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NASA NTRS · 20210019867

Computational Materials Modeling

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Justin Haskins, Lauren Abbott, BJ Tucker. Computational Materials Modeling. https://ntrs.nasa.gov/citations/20210019867

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Sintering Behaviors of ZrC, NbC, and TaC Mono-and Binary Carbides

Nuclear Thermal Propulsion (NTP) has undergone development as an alternate in-space propulsion system to traditional chemical propulsion methods since the 1950s. In an NTP system, the energy released from fission in the core is utilized as the heat source to directly heat a propellant for propulsion, rather than chemical combustion in a traditional rocket. NTP has many desirable capabilities including flexible mission launch dates and reduced transit times due to it’s capability for high specific impulse. One of the main challenges with NTP systems is the structural integrity of the fuel. The fuel form required in the reactor core must withstand temperatures above 2700 Kelvin. Ceramic-metallic matrix fuel, ceramic-ceramic matrix fuel, and solid solution carbide fuels are the three strongest candidates for the extreme environments. Solid solution carbides have the potential to exhibit promising behavior as a fuel form in an NTP system. Of the multiple refractory metal carbides of interest, here we focus on zirconium carbide (ZrC), niobium carbide (NbC), and tantalum carbide (TaC). ZrC, NbC, and TaC powders were consolidated in monocarbide (ZrC, NbC, and TaC) and bi-carbide (ZrC-NbC, ZrC-TaC, NbC-TaC) forms using spark plasma sintering (SPS). In addition to the pure endpoint carbides, the examined compositions of the various bi-carbides ranged from 25-75 mol%. The sintering temperatures, pressures, and hold times were varied to determine the ideal sintering conditions. Grain size analysis, Archimedes’ density, scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersion spectroscopy (EDS) were used to determine and characterize the grain size, ideal density, porosity, phase stability, and chemical composition of each sample. The data from each sample was then used to generate a Master Sintering Curve (MSC) unique to each monocarbide or bi-carbide.

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Homogeneity Study of ZrC, NbC, and TaC Binary Carbide Fuels for the Application of Nuclear Thermal Propulsion

In alignment with NASA and DARPA goals, efforts towards Nuclear Thermal Propulsion (NTP) have increased in recent years. As progress is made, a main challenge still exists; the fuel in an NTP system must survive the extreme environment experienced during operating conditions. Three fuel forms have been studied including a ceramic-metallic matrix, a ceramic-ceramic matrix, and solid solution carbides. Solid solution carbides were studied previously as a fuel for NTP and was shown to be a promising technology; however, the programs were canceled before demonstration in an NTP engine test. Of the refractory metal carbides of interest, zirconium carbide (ZrC), niobium carbide (NbC) and tantalum carbide (TaC) were studied. ZrC, NbC, and TaC powders were consolidated in monocarbide (ZrC, NbC, TaC) and bi-carbide (ZrC-NbC, ZrC-TaC, NbC-TaC) forms using spark plasma sintering (SPS), with 50-50 mol% compositions of the bi-carbides of interest. The time and temperature conditions to achieve a completely homogeneous solid solution for the mixed carbides is of interest for NTP fuel applications, since this homogeneity is considered to be essential for this fuel form. Homogeneity is typically not achieved during sintering, as surface diffusion (predominant for sintering to near ideal density) tends to occur at lower temperatures than bulk volumetric diffusion (required for solute interdiffusion to achieve a homogeneous solid solution). High temperature isochronal annealing was performed to identify the conditions to achieve a chemically homogeneous sample. The solute interpenetration vs annealing temperature was quantified using energy dispersion spectroscopy (EDS) in a scanning electron microscope (SEM). X-ray diffraction (XRD) was used to accurately measure the phase stability and lattice parameter as a function of annealing conditions. The diffusion data from each sample was then used to determine self-diffusion coefficients for interdiffusion of the Nb, Zr, and Ta solutes and compared to existing literature values. The minimum annealing conditions to achieve complete chemical homogeneity for each carbide was determined.

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Nuclear reactors have the potential to provide high energy density to enable sustainable surface power and advanced propulsion methods needed for human exploration activities at the moon and mars. Current mission planning is surveying different reactor types for space power and propulsion application. Of these reactor types, the use of a moderator within the reactor can enable reduced enrichment, reduce overall fuel loadings, and minimize the critical size of the reactor compared to unmoderated reference systems. This proceeding summarizes some moderator materials identified for space reactor applications: zirconium hydride, yttrium hydride, beryllium, and beryllium oxide, and the unique design considerations inherent to surface power and nuclear thermal propulsion reactor designs. It was found that there are four key considerations during the moderator selection and design process: nuclear properties, thermophysical & mechanical properties, manufacture & readiness, and environmental compatibility. Surface power reactors can benefit from moderators which minimize overall system mass and are capable of surviving high temperature irradiation environments for years with little degradation. Nuclear thermal propulsion reactors can benefit from moderators which are capable of retaining structural integrity under multiple burns while being exposed to a wide temperature range (40 < T < 500+ K). Moderator materials which exhibit good stability under irradiation and high temperature operation, minimize fuel pitch, and are high readiness are desirable for near term implementation.

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