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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 667 records · Page 37

Direct Optical Lithography of Colloidal Metal Oxide Nanomaterials for Diffractive Optical Elements with 2π Phase Control

Spatially patterned dielectric materials are ubiquitous in electronic, photonic, and optoelectronic devices. These patterns are typically made by subtractive or additive approaches utilizing vapor-phase reagents. On the other hand, recent advances in solution-phase synthesis of oxide nanomaterials have unlocked a materials library with greater compositional, microstructural, and interfacial tunability. However, methods to pattern and integrate these nanomaterials in real-world devices are less established. In this work, we directly optically pattern oxide nanoparticles (NPs) by mixing them with photosensitive diazo-2-naphthol-4-sulfonic acid and irradiating with widely available 405 nm light. We demonstrate the direct optical lithography of ZrO 2 , TiO 2 , HfO 2 , and ITO NPs and investigate the chemical and physical changes responsible for this photoinduced decrease in solubility. Micron-thick layers of amorphous ZrO 2 NPs were patterned with micron resolution and shown to allow 2 pi phase control of visible light. We also show multilayer patterning and use it to fabricate features with different thicknesses and distinct structural colors. Upon annealing at 400 degrees C, the deposited ZrO 2 structures have excellent optical transparency across a wide wavelength range (0.3-10 mu m), a high refractive index (n = 1.84 at 633 nm), and are optically smooth. We then fabricate diffractive optical elements, such as binary phase diffraction gratings, that show efficient diffractive behavior and good thermal stability. Different oxide NPs can also be mixed prior to patterning, providing a high level of material tunability. This work demonstrates a general patterning approach that harnesses the processability and diversity of colloidal oxide nanomaterials for use in photonic applications.

2𝜋 phase shift↗

Mechanical behavior of bimetallic stainless steel and gray cast iron repairs via directed energy deposition additive manufacturing

The utility of gray cast iron in engine components remains tied to the mechanical performance and cost. Repair and remanufacturing of castings offer economical and sustainable benefits; however, high thermal input from traditional fusion-based welding is unable to restore the original mechanical quality owing to brittle microstructures and porosity formed in situ. Directed energy deposition (DED) is an additive manufacturing method that has received considerable interest for repairs owing to the highly controllable nature of the process. Despite this, few works have connected the effect of DED parameters on actual interfacial strength. Consequently, distinct DED parameter combinations were identified to maximize the strength and fatigue life of the repaired cast iron. Further, high speed melt pool imaging and residual stress measurements are provided to aid in the understanding of the metallurgical quality and strength seen in these structures. In general, higher scanning speeds and lower thermal gradients promoted comparable tensile strength to that of the original gray cast iron. The results presented here provide a foundation to tune in the DED process to generate the required mechanical quality as a starting point for future process advancements.

36 MATERIALS SCIENCE↗

Enhancing the multi-functional properties of renewable lignin carbon fibers via defining the structure–property relationship using different biomass feedstocks

Lignin has been explored extensively as a renewable precursor for carbon materials, considering its abundance as a major component of plant cell walls and its sustainability as a byproduct of both lignocellulosic biorefinery and the paper-making industry. Despite the extensive efforts to define the process–property relationship, it remains largely unknown how lignin biosynthesis and its chemistry would impact the resultant carbon fiber properties, for both mechanical and electroconductive performances. Such inadequate understanding fundamentally limits feedstock design and selection to improve carbon fiber properties toward broader commercial applications. Using lignin from a broad range of biomass feedstocks for carbon fiber manufacturing, we have fundamentally explored the structure–function relationship between lignin chemistry and carbon fiber performance. Specifically, lignin extracted from hardwood (sugar maple), softwood (loblolly pine and red cedar), and herbaceous plants (corn stover and switchgrass) was used for carbon fiber manufacturing, considering the very different lignin structures from these feedstocks. Linear regression models were established to define the relationship between carbon fiber mechanical properties and lignin structural characteristics. The results highlighted that the content of β-O-4 linkages correlates significantly with the tensile strength and elastic modulus of lignin carbon fibers, indicating that more linear β-O-4 linkages would promote the carbon fiber mechanical performance. Moreover, electroconductive properties are essential for broader energy device application of lignin-based carbon fibers, yet the mechanisms controlling their electroconductivity are largely unknown. Furthermore, we hereby demonstrated that a higher β-O-4 content also promotes the electroconductivity of lignin carbon fibers. Microstructure analysis further revealed that the crystallite size and content of the pre-graphitic turbostratic carbon structure in lignin-based carbon fibers were enhanced as the β-O-4 linkages increased. The content of β-O-4 linkages has shown a strong correlation with the crystallite content in a linear regression model. This study thus revealed the underlying mechanisms regarding how the lignin structure in planta defines the resultant carbon fiber properties. Moreover, the study also highlighted the correlation between the mechanical and electroconductive properties of lignin-based carbon fibers, both of which were defined by the lignin structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Protocol-dependent frictional granular jamming simulations: cyclical, compression, and expansion

Granular matter takes many paths to pack in natural and industrial processes. The path influences the packing microstructure, particularly for frictional grains. We perform discrete element modeling simulations of different paths to construct packings of frictional spheres. Specifically, we explore four stress-controlled protocols implementing packing expansions and compressions in various combinations thereof. We characterize the eventual packed states through their dependence of the packing fraction and coordination number on packing pressure, identifying non-monotonicities with pressure that correlate with the fraction of frictional contacts. These stress-controlled, bulk-like particle simulations access very low-pressure packings, namely, the marginally stable limit, and demonstrate the strong protocol dependence of frictional granular matter.

36 MATERIALS SCIENCE↗

Additive Manufacture of Porous ZrC for NTP In-Core Insulators

Nuclear Thermal Propulsion (NTP) requires the use of in-core insulators to manage to thermal environment between high temperature fuel elements and lower temperature structural components. The unforgiving in-core operating conditions severely limit potential material candidates. Zirconium Carbide (ZrC) is a promising candidate due to a high melting temperature, high compressive strength, hardness, wear resistance, hydrogen compatibility, and low neutron absorption cross sections. However, fully dense ZrC is not an insulator but it has been found that the thermal conductivity of ZrC decreases by increasing porosity to approximately 60 % theoretical density (%TD). Previous methods for generating porous ZrC were difficult, expensive, and time consuming. Binder jet additive manufacture (AM) can print ceramic materials to near net shape. Binder jet AM is not utilized in many applications due to an inherently low post-sintering density on the order of 60 %TD. For this specific application the inherent lower density is leveraged as an advantage in production porous ZrC in order to control the thermal conductivity. A feasibility study was conducted to investigate binder jet AM parameter development for ZrC, heat treatment optimization (burn-out and sinter), microstructural characterization, mechanical testing, and thermal testing to generate near-net shape ZrC components with ~60 %TD with the desired thermal conductivity and mechanical strength.

Omar Mireles↗

Additive Manufacture of Porous Zirconium Carbide for Nuclear Thermal Propulsion In-Core Insulators

Nuclear Thermal Propulsion (NTP) requires the use of in-core insulators to manage to thermal environment between high temperature fuel elements and lower temperature structural components. The unforgiving in-core operating conditions severely limit potential material candidates. Zirconium Carbide (ZrC) is a promising candidate due to a high melting temperature, high compressive strength, hardness, wear resistance, hydrogen compatibility, and low neutron absorption cross sections. However, fully dense ZrC is not an insulator but it has been found that the thermal conductivity of ZrC decreases by increasing porosity to approximately 60 % theoretical density (%TD). Previous methods for generating porous ZrC were difficult, expensive, and time consuming. Binder jet additive manufacture (AM) can print ceramic materials to near net shape. Binder jet AM is not utilized in many applications due to an inherently low post-sintering density on the order of 60 %TD. For this specific application the inherent lower density is leveraged as an advantage in production porous ZrC in order to control the thermal conductivity. A feasibility study was conducted to investigate binder jet AM parameter development for ZrC, heat treatment optimization (burn-out and sinter), microstructural characterization, mechanical testing, and thermal testing to generate near-net shape ZrC components with ~60 %TD with the desired thermal conductivity and mechanical strength.

Zirconium Carbide Additive Manufacture↗

Additive Manufacture of Porous Zirconium Carbide for Nuclear Thermal Propulsion In-Core Insulators

Nuclear Thermal Propulsion (NTP) requires the use of in-core insulators to manage to thermal environment between high temperature fuel elements and lower temperature structural components. The unforgiving in-core operating conditions severely limit potential material candidates. Zirconium Carbide (ZrC) is a promising candidate due to a high melting temperature, high compressive strength, hardness, wear resistance, hydrogen compatibility, and low neutron absorption cross sections. However, fully dense ZrC is not an insulator but it has been found that the thermal conductivity of ZrC decreases by increasing porosity to approximately 60 % theoretical density (%TD). Previous methods for generating porous ZrC were difficult, expensive, and time consuming. Binder jet additive manufacture (AM) can print ceramic materials to near net shape. Binder jet AM is not utilized in many applications due to an inherently low post-sintering density on the order of 60 %TD. For this specific application the inherent lower density is leveraged as an advantage in production porous ZrC in order to control the thermal conductivity. A feasibility study was conducted to investigate binder jet AM parameter development for ZrC, heat treatment optimization (burn-out and sinter), microstructural characterization, mechanical testing, and thermal testing to generate near-net shape ZrC components with ~60 %TD with the desired thermal conductivity and mechanical strength.

Zirconium Carbide Additive Manufacture↗

Protocol Dependent Frictional Granular Jamming Simulations: Cyclical, Compression and Expansion

Granular matter takes many paths to pack in natural and industrial processes. The path influences the packing microstructure, particularly for frictional grains. We perform discrete element modeling simulations of different paths to construct packings of frictional spheres. Specifically, we explore four stress-controlled protocols implementing packing expansions and compressions in various combinations thereof. We characterize the eventual packed states through their dependence of the packing fraction and coordination number on packing pressure, identifying non-monotonicities with pressure that correlate with the fraction of frictional contacts. These stress-controlled, bulk-like particle simulations access very low-pressure packings, namely, the marginally stable limit, and demonstrate the strong protocol dependence of frictional granular matter.

DEM↗

Microscopic Views of Martian Soils and Evidence for Incipient Diagenesis

Mars landed missions returned im-ages at increasingly higher spatial resolution (Table 1). These images help to constrain the microstructure of Martian soils, i.e. the grain-by-grain association of chemistry and mineralogy with secondary properties, such as albedo, color, magnetic properties, and mor-phology (size, shape, texture). The secondary charac-teristics are controlled by mineralogical composition as well as the geo-setting (transport and weathering modes, e.g. water supply, pH, atmospheric properties, exposure to radiation, etc.). As of today this association is poorly constrained. However, it is important to un-derstand soil-forming processes on the surface of Mars. Here we analyze high-resolution images of soils re-turned by different landed missions. Eventually these images must be combined with other types of data (chemistry and mineralogy at small spatial scale) to nail down the microstructure of Martian soils.

Goetz, W.↗

Demonstration of Dimensional and Microstructural Postirradiation Examination Capabilities on MiniFuel Disk Specimens

This work demonstrates two new MiniFuel postirradiation examination (PIE) capabilities, laser profilometry and serial sectioning, for future use on alpha-U specimens for the upcoming Mini-99 irradiation campaign. Representative U–Mo disk specimens—3 mm in diameter and approximately 0.75 mm in thickness—were subjected to dimensional measurements using standard calipers, as well as a new Keyence CL-3000 series laser profilometry system designed to measure the surface of both sides of the disk simultaneously. The laser profilometry system captured thickness gradients across the specimens as large as 0.2 mm. Additionally, because of the limitations inherent to the use of calipers, caliper measurements consistently overestimated the initial volume of MiniFuel disk specimens compared to the laser profilometry method by up to 5%. However, the results show that optimal data collection and analysis procedures are crucial to avoiding significant artifacts during data collection that can lead to large errors (approximately 10%). Serial sectioning using a combination of ion milling and electron imaging was also demonstrated for the analysis of micron-sized control volumes. Nanometer- to micron-scale porosity was resolved on a representative U–Mo specimen before irradiation, even when the surface of the specimen appeared free of porosity. Future efforts to relate microstructural features (porosity, fission product distributions, and so on) to macroscale effects (dimensional changes, thermal conductivity degradation) require accurate characterization methods such as those demonstrated in this work. These advanced PIE capabilities will be applied to optimized alpha-U specimens for the upcoming Mini-99 neutron irradiation campaign.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon

Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.

Data-driven framework↗

Experimental study of UV induced tensile properties deterioration and chemical aging of polyurea–POSS composites

Ultraviolet (UV) radiation present in natural sunlight degrades the chemical and mechanical properties of polymeric matrices in composites. Polyurea possess a unique set of chemical and mechanical properties due to its complex microstructure comprising of hard and soft segments (phases). The primary objective of the work presented here is to characterize the chemical and mechanical degradation of pure polyurea and polyurea - polyhedral oligomeric silsesquioxane (POSS) nanocomposites subjected to UV radiation exposure for 45 days. Control specimen in as-received condition (reference specimen) and UV-aged tensile test specimen are tested in the study. Analysis of Fourier transformed infrared (FTIR) spectra for UV-aged polyurea and polyurea-POSS composites reveals that the addition of POSS nanoparticles accelerate the deterioration of polyurea matrix by breaking the hard phase network and altering the mechanism of degradation for the soft phase present in polyurea microstructure. The deterioration of hard and soft segments cause a significant reduction in tensile properties of polyurea-POSS composites.

Materials Science↗

Hybrid manufacturing by additive friction stir deposition, metrology, CNC machining, and microstructure analysis

Aerospace flight panels must provide high strength with low mass. For aluminum panels, it is common practice to begin with a wrought plate and remove the majority of the material to attain the desired structure, comprising a thinner plate with the desired pattern of reinforcement ribs. As an alternative, this study implements hybrid manufacturing, where aluminum is first deposited on a baseplate only at the rib locations using additive friction stir deposition (AFSD). Structured light scanning is then used to measure the printed geometry. This geometry is finally used as the stock model for computer numerical control (CNC) machining. This paper details the hybrid manufacturing process that consists of: AFSD to print the preform, structured light scanning to generate the stock model and tool path, three-axis CNC machining, and post-process measurements for part geometry and microstructure.

42 ENGINEERING↗

Role of crystallographic orientation on intragranular void growth in polycrystalline FCC materials

In this study, we study the effect of crystallographic orientation and applied triaxiality on the growth of intragranular voids. Two 3D full-field micromechanics methods are used, the dilatational visco-plastic fast-Fourier transform (DVP-FFT) and the crystal plasticity Finite Elements (CP-FE), both of which incorporate a combination of crystalline plasticity and dilatational plasticity. We demonstrate with several select cases that predictions of void growth from both formulations agree qualitatively. With the more computationally efficient DVP-FFT, additional effects of polycrystalline microstructure and the influence of nearest neighborhood are investigated. Crystals bearing a single intracrystalline void are studied in three types of 3D microstructural environments: isolated single crystals, individual equal-sized grains within a regular polycrystal, and individual variable sized grains within a polycrystal with grains and voids randomly located. We show that loading type plays a significant role. In strain-rate controlled conditions, voids in the hardest [111]-crystals grow the fastest in time, whereas in stress-controlled conditions, voids in the softest [100]-crystal grow the fastest in time. The analysis reveals that on average void growth is slower for the same starting orientation in the polycrystal than in the single crystal. We find that at the highest triaxiality tested that the correlation between crystal orientation and void growth rate in the polycrystal strengthens, drawing closer to that seen in the isolated single crystals. These results and model can help guide the microstructural design of polycrystalline materials with high strength and damage-tolerance in high-rate deformation.

36 MATERIALS SCIENCE↗

Microstructure and Elevated Temperature Flexure Testing of Tungsten Produced by Electron Beam Additive Manufacturing

Abstract Due to their superior high-temperature thermomechanical capabilities, sputter erosion durability, and excellent resistance to hydrogen isotopes, tungsten materials have garnered significant interest in fusion nuclear applications. However, low room-temperature ductility and complex machining strategies present significant challenges for traditional fabrication. Electron beam powder bed fusion (EB-PBF) shows promise in manufacturing pure tungsten via high thermal energy input, elevated build temperature, and a tightly controlled high-vacuum environment. This work explores the process, structure, and property relationship of pure tungsten fabricated by EB-PBF, where 99.8% relative density was achieved with reduced cracking by isolating the build substrate and optimizing the print parameter suite. Optical and electron imaging revealed that the microstructure contained equiaxed grains along the build direction, with subgrains present in all inspected grains. Flexural testing at ambient and elevated temperatures demonstrated high ductility at 900°C and flexural strength of 470 MPa at room temperature of additively manufactured tungsten.

Zhang, Haozhi↗

Linking Phase Behavior to Performance Parameters in Non-Fullerene Acceptor Solar Cells

Performance of nonfullerene-based organic solar cells is largely dependent on the donor:acceptor blend morphology, which is initially tuned by composition. However, morphological design rules are difficult to identify due to the complex relationship between composition-dependent phase behavior and performance properties. In this study, the authors are able to establish a direct link between PM6:Y6 film morphology and device properties by combining grazing-incidence wide-angle X-ray scattering with highly sensitive Fourier transform photocurrent spectroscopy. By analyzing properties across the full composition range, interfacial microstructure and the corresponding charge transfer (CT) states are identified and direct structure–property relationships are established. Here the results indicate that open-circuit voltage is controlled by the CT state at amorphous-PM6:crystalline-Y6 interfaces. Crystalline Y6 is found to increase both transport and non-radiative recombination, suggesting that morphological tradeoffs may be necessary for overall device optimization.

14 SOLAR ENERGY↗

Operando Investigation on the Role of Densification and Chemo-Mechanics on Solid-State Cathodes

All solid-state batteries are desirable for a range of energy storage applications which require high energy density. Achieving a high energy density in a solid-state battery requires the operation of an energy dense anode with a composite solid-state cathode. Pores and/or voids within a solid state cathode are ion-blocking and thus control over the concentration and distribution of pores in the initial electrode and cycled electrode is desirable. This study provides an understanding of the interplay between electrode microstructure and mechanics on active material utilization in solid state cathodes composed of NCM 811 and Li 6 PS 5 Cl. Decreasing the solid electrolyte particle size leads to greater active material-electrolyte contact and less total deformation when exposed to an external load. Composite cathodes with greater compliance can potentially decrease strain between the active material and solid electrolyte, decrease delamination events and result in higher overall active material utilization and high capacity retention.

25 ENERGY STORAGE↗