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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Surface enhanced performance of La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ cathodes by infiltration Pr-Ni-Mn-O progress

Herein the present study reports the enhancement of electrochemical oxygen reduction activity of porous La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3–δ (LSCF) cathodes by coating a thin film of Pr-Ni-Mn oxide (PNM5) using a multi-step infiltration process. XRD examination reveals that PNM5 mainly contains a multiphase mixture of Pr 6 O 11 , PrNiO 3 , MnO and NiO. SEM morphology shows a thin PNM5 film and small particles are formed on the surface of LSCF backbone particles. Impedance spectrum analysis indicates that PNM5 infiltrated LSCF exhibits dramatically reduced polarization resistance (R p ), reaching R p of 0.244 Ω cm 2 at 973 K, which is one-half of the baseline LSCF cathode. The activation energy of LSCF cathodes infiltrated with PNM5 is 1.45 eV, slightly lower than the baseline LSCF cathode (1.77 eV). Distribution of relaxation time (DRT) function analysis shows PNM5 infiltration layer significantly promotes the oxygen reduction reaction (ORR) of cathode surface. With the increase in firing temperature, the total resistance increases and R p changes from ion transport to oxygen reduction reaction. Degradation rate of the PNM5-infiltrated LSCF is also lower, 0.02168% vs 0.07093% for the baseline LSCF over a 200-h period. A single cell testing indicated that the peak power density of the PNM5-infiltrated cell was increased by 140.66%. Overall, PNM5 could be a potential catalyst for boosting the performance of a commercial LSCF cathode for solid oxide fuel cells (SOFC).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Facilitating Large‐Scale Snow Shedding from In‐Field Solar Arrays using Icephobic Surfaces with Low‐Interfacial Toughness

Abstract Large‐scale accrual of snow and ice on solar arrays in northern latitudes can cause significant power generation losses during winter. Depending on environmental conditions, snow can encompass a wide range in physical characteristics from dry snow (modulus ≈100 kPa and density ≈0.1 g cm −3 ) to bulk ice (modulus ≈8 GPa and density ≈0.9 g cm −3 ). This variation in snow morphology has made the development of a passive, broad‐spectrum, snow and ice‐shedding surface challenging. Here, the authors develop one of the first surfaces that simultaneously possesses both low‐interfacial strength ( τ˄ ice < 50 kPa) and toughness (Γ ice < 0.5 J m −2 ) with ice. These surfaces, fabricated via the addition of mobile polymer chains/oils to a thin polymeric coating, require extremely low detachment forces for ice, enabling its passive shedding at virtually any accretion length scale. Preliminary evidence that the new surfaces can shed different forms of snow and ice from field‐deployed solar arrays, over a range of subzero temperatures for several weeks, leading to significant increases in power generation is provided. The optically transparent surfaces are easily scalable and can be widely deployed by the solar industry in areas that see persistent snow. Other applications include automotive windshields, LIDAR covers for autonomous vehicles, and cold climate optical sensors.

Dhyani, Abhishek↗
DOE OSTI2026

Machine Learning Framework for Characterizing Processing–Structure Relationship in Block Copolymer Thin Films

The morphology of block copolymers (BCPs) critically influences material properties and applications. This work introduces a machine learning (ML)-enabled, high-throughput framework for analyzing grazing incidence small-angle X-ray scattering (GISAXS) data and atomic force microscopy (AFM) images to characterize BCP thin film morphology. A convolutional neural network was trained to classify AFM images by surface features, achieving 97% testing accuracy. Classified images were then analyzed to extract 2D grain size measurements from the samples in a high-throughput manner. ML models were trained to predict domain orientation based on processing parameters such as solvent ratio, additive type, and additive ratio. GISAXS-based properties were predicted with strong performances (R 2 > 0.75), while AFM-based property predictions were less accurate (R 2 < 0.60), likely due to the localized nature of AFM measurements compared to the bulk information captured by GISAXS. Beyond model performance, interpretability was addressed using SHapley Additive exPlanations (SHAP). SHAP analysis revealed that the additive ratio had the largest impact on morphological predictions, where additive provides the BCP chains with increased volume to rearrange into thermodynamically favorable morphologies. This interpretability helps validate model predictions and offers insight into parameter importance. Altogether, the presented framework combining high-throughput characterization and interpretable ML offers an approach to exploring and optimizing BCP thin film morphology across a broad processing landscape.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Dynamic of Complex Two-Phase Mixtures During Coarsening: From Dendritic to Bicontinuous Mixtures

Dendrites are tree-like crystals that frequently form during the solidification of castings. In systems with nearly isotropic interfacial energy, these dendrites possess secondary and sometimes even tertiary arms, and lead to morphologically complex two-phase mixtures. Dealloying, in which one component is selectively leached, leads to nanoporous structures that have proven useful for many technological applications. These bicontinuous two-phase mixtures are topologically and morphologically complex with spatially varying mean and Gaussian curvatures. The evolution of these structures during coarsening is of considerable technological importance since the morphology of the dendrites and nanoporous structure sets the properties of the resulting material. During coarsening, the total surface area per volume of the mixture decreases, thus resulting in an increase in the size-scale of the two-phase mixture. The evolution of interfacial morphology of these interconnected two-phase mixtures is being studied using large-scale computer simulations. The simulations are used to develop a theory of coarsening in these systems that will elucidate the impact of the complicated morphology found in dendritic and nanoporous systems on the coarsening process. The experiments employ four-dimensional X-ray microtomography, which enables the morphology of the two-phase mixture to be followed in three dimensions and time (an additional dimension). The experiments also serve as a test of simulations and theory of the coarsening process, as well as to provide initial conditions for the simulations. Through these experiments and theory, we aim to develop a comprehensive description of coarsening in these complex and technologically important two-phase mixtures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Shape Dependence on the Electrochemistry of Uncoated Magnetite Motifs

Using a variety of synthetic protocols including hydrothermal and microwave-assisted methods, the morphology of as-prepared magnetite has been reliably altered as a means of probing the effect of facet variations upon the resulting electrochemical processes measured. In particular, motifs of magnetite, measuring ~100 to 200 nm in diameter, were variously prepared in the form of cubes, spheres, octahedra, and plates, thereby affording the opportunity to preferentially expose either (111), (220), or (100) planes, depending on the geometry in question. Here, we deliberately prepared these samples, characterized using XRD and SEM, in the absence of a carbonaceous surfactant to enhance their intrinsic electrochemical function. Herein, we present a direct electrochemical comparison of specifically modified shape morphologies possessing 3 different facets and their impact as electrode materials for Li-ion batteries. Our overall data suggest that the shapes exhibiting the largest deliverable capacities at various current densities incorporated the highest surface energy facets, such as exposed (220) planes in this study. The faceted nature of different morphologies highlighted a trend in electrochemistry of (220) > (111) > (100); moreover, the degree of aggregation and polydispersity in prepared samples were found to play key roles as well.

25 ENERGY STORAGE↗
DOE OSTI2020

Engineering Atomically Dispersed FeN 4 Active Sites for CO 2 Electroreduction

Atomically dispersed FeN 4 active sites have exhibited exceptional catalytic activity and selectivity for the electrochemical CO 2 reduction reaction (CO2RR) to CO. However, the understanding behind the intrinsic and morphological factors contributing to the catalytic properties of FeN 4 sites is still lacking. By using a Fe-N-C model catalyst derived from the ZIF-8, we deconvoluted three key morphological and structural elements of FeN 4 sites, including particle sizes of catalysts, Fe content, and Fe-N bond structures. Furthermore, their respective impacts on the CO2RR were comprehensively elucidated. Engineering the particle size and Fe doping is critical to control extrinsic morphological factors of FeN 4 sites for optimal porosity, electrochemically active surface areas, and the graphitization of the carbon support. In contrast, the intrinsic activity of FeN 4 sites was only tunable by varying thermal activation temperatures during the formation of FeN 4 sites, which impacted the length of the Fe-N bonds and the local strains. The structural evolution of Fe-N bonds was examined at the atomic level. First-principles calculations further elucidated the origin of intrinsic activity improvement associated with the optimal local strain of the Fe-N bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Design of Planarizing Growth Conditions on Unpolished and Faceted (100)-Oriented GaAs Substrates Using Hydride Vapor Phase Epitaxy

Here we performed a design of experiments (DoE) analysis to determine the effect of various growth parameters on in situ planarizing overgrowth of rough substrates using hydride vapor phase epitaxy (HVPE). We used two types of rough (100)-oriented GaAs substrates to compare the effect of the initial morphology on the epitaxial growth behavior: an irregular, as-cut surface resultant from cutting the wafer from a GaAs boule and a regularly faceted surface produced by controlled spalling. The DoE analysis identified trends in the overgrowth behavior with changing growth conditions, and we used these trends to design favorable planarization growth conditions for each surface type. These favorable conditions enabled full planarization of a spalled surface with >2.5 um facet height within 10.8 min of growth. The root mean squared (RMS) surface roughness of the resulting (100) surface was 24.5 nm over a 286 um x 215 um area. Our results show that planarization growth by HVPE is a promising technique to enable device growth directly on rough substrates, and the trends revealed through DoE analysis indicate a path toward further optimization of planarization growth conditions for as-cut and spalled surfaces.

14 SOLAR ENERGY↗
DOE OSTI2023

Hydrodynamics and Survivability during Post-main-sequence Planetary Engulfment

The engulfment of substellar bodies (SBs), such as brown dwarfs and planets, by giant stars is a possible explanation for rapidly rotating giants, lithium-rich giants, and the presence of SBs in close orbits around subdwarfs and white dwarfs. We perform three-dimensional hydrodynamical simulations of the flow in the vicinity of an engulfed SB. We model the SB as a rigid body with a reflective surface because it cannot accrete. This reflective boundary changes the flow morphology to resemble that of engulfed compact objects with outflows. We measure the drag coefficients for the ram-pressure and gravitational drag forces acting on the SB, and use them to integrate its trajectory inside the star. We find that engulfment can increase the luminosity of a 1 M ⊙ star by up to a few orders of magnitude. The time for the star to return to its original luminosity is up to a few thousand years when the star has evolved to ≈10 R ⊙ and up to a few decades at the tip of the red giant branch (RGB). No SBs can eject the envelope of a 1 M ⊙ star before it evolves to ≈10 R ⊙ if the orbit of the SB is the only energy source contributing to the ejection. In contrast, SBs as small as ≈10 MJup can eject the envelope at the tip of the RGB. The numerical framework we introduce here can be used to study planetary engulfment in a simplified setting that captures the physics of the flow at the scale of the SB.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Experimental Investigation of Low Cost, Low Thermal Conductivity Thermal Barrier Coating on HCCI Combustion, Efficiency, and Emissions

In-cylinder surface temperature is of heightened importance for Homogeneous Charge Compression Ignition (HCCI) combustion since the combustion mechanism is thermo-kinetically driven. Thermal Barrier Coatings (TBCs) selectively manipulate the in-cylinder surface temperature, providing an avenue for improving thermal and combustion efficiency. A surface temperature swing during combustion/expansion reduces heat transfer losses, leading to more complete combustion and reduced emissions. At the same time, achieving a highly dynamic response sidesteps preheating of charge during intake and eliminates the volumetric efficiency penalty. The magnitude and temporal profile of the dynamic surface temperature swing is affected by the TBC material properties, thickness, morphology, engine speed, and heat flux from the combustion process. This study follows prior work of authors with Yttria Stabilized Zirconia, which systematically engineered coatings for HCCI combustion. Herein, a modeling study was used to assess the impacts of various TBC material properties, e.g. density, thickness, and thermal conductivity on the temperature swing effect. Reducing conductivity emerged as a most promising avenue, rather than reducing both the density and effective conductivity by increasing porosity, the current work emphasizes a material with natively low conductivity. A novel TBC formulation was developed, leverages a class of materials that, to the author’s best knowledge, have not been used as a thermal barrier coating previously. Here, a systematic experimental investigation was carried out using single-cylinder research engine. Experimental engine studies utilizing the novel ‘glassy’ low-K coating exhibit advanced ignition phasing and reduced combustion duration relative to the baseline engine. Heat transfer measurements indicate a net reduction in heat flux over the entire cycle, although main effect is felt during expansion, and the reduced heat transfer losses manifest in higher gross indicated thermal efficiency by approximately 5-6% on a relative basis.

42 ENGINEERING↗
DOE OSTI2022

Development of Nanocrystalline Graphite from Lignin Sources

Carbon composites are attractive to a variety of high-impact applications, such as carbon fibers, batteries, and vehicle parts, due to their multifunctional properties. The properties of carbon are highly dependent on the allotrope the carbon takes and the functionality, impurities, and defects contained within the structure. The increase in demand for sustainable carbon sources in energy storage devices motivates interest in understanding synthesis parameters of lignin value-added products. Also, as the dependence on oil for fuel decreases, alternative sources for carbon in many applications will be needed. In this work, the thermochemical conversion of lignin powders from different feedstocks was evaluated via small and wide-angle X-ray scattering techniques to resolve the amorphous, disordered, and crystalline domains present in the lignin carbons. Scattering analyses indicated an evolution of hierarchical structures along with an increase in ordered domains as a function of carbonization temperature. Qualitative and quantitative methods were used to describe isotropic scattering intensity profiles at multiple length scales. The use of power law models in the mesoscopic region served as the basis to describe morphological changes related to structural features, for example, graphene stacking, degree of roughness, and surface fractals. Kraft softwood and switchgrass produced carbon powder with the most crystalline domains and the least surface roughness. Softwoods reached the highest degree of crystallinity followed by switchgrass samples and had less variability in particle sizes. These results suggest lignin carbons extracted from softwoods and switchgrass are viable substitutes for graphite. Interpretation of X-ray scattering data from lignin carbon powders elucidates feedstock- and processing-dependent morphological features across multiple length scales providing a straightforward framework to evaluate the feasibility of leveraging lignin carbons for producing tunable application-specific materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Circumventing thermodynamics to synthesize highly metastable perovskites: nano eggshells of SnHfO 3

Sn(II)-based perovskite oxides, being the subject of longstanding theoretical interest for the past two decades, have been synthesized for the first time in the form of nano eggshell particle morphologies. All past reported synthetic attempts have been unsuccessful owing to their metastable nature, i.e., by their thermodynamic instability towards decomposition to their constituent oxides. A new approach was discovered that finally provides an effective solution to surmounting this intractable synthetic barrier and which can be the key to unlocking the door to many other predicted metastable oxides. A low-melting KSn 2 Cl 5 salt was utilized to achieve a soft topotactic exchange of Sn(II) cations into a Ba-containing perovskite, i.e., BaHfO 3 with particle sizes of ~350 nm, at a low reaction temperature of 200 °C. The resulting particles exhibit nanoshell-over-nanoshell morphologies, i.e., with SnHfO 3 forming as ~20 nm thick shells over the surfaces of the BaHfO 3 eggshell particles. Formation of the metastable SnHfO 3 is found to be thermodynamically driven by the co-production of the highly stable BaCl 2 and KCl side products. Despite this, total energy calculations show that Sn(II) distorts from the A-site asymmetrically and randomly and the interdiffusion has a negligible impact on the energy of the system (i.e., layered vs. solid solution). Additionally, nano eggshell particle morphologies of BaHfO 3 were found to yield highly pure SnHfO 3 for the first time, thus circumventing the intrinsic ion-diffusion limits occurring at this low reaction temperature. In summary, these results demonstrate that the metastability of many theoretically predicted Sn(II)-perovskites can be overcome by leveraging the high cohesive energies of the reactants, the exothermic formation of a stable salt side product, and a shortened diffusion pathway for the Sn(II) cations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ni(OH) 2 -free NiCu as a hydrogen evolution and oxidation electrocatalyst

In this work, we investigate the role of the nickel surface oxidation and the use of additional reducing agent in the synthesis process in the electrochemical activity of NiCu electrocatalysts for hydrogen oxidation reaction and hydrogen evolution reaction. In addition, the role of the carbon support morphology is also investigated: two different supports, DENKA black and Ketjenblack with widely different properties (specific surface, proportion of low strain carbons, etc.) are studied, and no difference are observed in their electrochemical activity. However, the use 4-aminoantipyrine as a reducing agent resulted in a dramatic increase in non-oxidized Ni at the electrocatalyst’ surface, concomitant to a large increase in its activity for both the hydrogen evolution and oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Two-Dimensional Siloxene Nanosheets: Understanding the Effect of Heat Treatment on the Surface Chemistry and Resulting Electrochemistry in Lithium-Based Batteries

Two-dimensional (2D) silicon materials are conceptually appealing as negative electrode materials in lithium-ion batteries due to their layered morphology, which can accommodate (de)lithiation-induced volume changes. Herein, heat treatment of 2D Siloxene materials was used to modify the surface functional groups to determine the impact on the electrochemical behavior. Spectroscopic characterization of the heat-treated nanosheets confirmed the loss of oxygenated and hydride surface functional groups with an increased annealing temperature. Formation and disproportionation of the amorphous suboxides with increasing heat treatment were affirmed with lab and synchrotron-based measurements. A reduced irreversible capacity was observed for Siloxene with a higher temperature heat treatment consistent with the formation of a more favorable surface electrolyte interphase (SEI). A Siloxene-400||NMC622 full cell (prepared with 400 °C-annealed Siloxene (Siloxene-400) and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622)) showed significantly enhanced capacity and rate capability compared to a nano Si||NMC622 cell. Finally, these results illustrate the ability of thermal annealing to modify the surface functional groups of Siloxene and highlight the favorable impact of the appropriate surface functionality on the electrochemistry of Siloxene in lithium cells.

25 ENERGY STORAGE↗
DOE OSTI2020

The predicted shapes of voids and Xe bubbles in UO 2

Morphology is a fundamental attribute when investigating voids and bubbles in UO 2 . Here we use molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in UO 2 . The energies of the {100}, {110} and {111} surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluation of Surface Crack Formation in Photovoltaic Backsheets Using Fragmentation and Finite Element Simulations

Backsheet cracking is among the most commonly observed degradation modes of photovoltaic modules in the field. Cracks can reduce the ability of backsheets to fulfill their functions, such as protection of the modules from the environment or electrical insulation. Here, this work presents an evaluation of the degradation and cracking propensity of two backsheets during accelerated IEC TS 62788-7-2 (International Electrotechnical Commission) aging under the A3 condition with a fragmentation test using a coextruded polyamide backsheet (AAA), and a laminated multilayer backsheet with a polyethylene terephthalate core and outer layer and ethylene vinyl acetate inner layer (PPE). Results show the surface embrittlement of the AAA outer layer during exposure. A longer time of exposure causes cracks to form at lower strains during stretching and creates deeper cracks. Accordingly, Young's modulus of the outer layer increases, as measured by cross-sectional nanoindentation. PPE exhibits cracking after exposure as well. While no similar increase of modulus or crack depth can be observed, the outer layer of PPE exhibits more obvious signs of erosion during exposure, including progressive morphological changes and thickness losses. A finite element model is developed to simulate surface crack formation, based on initially zero-thickness decohesion elements. Decohesion criteria define a critical stress, at which these elements grow, and cracks can begin to form. These criteria are obtained via parameter optimization by comparison between simulation and experiment. The model is used to interpret crack formation in both backsheets.

14 SOLAR ENERGY↗