systems, to initiate combustion of direct injected natural gas. By leveraging the robust ignition characteristics of the prechamber, the PC-MCC method demonstrates significant potential in achieving efficient combustion akin to diesel engines but with lower greenhouse gas emissions. The research evaluates the effects of various geometric and operational parameters on the combustion process and emissions, including prechamber volume, nozzle diameter, direct injector (DI) geometry, and engine operating strategies. Computational Fluid Dynamics (CFD) simulations are utilized, focusing on a heavy-duty, single-cylinder engine modeled after the Caterpillar C9.3B engine. Key findings indicate that a prechamber volume of 3 cc, coupled with a nozzle diameter of 2.75 mm for two prechamber holes, strikes an optimal balance between combustion efficiency and emissions reduction. This configuration ensures robust combustion across a range of operating conditions while maintaining methane slip within targeted limits. Further investigation into DI geometry shows the significance of the injector umbrella angle and nozzle diameter in shaping the fuel-air mixing and combustion dynamics. An umbrella angle of 130° and a nozzle diameter of 300 microns are identified as optimal, promoting rapid and efficient combustion with minimized methane and NOx emissions. The study also investigates the impact of injection timing and pressure, highlighting their roles in controlling combustion timing and influencing emissions levels. Advanced injection timing is found to be crucial in achieving the desired low methane slip, whereas retarded injection timing assists to reduce NOx emissions while having a slight increase in methane emissions. Operating strategies incorporating various levels of Exhaust Gas Recirculation (EGR) are assessed for their effectiveness in further reducing emissions. The research demonstrates that a judicious combination of internal hot EGR and careful calibration of DI pressure and SOI timing can achieve significant reductions in NOx emissions while keeping methane slip under control. Specifically, an internal EGR level of 15%–25%, combined with DI pressures of 200–300 bar and injection timings at or after top dead center, is recommended. These findings contribute valuable insights into the development of advanced combustion techniques for natural gas engines, offering a viable pathway to reduce methane slip without compromising engine efficiency or performance. The PC-MCC system presents a promising solution for the future of heavy-duty natural gas engine technology to reduce methane emissions.

Nsaif, Osama↗
DOE OSTI2021

Atomic-Scale Observation of O1 Faulted Phase-Induced Deactivation of LiNiO 2 at High Voltage

LiNiO 2 and cobalt-free ultrahigh-Ni content cathodes suffer from rapid capacity loss and severe chemomechanical degradation, especially when operated at high voltages. Here, by cycling LiNiO 2 up to 4.7 V, we report the atomic-scale observation of O1 faulted phase-induced deactivation of LiNiO 2 . We found that although a thin layer of O3 phase forms on the particle surface by reversible O3 → O1 transformation during discharge, the bulk interior still maintains the O1 faulted phase, leading to rapid capacity loss of LiNiO 2 . Moreover, the atomic configuration of the O1/O3 interface is investigated comprehensively. We found that the misfit along the c axes of the O1 and O3 phases results in the formation of misfit dislocations, whereby cation mixing is promoted at dislocation cores. Further, a transition zone with continuous shear along the a-b plane is uncovered between the O1 and O3 phases for the first time. Besides, severe oxygen loss-induced pore formation and concurrent rock salt transformation are also identified.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Paramagnetic Properties of Rare Earth Hydroxides, Oxalates, and Dibutyl Phosphates

Magnetic separations present a promising approach for the recovery of rare earth (RE) elements from mixtures, particularly when coupled with precipitation techniques that enhance process efficiency and selectivity. However, the magnetic properties of RE materials typically encountered in the separations industry are not well characterized. Here, we synthesized a series of RE materials, combining four REs – praseodymium (Pr), neodymium (Nd), terbium (Tb), and dysprosium (Dy) – with three precipitating agents – hydroxide, oxalate, and dibutyl phosphate. All materials showed typical paramagnetic behavior consistent with the Curie-Weiss law. At low temperatures, we observed weak antiferromagnetic correlations, which were more pronounced for the lighter RE ions (Pr, Nd). Particle morphology and crystallography analyses showed that the dibutyl phosphates were well-ordered metal-organic frameworks, the oxalates were crystals with mixed hydration states, and the hydroxides were mostly amorphous. Regardless of the degree of crystallinity, the effective magnetic moments aligned well with theoretical estimates based on Hund's rules and 4f electron configurations of the corresponding RE ions. For a given RE ion, the magnetophoretic response was thus determined by the size of the particles rather than specific metal-ligand coupling, with dibutyl phosphate promoting the formation of larger crystals that were the most strongly attracted to magnets.

Wang, Qingpu (ORCID:0000000156041571)↗
DOE OSTI2022

Plasma Wall Interaction with 3-D Plasma Boundaries

The interaction of the edge plasma and the material surfaces is one of the most critical challenges on the path to harness fusion power as new, fundamental energy source. This challenge typically combines the thrust to reach high density, low temperature (detached) plasmas in front of the divertor target plates as well as understanding the plasma material interaction (PMI) in particular in this regime. The combination of both research thrusts represents an extraordinarily challenging subject encompassing spatial scales spanning nanometers to meters in all states of matter and across a broad energy range. Modeling capabilities, which help to interpret data from nowadays experiments and enable extrapolation to future devices are urgently required. This is in particular true for toroidal magnetic confinement devices with three-dimensional (3D) plasma boundaries. Such plasma boundary geometries occur in tokamaks, when small amplitude magnetic perturbations are used to stabilize the unruly edge plasma or in stellarators, that are inherently 3D plasma confinement devices. In this project, the impact of 3D plasma boundaries on the plasma material interaction (PMI) was assessed. This work focused on plasma boundary conditions, in which high-density conditions at the material surfaces yield mitigation of the otherwise immense heat and particle loads that these materials would see. These so-called high recycling and eventually detached plasma regimes are of great interest for future reactor operation. In the project, key features that are unique to 3D boundaries were explored in comparison to canonically assumed axisymmetric plasma edge situations in tokamaks. In particular, the relevance of the 3D boundary situation in the extrapolation to the plasma boundary solution at ITER, the next step fusion energy experiment under construction as a multi-national, world-wide large-science experiment in southern France, has been explored. The EMC3-EIRENE plasma edge fluid and kinetic neutral transport code has been advanced to cope with the challenging and unprecedented conditions in the ITER boundary plasma including 3D fields that are planned to be used to suppress harmful edge instabilities, the so-called edge localized modes. This is a vital integration challenge for ITER and the results from this grant have provide a leading capability for this assessment. It was shown that the detachment process in a 3D edge solution for ITER follows the recycling regimes that are known from axisymmetric solutions, but that multiple plasma exhaust channels connected to the material surfaces are established which feature individual recycling characteristics. Because these channels touch the material surfaces in the divertor in a 3D geometry, the compatibility with the plasma material interaction (PMI), including erosion and impurity generation has been found to be an important part of the integration challenge. To address this, the fully 3D plasma material interaction code ERO2 has been adapted to these ITER specific geometries and a homogeneous mixing model was implemented, that allows to consider the mixing of Be and Was used at ITER in the PMI modeling. This model enhancement has been used to study non-local migration of Be in the JET ITER like wall configuration and it has been shown that with this model such complex migration processes in ITER relevant plasma shapes and with ITER relevant plasma boundary conditions can be addressed. The combined modeling approach using EMC3-EIRENE as a plasma boundary transport code and the ERO2 specialized PMI model will be an asset for the continued preparations of ITER operation as well as for Fusion Pilot Plant efforts that have emerged in the U.S. during the evolution of this grant. The predictive capability of this numerical tool has been validated at the DIII-D US national fusion facility. Here, dedicated plasma edge diagnostics were implemented to measure the impurity household around a 3D edge plasma during ELM suppression by 3D fields. Dedicated experiments with local material probes using these diagnostics and the state-of-the-art suite of boundary measurements at DIII-D have shown that the 3D perturbation of the plasma edge that is excreted by such 3D control fields yield a perturbation of the plasma boundary flux structure and hence also of the resulting PMI. The 3D boundary plasma is composed out of helical magnetic flux channels that intersect the divertor targets at an angle relative to the main guiding field, i.e., the toroidal magnetic field component of the tokamak. A similar effect has been measured as well on limiter surfaces during the startup campaign at the new stellarator experiment Wendelstein 7-X. These experiments ad initial analysis with the ERO plasma material interaction model, suggested that the place of erosion for a given particle from the surface and its re-deposition can be different in such 3D field geometries yielding potentially a significant level of net-erosion. This is not the case for axisymmetric solutions, where it was shown in the past that the eroded particles are effectively re-deposited into gaps produced by erosion at the same position and hence the net-erosion levels are small. For ITER, the quest to suppress the ELMs and at the same time maintain the integrity of the divertor is an issue, which these fundamental findings will help to resolve. The coupling of this work to the extrapolation in the ITER program has been addressed by both the PI and the lead numerical scientist being ITER Science Fellows in the duration of the contract and forward. A second focus in the exploration of 3D boundary effects on tokamaks and stellarators has been set on the measurement of helium exhaust features with such 3D fields. This is important because He represents the ash of the fusion process and needs to be exhausted. It was shown that 3D field application compatible with suppression of ELMs yields an increase of the helium exhaust performance. The ratio of the effective helium confinement time over the energy confinement time was reduced by almost 50% which demonstrated that the impact of helium accumulation in the plasma core with respect to the confinement of energy to sustain the fusion reaction is significantly improved with such 3D control fields. It was shown that this is the case for tokamaks as well as stellarators. At the Large helical Device in Japan, a similar enhancement of the helium exhaust features when small amplitude additional 3D fields were applied was measured. This is an important additional function of 3D field application and its impact on ITER is presently being studied in combination with investigations of helium exhaust in 3D field geometries of stellarator devices.

3D plasma edge transport↗
NASA NTRS1987

Multiple dipole eddies in the Alaska Coastal Current detected with Landsat thematic mapper data

Seventeen dipole eddies, including five large, well-formed ones, three second-generation eddies, and two double eddies, were observed in the Alaska Coastal Current near Kayak Island in one single scene of the Landsat thematic mapper (TM) on April 22, l985. The digital Landsat TM satellite data were computer analyzed to extract details in the near coastal circulation in the northern Gulf of Alaska. Enhancement techniques were applied to the visible and thermal IR bands. The features are evident only in the visible bands because of the ability of these bands to detect the distribution of sediments in the near surface. These eddies did not have a significant thermal signature.The sources of these sediments are the glacial streams found throughout the Gulf of Alaska coast. Eddies of this configuration and frequency have never been observed here previously. However, the oceanographic and meteorological conditions are typical for this time of year. These eddies should be important to the cross-shelf mixing processes in the Alaska Coastal Current and are an indicator that the flow here can be unstable at certain times of the year.

Ahlnas, Kristina↗
NASA NTRS1991

Fuel-rich, catalytic reaction experimental results

Future aeropropulsion gas turbine combustion requirements call for operating at very high inlet temperatures, pressures, and large temperature rises. At the same time, the combustion process is to have minimum pollution effects on the environment. Aircraft gas turbine engines utilize liquid hydrocarbon fuels which are difficult to uniformly atomize and mix with combustion air. An approach for minimizing fuel related problems is to transform the liquid fuel into gaseous form prior to the completion of the combustion process. Experimentally obtained results are presented for vaporizing and partially oxidizing a liquid hydrocarbon fuel into burnable gaseous components. The presented experimental data show that 1200 to 1300 K reaction product gas, rich in hydrogen, carbon monoxide, and light-end hydrocarbons, is formed when flowing 0.3 to 0.6 fuel to air mixes through a catalyst reactor. The reaction temperatures are kept low enough that nitrogen oxides and carbon particles (soot) do not form. Results are reported for tests using different catalyst types and configurations, mass flowrates, input temperatures, and fuel to air ratios.

Rollbuhler, R. James↗
NASA NTRS1991

Fuel-rich, catalytic reaction experimental results

Future aeropropulsion gas turbine combustion requirements call for operating at very high inlet temperatures, pressures, and large temperature rises. At the same time, the combustion process is to have minimum pollution effects on the environment. Aircraft gas turbine engines utilize liquid hydrocarbon fuels which are difficult to uniformly atomize and mix with combustion air. An approach for minimizing fuel related problems is to transform the liquid fuel into gaseous form prior to the completion of the combustion process. Experimentally obtained results are presented for vaporizing and partially oxidizing a liquid hydrocarbon fuel into burnable gaseous components. The presented experimental data show that 1200 to 1300 K reaction product gas, rich in hydrogen, carbon monoxide, and light-end hydrocarbons, is formed when flowing 0.3 to 0.6 fuel to air mixes through a catalyst reactor. The reaction temperatures are kept low enough that nitrogen oxides and carbon particles (soot) do not form. Results are reported for tests using different catalyst types and configurations, mass flowrates, input temperatures, and fuel to air ratios.

Rollbuhler, Jim↗
NASA NTRS2003

Focused RBCC Experiments: Two-Rocket Configuration Experiments and Hydrocarbon/Oxygen Rocket Ejector Experiments

This addendum report documents the results of two additional efforts for the Rocket Based Combined Cycle (RBCC) rocket-ejector mode research work carried out at the Penn State Propulsion Engineering Research Center in support of NASA s technology development efforts for enabling 3 d generation Reusable Launch Vehicles (RLV). The tasks reported here build on an earlier NASA MSFC funded research program on rocket ejector investigations. The first task investigated the improvements of a gaseous hydrogen/oxygen twin thruster RBCC rocket ejector system over a single rocket system. The second task investigated the performance of a hydrocarbon (liquid JP-7)/gaseous oxygen single thruster rocket-ejector system. To gain a systematic understanding of the rocket-ejector s internal fluid mechanic/combustion phenomena, experiments were conducted with both direct-connect and sea-level static diffusion and afterburning (DAB) configurations for a range of rocket operating conditions. For all experimental conditions, overall system performance was obtained through global measurements of wall static pressure profiles, heat flux profiles and engine thrust. Detailed mixing and combustion information was obtained through Raman spectroscopy measurements of major species (gaseous oxygen, hydrogen, nitrogen and water vapor) for the gaseous hydrogen/oxygen rocket ejector experiments.

Santoro, Robert J.↗
NASA NTRS2009

Feasibility of Mixed Equipage Operations in the Same Airspace

This study used a human-in-the-loop simulation to examine the feasibility of mixed equipage operations in an automated separation assurance environment under higher traffic densities. The study involved two aircraft equipage alternatives with and without data link and four traffic conditions. In all traffic conditions the unequipped traffic count was increased linearly throughout the scenario from approximately 5 to 20 aircraft. Condition One consisted solely of this unequipped traffic, while the remaining three conditions also included a constant number of equipped aircraft operating within the same airspace: 15 equipped aircraft in condition two, 30 in condition three, and 45 in condition four. If traffic load became excessive during any run, participants were instructed to refuse sector entry to inbound unequipped aircraft until sector load became manageable. Results showed a progressively higher number of unequipped aircraft turned away under the second, third, and fourth scenario conditions. Controller workload also increased progressively. Participants rated the mixed operations concept as acceptable, with some qualifications about procedures and information displays. These results showed that mixed operations might be feasible in the same airspace, if unequipped aircraft count is held to a workable level. This level will decrease with increasing complexity. The results imply that integrated airspace configuration is feasible to a limit. The results also indicate that the conflict detection and resolution automation, equipage, and traffic density are important factors that will need to be considered for airspace configuration.

Kopardekar, Parimal↗
NASA NTRS2009

Feasibility of Mixed Equipage Operations in the Same Airspace

This study used a human-in-the-loop simulation to examine the feasibility of mixed equipage operations in an automated separation assurance environment under higher traffic densities. The study involved two aircraft equipage alternatives - with and without data link- and four traffic conditions. In all traffic conditions the unequipped traffic count was increased linearly throughout the scenario from approximately 5 to 20 aircraft. Condition One consisted solely of this unequipped traffic, while the remaining three conditions also included a constant number of equipped aircraft operating within the same airspace: 15 equipped aircraft in condition two, 30 in condition three, and 45 in condition four. If traffic load became excessive during any run, participants were instructed to refuse sector entry to inbound unequipped aircraft until sector load became manageable. Results showed a progressively higher number of unequipped aircraft turned away under the second, third, and fourth scenario conditions. Controller workload also increased progressively. Participants rated the mixed operations concept as acceptable, with some qualifications about procedures and information displays. These results showed that mixed operations might be feasible in the same airspace, if unequipped aircraft count is held to a workable level. This level will decrease with increasing complexity. The results imply that integrated airspace configuration is feasible to a limit. The results also indicate that the conflict detection and resolution automation, equipage, and traffic density are important factors that will need to be considered for airspace configuration.

Kopardekar, Parimal↗
NASA NTRSDate not supplied

Refractory Carbides for Hydrogen Erosion Resistance in Carbon Tubes for Nuclear Thermal Propulsion

As crewed travel becomes more common to the Moon and beyond, space nuclear propulsion-based craft offer reduced travel times and double the specific impulse compared to conventional chemical rockets. The nuclear core and its integral hydrogen propellant channels will require advanced refractory carbide coatings over a carbon/carbon substrate for hydrogen resistance. Using ab initio and other computational techniques, we studied select (Zr/Ta/Nb)C mixed carbide systems for erosion resistance and hydrogen diffusion using realistic levels of carbon vacancies and experimentally obtainable stoichiometries. Various contributions to the formation and hydrogen erosion free energies were calculated, including configurational, electronic, and vibrational terms. Our calculations indicate that ZrC is less likely to lose carbon than NbC or TaC, providing an explanation for heritage NERVA data on ZrC and NbC mass loss performance. Additionally, binary mixtures show compositions that are more stable than their end-member counterparts. Hydrogen diffusion in stoichiometric ZrC was found to be slightly higher than previously theorized, with the caveat that hydrogen saturation of carbon vacancies will hinder further hydrogen diffusion through the bulk, while hydrogen diffusion in ZrNbC is slightly enhanced over ZrC. And finally, we show that as carbon is depleted, the deformation mechanism of ZrC changes from brittle to ductile. Though many questions still remain as to the bulk performance of these materials, these trends and results are important in terms of materials selection efforts for hydrogen-resistant coatings on carbon/carbon substrates.

William C Tucker↗
NASA NTRSDate not supplied

Refractory Carbides for Hydrogen Erosion Resistance in Carbon Tubes for Nuclear Thermal Propulsion

As crewed travel becomes more common to the Moon and beyond, space nuclear propulsion-based craft offer reduced travel times and double the specific impulse compared to conventional chemical rockets. The nuclear core and its integral hydrogen propellant channels will require advanced refractory carbide coatings over a carbon/carbon substrate for hydrogen resistance. Using \textit{ab initio} and other computational techniques, we studied select (Zr/Ta/Nb)C mixed carbide systems for erosion resistance and hydrogen diffusion using realistic levels of carbon vacancies and experimentally obtainable stoichiometries. Various contributions to the formation and hydrogen erosion free energies were calculated, including configurational, electronic, and vibrational terms. Our calculations indicate that ZrC is less likely to lose carbon than NbC or TaC, providing an explanation for heritage NERVA data on ZrC and NbC mass loss performance. Additionally, binary mixtures show compositions that are more stable than their end-member counterparts. Hydrogen diffusion in stoichiometric ZrC was found to be slightly higher than previously theorized, with the caveat that hydrogen saturation of carbon vacancies will hinder further hydrogen diffusion through the bulk, while hydrogen diffusion in ZrNbC is slightly enhanced over ZrC. And finally, we show that as carbon is depleted, the deformation mechanism of ZrC changes from brittle to ductile. Though many questions still remain as to the bulk performance of these materials, these trends and results are important in terms of materials selection efforts for hydrogen-resistant coatings on carbon/carbon substrates.

William C. Tucker↗
NASA NTRSDate not supplied

Refractory Carbides for Hydrogen Erosion Resistance in Carbon Tubes for Nuclear Thermal Propulsion

As crewed travel becomes more common to the Moon and beyond, space nuclear propulsion-based craft offer reduced travel times and double the specific impulse compared to conventional chemical rockets. The nuclear core and its integral hydrogen propellant channels will require advanced refractory carbide coatings over a carbon/carbon substrate for hydrogen resistance. Using ab initio and other computational techniques, we studied select (Zr/Ta/Nb)C mixed carbide systems for erosion resistance and hydrogen diffusion using realistic levels of carbon vacancies and experimentally obtainable stoichiometries. Various contributions to the formation and hydrogen erosion free energies were calculated, including configurational, electronic, and vibrational terms. Our calculations indicate that ZrC is less likely to lose carbon than NbC or TaC, providing an explanation for heritage NERVA data on ZrC and NbC mass loss performance. Additionally, binary mixtures show compositions that are more stable than their end-member counterparts. Hydrogen diffusion in stoichiometric ZrC was found to be slightly higher than previously theorized, with the caveat that hydrogen saturation of carbon vacancies will hinder further hydrogen diffusion through the bulk, while hydrogen diffusion in ZrNbC is slightly enhanced over ZrC. And finally, we show that as carbon is depleted, the deformation mechanism of ZrC changes from brittle to ductile. Though many questions still remain as to the bulk performance of these materials, these trends and results are important in terms of materials selection efforts for hydrogen-resistant coatings on carbon/carbon substrates.

William C Tucker↗