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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials

Silicon carbide (SiC) divacancies are attractive candidates for spin-defect qubits possessing long coherence times and optical addressability. The high activation barriers associated with SiC defect formation and motion pose challenges for their study by first-principles molecular dynamics. In this work, we develop and deploy machine learning interatomic potentials (MLIPs) to accelerate defect dynamics simulations while retaining ab initio accuracy. We employ an active learning strategy comprising symmetry-adapted collective variable discovery and enhanced sampling to compile configurationally diverse training data, calculation of energies and forces using density functional theory (DFT), and training of an E(3)-equivariant MLIP based on the Allegro model. Here, the trained MLIP reproduces DFT-level accuracy in defect transition activation free energy barriers, enables the efficient and stable simulation of multidefect 216-atom supercells, and permits an analysis of the temperature dependence of defect thermodynamic stability and formation/annihilation kinetics to propose an optimal annealing temperature to maximally stabilize VV divacancies.

Computer simulations↗
DOE OSTI2025

Density functional theory-based surrogate kinetic models for heterogeneous reactions of hydrocarbon intermediates on silicon carbide

The increasing demand for high-performance materials in advanced technologies highlights the importance of achieving a fundamental understanding and potential control of silicon carbide (SiC) deposition processes. However, existing models often lack sufficient theoretical detail, relying heavily on empirical data and offering limited predictive capability. In particular, the complex surface chemistry governing SiC growth remains poorly understood. This study addresses these challenges by employing density functional theory (DFT) to investigate key heterogeneous reactions involving hydrocarbon intermediates on SiC surfaces, including dehydrogenation, hydrogenation, and carbon deposition. Transition state searches were conducted to identify reaction pathways and energy barriers. While first-principles calculations offer high accuracy, they are computationally intensive. To extend the utility of these first-principles results, vibrational analyses were performed using phonon-based statistical thermochemistry to compute temperature-dependent reaction rates which were used to develop Arrhenius-type surrogate kinetic models. Furthermore, the resulting framework provides a more rigorous, physically grounded basis for integrating atomistic insights into continuum-scale modeling, ultimately enabling improved prediction and optimization of SiC film growth in high-performance material systems.

Density Functional Theory↗
DOE OSTI2025

Multiscale Modeling of the Mechanical Response of Silicon Carbide Composite Within the Accelerated Fuel Qualification Framework

The accelerated fuel qualification (AFQ) framework has been used for the initial development of multiscale modeling of silicon carbide (SiC) fiber reinforced composite (SiC-SiC). The AFQ framework provides a methodology to leverage physics-informed multiscale modeling along with a reduced set of empirical test data to reduce the time and cost of licensing and qualification of new nuclear fuel systems while maintaining the overall nuclear power plant safety case. SiC-SiC is being proposed for in-core applications, most notably fuel cladding, for current and next-generation nuclear reactors because of its high temperature stability, irradiation tolerance, and ability to withstand many accident conditions. As these composites exhibit multiscale architectures and complex microstructure-based fracture mechanics, it is an appealing use case for the AFQ methodology. While the end goal of this work is a single multiscale model that can be used for predictive in-core performance, current focus is on the individual various length scale models. Four individual models have been initially developed from microscale to engineering system level to capture key physics-based effects across different length scales. These models include a microscale homogenized tow model, a mesoscale fast Fourier transform–based weave model that integrates the homogenized tow model, a mesoscale finite element–based weave model, and a system-level BISON fuel performance model. Results of these models have undergone an initial comparison with separate-effects test data showing a good match to experimental results. By using the AFQ framework during model development, several near-term benefits have been secured including a reduction in development time for the SiC-SiC cladding, more targeted irradiation testing, and a better understanding of uncertainty.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Assessment of the grindability of robocast silicon carbide

The demand for high-performance lightweight optics has driven interest in silicon carbide (SiC) due to its exceptional thermal stability, hardness, and strength-to-weight ratio. This study investigates the potential of robocasting, an additive manufacturing process, as a viable method for producing lightweighted SiC components for optical applications. Four samples with varied starting powder phases (α and β) and sintering conditions were fabricated and evaluated. Post-sintering surface and form were assessed using coherence scanning interferometry (CSI) and coordinate measuring machine (CMM) techniques. A three-stage grinding process was applied to each sample, with surface roughness assessed at each stage. Results demonstrate that samples with predominantly α-phase SiC and smaller particle sizes achieved superior surface finish, particularly sample D2-α-2135 °C, which displayed the lowest post-grinding Sq value of 0.178 µm. The analysis also indicated no significant print-through effect from the lightweighting structure, or print artifacts, at this stage of grinding. However, β-phase samples showed poorer grindability, increased surface roughness, and pitting. These findings suggest that phase composition and particle size are critical for achieving the desired surface quality in robocast SiC optics. Future work will incorporate additional samples and finer grinding wheels to refine surface quality further, supporting the development of SiC for high-precision optical applications.

Barrett, Taylor [ORNL]↗
DOE OSTI2025

Integral Heat Transfer Test Method for Determining Thermal Resistance of Silicon Carbide Cladding and Liquid Tin System at Elevated Temperatures - Master's Thesis Presentation University of Idaho

Presentation for master's work at University of Idaho discussing Integral Heat Transfer Test Method for Determining Thermal Resistance of Silicon Carbide Cladding and Liquid Tin System at Elevated Temperatures. Presentation covers slight literature review results/previous work, discussions on system design and approach for thermal property measurement of SiC composite and Tin system, modeling efforts, and results.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Resin chemistry and particle size influence on stereolithography with silicon carbide

Stereolithography (SLA) is an established process able to produce high resolution polymer parts with complex geometries. Silicon carbide (SiC) has uses in a variety of applications, but traditionally was difficult to manufacture into complex geometries. There have been advances in producing SiC through SLA using a SiC-derived ceramic such as silicon oxycarbide (SiOC). In this study, a slurry using a commercially available resin as the base material with additional modifiers was investigated to create a SiC slurry ready for pressureless sintering. The effects of photoinitiator, dispersant and a bimodal distribution of SiC particle sizes was studied using a design of experiments (DOE). A slurry with a bimodal distribution of 70 % coarse and 30 % fine SiC powder at 40 % solids loading by volume was prepared and successfully printed. Rheology measurements show the slurry to have viscoelastic shear thinning behavior below the recommended 1000 Pas necessary for printing. Printing parameters for the new material on a commercially available SLA printer were studied parametrically. The laser marking speeds found to print the slurry was 260 mm/s and 130 mm/s. A slurry and printing parameters were determined to produce a green part with a proposed debinding cycle.

Herd, Tien [ORNL]↗
DOE OSTI2025

Triangular cross-section grating couplers for integrated quantum nanophotonic hardware in silicon carbide

We design, fabricate, and characterize fishbone grating couplers for triangular cross-section photonics in silicon carbide compatible with color center integration. The periodic and aperiodic grating coupler designs are optimized to outcouple up to 31% of light in the fundamental TE mode of a triangular waveguide. The devices are fabricated using an ion beam etching process in a 4H–SiC sample implanted with NV center ensembles. The room-temperature transmission and the cryogenic NV center photoluminescence collection measurements indicate experimental grating coupler efficiency of up to 24%. This result provides a scalable method to efficiently extract color center light from SiC quantum nanophotonic devices to free-space optics.

Saha, Pranta↗
DOE OSTI2026

Efficient Silicon Carbide (SiC) Fiber Manufacture: Continuous Processing of Novel Precursors via Modified Material Handling

General Atomics Electromagnetic Systems (GA-EMS) together with The Nonwovens Institute (NWI) and Harper International have executed on a development project to improve the production efficiency and reduce the production cost of silicon carbide (SiC) fiber – a critical material that advances US energy security and aerospace leadership. In the first budget period (BP1), the modified tow throughput (MTT) apparatus was developed, enabling fiber spinning in the form of loose coils rather than tightly packed spools (Figure 1) for batch processing of SiC fiber. This coil-based approach was proven to be capable of uniform fiber crosslinking and ceramic conversion, as well as demonstrating key process efficiencies while meeting the program fiber property targets.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Depth-Resolved X-Ray Nanoimaging of Coherent and Incoherent Energy Transport in Silicon Carbide

Understanding lattice dynamics is crucial for optimizing the process of creating functional structures, such as laser writing of color-center defects. However, existing structural probes have difficulty measuring structural dynamics with submicrometer depth sensitivity. Here, in this study, a depth-resolved ultrafast X-ray nanodiffraction technique is developed to track the lattice dynamics of silicon carbide (SiC) in three dimensions. Upon laser excitation of an aluminum layer that acts as a heat and strain transducer, a specular Bragg peak of SiC shows an overall increase in the X-ray diffraction intensity rather than a peak shift. The relaxation dynamics of the increased intensity are significantly different when probed on and off the Bragg peak. The fast subnanosecond relaxation probed at the maximum of the Bragg peak is a result of the propagation of a coherent strain wave along the depth direction, while a slow relaxation probed at the wings of the Bragg peak reflects a localized incoherent lattice heating. To further visualize these processes, spatiotemporal maps were obtained by scanning the relative position and delay between the laser pump and X-ray probe beams, which capture the propagation of the strain wave, as well as a stationary structural distortion close to the aluminum/SiC interface. These depth-resolved structural measurements disentangle energy dissipation mechanisms in laser-excited SiC, and they open opportunities for finer control of, for example, the formation of optically addressable defect complexes central to quantum information applications.

X-ray nanodiffraction↗
DOE OSTI2025

Additive manufacturing of high‐density silicon carbide ceramics through post‐processing spark plasma sintering

This research advances the field of additive manufacturing (AM) of silicon carbide (SiC) ceramics by integrating spark plasma sintering (SPS) to enhance material density, mechanical strength, and thermal properties. Traditional AM techniques struggle to achieve the high‐density SiC required for demanding applications, such as aerospace engineering, where high thermal conductivity and mechanical strength are paramount. Here, our study addresses these challenges by incorporating SPS as a post‐processing step, achieving near‐theoretical maximum densities and significantly reducing porosity, thereby resulting in outstanding thermal conductivity in SiC ceramics. We developed a specialized SiC ink optimized for 3D printing, ensuring structural integrity after deposition through tailored rheological properties. The application of SPS facilitates rapid, uniform sintering, essential for attaining superior density, mechanical properties, and thermal performance. Our experimental results, confirmed through scanning electron microscopy analysis, demonstrate significant microstructural properties, mechanical strength, and thermal conductivity, showcasing the effectiveness of integrating SPS in AM processes. This innovative approach not only expands the capabilities of AM in producing complex, high‐density ceramic structures but also broadens the potential applications of SiC in demanding environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermal Optimization and Experimental Demonstration of a Silicon Carbide, Half-Bridge Power Module

This paper describes modeling and experimental work to design and demonstrate a silicon carbide (SiC), single-side-cooled power module. Two SiC metal-oxide-semiconductor field-effect transistors (MOSFET) were used for each switch position and packaged on a metalized ceramic substrate. Thermal modeling was first conducted to optimize the module packaging to minimize junction-to-fluid thermal resistance and device temperature variations. This procedure identified the optimal device placement and baseplate thickness to maximize thermal performance. A heat exchanger - incorporating impinging jets of water-ethylene glycol - was designed to cool the module's baseplate to minimize thermal resistance and pumping power. The heat exchanger used relatively low fluid velocities (<1.5 m/s) to minimize erosion-corrosion effects and relatively large fluid channel sizes (>=1 mm) to prevent clogging. The power module concept was fabricated, and experiments were conducted to measure its thermal performance. Direct current was used to power the module devices, and junction temperatures were measured via device temperature-sensitive parameters. The experimental results were found to be in good agreement with model predictions (within 2%) and yielded junction-to-fluid thermal resistance values as low as about 15 mm2 K/W at relatively low pumping power values. The results demonstrate the improved performance associated with jet impingement cooling and represent an improvement over existing channel-flow-type cold plates, which can enable improvements to power density and reliability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Current activated reactive ultrafast joining (CARUJ) of silicon carbide

In this work we propose and demonstrate a novel approach for rapid fabrication of ceramic-ceramic joint assemblies, using sintered Silicon Carbide (SiC) as an initial example. Current Activated Reactive Ultrafast Joining (CARUJ) utilizes resistive heating of carbon-based materials to apply localized heat at or around the joint zone at heating rates of 101– 103 °C/min. CARUJ is used to fabricate SiC-SiC joints with a Si-SiC interface using minimal pressure (1–2 MPa) at time scales considerably shorter (several minutes opposed to hours) than conventional approaches for similar systems. The reaction of an interfacial precursor based on elemental silicon and carbon leads to in-situ SiC formation to produce a continuous and dense bond in a single step. Measured average joint strengths of roughly 15 MPa are achieved when tested in single lap offset (SLO) compressive shear. Optional additions of refractory metals such as molybdenum can be utilized to introduce secondary inclusions such as MoSi 2 within the joint interface. We further demonstrate SiC-SiC joining using Active Brazing Alloys (ABA) and proof of concept joining of tubular geometries. The localized and rapid heat application realizes a versatile material joining technique that could be extended for joining components at the plant site.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multilayer Silicon Carbide Composite Material Technology for High-Temperature Concentrated Solar-Thermal Power Components

In 2012, the U.S Department of Energy defined aggressive targets to achieve lower component costs and higher system efficiencies for concentrated solar-thermal power (CSP), and this, in turn, has led to the exploration of technology options that can operate at higher temperatures [1]. These next-generation CSP options, referred to as Generation 3 (a.k.a. Gen3), are targeting temperatures at or above 700 °C for the energy being delivered to the power cycle, and the more challenging plant conditions have necessitated a review and selection of alternative receiver heat transfer fluids as well as a search for materials that can meet the associated high-temperature component requirements. Nickel-based alloys are currently being considered, but these generally experience a significant drop in strength at temperatures > 775 °C [2] and may not be able to achieve corrosion and other lifetime requirements. Furthermore, these alloys are expensive, frequently have cost and schedule volatility, and offer little potential for lower cost at high production volumes. As an alternative, Ceramic Tubular Products, LLC (CTP) has developed a multilayer silicon carbide composite that can complement or replace alloys currently being considered for these Gen3 CSP applications.

14 SOLAR ENERGY↗
DOE OSTI2024

Micro-Tensile Properties of Irradiated AGR-2 TRISO Fuel Pyrolytic Carbon (PyC) and Silicon Carbide (SiC) Coatings

Tristructural isotropic (TRISO) coated nuclear fuel particles are emerging as a versatile option for new reactor designs, with the silicon carbide (SiC) layer crucial for retaining fission products. However, the mechanical properties of TRISO coating layers, particularly after irradiation, are not fully understood due to their small size and high radioactivity. Recent in situ micro-tensile testing of various TRISO layers aims to better understand the SiC layer's failure mechanisms, advancing TRISO fuel qualification. These micro-tensile results will be presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1969

Silicon carbide diode for increased light output

Transition metals improve the overall light output and the output in particular regions of the electroluminescent of a silicon carbide semiconductor device. These metals /impurities/ introduce levels that can be pumped electrically and affect the efficiency of the recombination process involved in emission of radiation.

Griffiths, L. B.↗
DOE OSTI2024

Oxidation of Silicon Carbide with Atomic Oxygen through the Passive-to-Active Transition

The inelastic and reactive scattering dynamics of O( 3 P) atoms on a 6H-silicon carbide (SiC) surface were investigated as a function of temperature with a molecular beam-surface scattering technique that employed a rotatable mass spectrometer detector. One set of experiments used a pulsed hyperthermal beam that produced ~8 km s –1 O atoms, and another set of experiments used a continuous beam that contained O atoms with a nominal velocity of ~2 km s –1 . When exposed to the relatively low-flux, pulsed hyperthermal O-atom beam, a passive oxide layer on the SiC that formed at lower temperatures decomposed as the temperature increased above 1673 K. Instead of entering an active oxidation regime, a graphitic layer formed on the surface and largely protected the underlying SiC from incoming O atoms. Investigation of the oxide decomposition without O-atom bombardment revealed volatile Si and SiO products at the moment that the oxide decomposed, implying that Si sublimation occurs concurrently with oxide decomposition. In the experiment with the continuous (higher flux) O-atom beam, volatile SiO and CO products were observed after the passive oxide decomposed, indicating that active oxidation was reached. Finally, the results of this study provide evidence for the importance of Si sublimation within the active oxidation regime. Above the passive-to-active transition temperature, Si sublimation is an ongoing process, and continuous active oxidation will only occur if sufficient oxygen reacts with the surface to produce SiO more quickly than a graphitic layer can form. Thus, accurate models of SiC ablation by atomic oxygen must account for multiple competing mechanisms that depend on the surface temperature and incident O-atom flux.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗