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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Chemical Imaging of Atmospheric Biomass Burning Particles from North American Wildfires

The effects of biomass burning aerosols (BBA) on radiative forcing and cloud formation depend on chemical composition and the internal structures of individual particles within smoke plumes. To improve our understanding of the chemical and physical properties of BBA emitted at different times of the day and their evolution during atmospheric aging, we conducted a study as a part of the Fire Influence on Regional to Global Environments and Air Quality field campaign. Particle samples were collected onboard a research aircraft from smoke plumes from a wildfire in eastern Oregon during late afternoon and nighttime flights on August 28, 2019. A time-resolved aerosol collector was used to collect samples on substrates for offline spectromicroscopic imaging to investigate the single-particle characteristics of BBA particles. Approximately 20,400 individual particles from 10 selected samples were analyzed using computer-controlled scanning electron microscopy coupled with energy-dispersive X-ray microanalysis, revealing their elemental composition, morphology, and viscosity. Elemental microanalysis indicated that aged potassium is likely found in the form of K 2 SO 4 , KNO 3 , and possible K-organic salts. Further chemical speciation and carbon bonding mapping within individual particles were conducted using synchrotron-based scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Real-time, water-soluble light absorption measurements were acquired using a particle-into-liquid sampler instrument coupled to a liquid waveguide capillary cell and total organic analyzer. In the late afternoon samples, 65% of the total particle number population consisted entirely of organic components, compared to 46% in the nighttime particles. These differences were attributed to discrepancies in composition at the time of emission and to the daytime condensation and accumulation of photochemically formed secondary organic material on existing BBA particles, a process that halts at night. Microscopy images indicated that particle viscosity was lower in the nighttime particles (<10 1 Pa·s), likely due to increased relative humidity and a higher contribution from hygroscopic inorganic components. The chemical heterogeneity of individual particles was quantified using STXM-derived mixing state parameters. The nature of carbon bonding within individual particles was inferred from the extent of carbon sp 2 hybridization derived from NEXAFS spectra. Average percentages of sp 2 hybridization range between 40% and 60%, with no noticeable differences between late afternoon and nighttime flights. These findings were compared with the online optical properties of both late afternoon and nighttime smoke plumes, providing valuable insights into the complex relationship between chemical composition and optical properties of BBA particles at different times of the day.

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

Achieving gigawatt-scale green hydrogen production and seasonal storage at industrial locations across the U.S

Onsite production of gigawatt-scale wind- and solar-sourced hydrogen (H 2 ) at industrial locations depends on the ability to store and deliver otherwise-curtailed H 2 during times of power shortages. Thousands of tonnes of H 2 will require storage in regions where subsurface storage is scarce, which may only be possible using liquid organic H 2 carriers. We evaluate aboveground system with a focus on providing technical insights into toluene/methylcyclohexane (TOL/MCH) storage systems in locations suitable for gigawatt-scale wind- and solar-powered electrolyzer systems in the United States. Here we show that the levelized cost of storage, at a national median of US dollar $1.84/kg-H 2 is spatially heterogeneous, causing minor impact on the cost of H 2 supply in the Midwest, and significant impact in Central California and the Southeast. While TOL/MCH may be the cheapest aboveground bulk storage solution evaluated, upfront capital costs, modest energy efficiency, reliance on critical materials and pre-sulfided catalysts, and greenhouse gas emissions from heating are opportunities for further development.

14 SOLAR ENERGY↗
DOE OSTI2023

Hierarchical thermal-conductive polymer nanocomposites for thermal management

Managing heat in electrical conductors is a major challenge to meet the demands for sustainable energy use and electrical reliability, most notably power electronics and energy-critical electrical machines. Achieving such disparate functionalities, such as high temperature thermal and electrical reliability, require rational design and manufacturing of thermal conductor material and its hierarchical structures. Here we present hierarchical thermal-conductive nanocomposites, consisting of nanostructured ceramic conformal coating and aligned ultrahigh molecular weight polyethylene fiber, to tailor heat dissipation in electric conductors. The hybrid aligned thermal interface exhibits a highly desirable temperature dependent anisotropic high thermal conductivity with 0.98W m –1 K –1 and dielectric strength with 3.4. In addition, electrically insulating thermal interfaces demonstrate high-performing and reliable electrical systems under the dynamic load conditions. The surface temperature of heterogeneous ceramic-polymer encapsulated conductor is 17.8 °C lower than that of polymer-encapsulated conductor at the same electrical load. Consequently, the findings shown here hold great promises for directing heat extraction in electrical machine systems, advancing thermal management for emerging electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The sensitive surface chemistry of Co-free, Ni-rich layered oxides: identifying experimental conditions that influence characterization results

Recent studies have suggested that Co-free, Ni-rich layered cathodes (e.g., doped LiNiO2) can provide promising battery performance for practical applications. However, these layered cathodes suffer from significant surface instability during various stages of the sample history, which generates inherent challenges for achieving stable battery performance and obtaining statistically representative characterization results. To reliably report the surface chemistry of these materials, delicate controls of stepwise sample preparation are required. In this study, we aim to reveal how the surface chemistry of LiNiO2 based materials changes with various environments, including human exhalation, sample storage, sample preparation, electrochemistry cycling, and surface doping. Our results demonstrate that the surface of these materials is highly reactive and prone to alter at various stages of sample handling and characterization. The sensitive surface could impact the interpretation of the surface chemical and structural information, including surface carbonate formation, transition metal reduction and dissolution, and surface reconstruction. Importantly, the heterogeneity of the surface degradation calls for a consolidation of nanoscale, high-resolution characterization, and ensemble-averaged methods in order to improve statistical representation. Furthermore, the doping chemistry can effectively mitigate the surface degradation and improve overall battery performance due to the enhanced surface oxygen retention. Our study highlights the necessity of strict measurements through complementary characterizations at multiple length scales to eliminate unintentional biased conclusions.

surface chemistry, Co-free Ni-rich cathodes, Istab↗
DOE OSTI2023

Toward implementing autonomous adaptive data acquisition for scanning hyperspectral imaging of biological systems

Autonomous experimentation is an emerging area of research, primarily related to autonomous vehicles, scientific combinatorial discovery approaches in materials science and drug discovery, and iterative research loops of planning, experimentation, and analysis. However, autonomous approaches developed in these contexts are difficult to apply to high-dimensional mapping technologies, such as scanning hyperspectral imaging of biological systems, due to sample complexity and heterogeneity. We briefly cover the history of adaptive sampling algorithms and surrogate modeling in order to define autonomous adaptive data acquisition as an objective-based, flexible building block for future biological imaging experimentation driven by intelligent infrastructure. We subsequently summarize the recent implementations of autonomous adaptive data acquisition (AADA) for scanning hyperspectral imaging, assess how these address the difficulties of autonomous approaches in hyperspectral imaging, and highlight the AADA design variation from a goal-oriented perspective. Finally, we present a modular AADA architecture that embeds AADA-driven flexible building blocks to address the challenge of time resolution for high-dimensional scanning hyperspectral imaging of nonequilibrium dynamical systems. In our example research-driven experimental design case, we propose an AADA infrastructure for time-resolved, noninvasive, and label-free scanning hyperspectral imaging of living biological systems. This AADA infrastructure can accurately target the correct state of the system for experimental workflows that utilize subsequent expensive, high-information-content analytical techniques.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Residual Stress Measurements in Extreme Environments for Hazardous, Layered Specimens

In nuclear fuel plates of low-enriched U-10Mo (LEU) clad with aluminum by hot isostatic pressing (HIP), post-irradiation stresses arising during reactor shutdown are a major concern for safe reactor operations. Measurement of those residual stresses has not previously been possible because the high radioactivity of the plates requires handling only by remote manipulation in a hot cell. The incremental slitting method for measuring through-thickness stress profiles was modified, and a system for automated, remote operation was built and tested. Experimental modifications consisted of replacing electric-discharge machining (EDM) with a small end mill and strain-gauge measurements with cantilever displacement measurements. The inverse method used to calculate stresses was the pulse-regularization method modified to allow discontinuities across material interfaces. The new system was validated by comparing with conventional slitting on a depleted U-10Mo (DU) fuel plate. The new system was applied to two measurements each on six as-fabricated (pre-irradiation) LEU miniature fuel plates. Variations between the measurements at two locations in the same plate were strongly correlated with measured geometrical heterogeneity in the plate—a tilt in the fuel foil. Compressive stresses in the U-10Mo were shown to increase from 20 to 250 MPa as the ratio of aluminum thickness to U-10Mo thickness increased causing increased constraint during cooling. Faster cooling rates during processing also increased stress magnitudes. The measurements trends agreed with data in the literature from similar plates made with DU, which further validates the method. Because other methods are impractical in a hot cell, the modified slitting method is now poised for the first measurements of post-irradiation stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-Entropy Metal-Organic Frameworks (HEMOFs): A New Frontier in Materials Design for CO 2 Utilization

High-entropy materials (HEMs) emerged as promising candidates for a diverse array of chemical transformations, including CO 2 utilization. However, traditional HEMs catalysts are nonporous, limiting their activity to surface sites. Designing HEMs with intrinsic porosity can open the door toward enhanced reactivity while maintaining the many benefits of high configurational entropy. Here, in this study, a synergistic experimental, analytical, and theoretical approach to design the first high-entropy metal-organic frameworks (HEMOFs) derived from polynuclear metal clusters is implemented, a novel class of porous HEMs that is highly active for CO 2 fixation under mild conditions and short reaction times, outperforming existing heterogeneous catalysts. HEMOFs with up to 15 distinct metals are synthesized (the highest number of metals ever incorporated into a single MOF) and, for the first time, homogenous metal mixing within individual clusters is directly observed via high-resolution scanning transmission electron microscopy. Importantly, density functional theory studies provide unprecedented insight into the electronic structures of HEMOFs, demonstrating that the density of states in heterometallic clusters is highly sensitive to metal composition. This work dramatically advances HEMOF materials design, paving the way for further exploration of HEMs and offers new avenues for the development of multifunctional materials with tailored properties for a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamic Interconversion of Metal Active Site Ensembles in Zeolite Catalysis

Catalysis science is founded on understanding the structure, number, and reactivity of active sites. Kinetic models that consider active sites to be static and noninteracting entities are routinely successful in describing the behavior of heterogeneous catalysts. Yet, active site ensembles often restructure in response to their external environment and even during steady-state catalytic turnover, sometimes requiring non-mean-field kinetic treatments to describe distance-dependent interactions among sites. Such behavior is being recognized more frequently in modern catalysis research, with the advent of experimental methods to quantify turnover rates with increasing precision, an expanding arsenal of operando characterization tools, and computational descriptions of atomic structure and motion at chemical potentials and timescales increasingly relevant to reaction conditions. This review focuses on dynamic changes to metal active site ensembles on zeolite supports, which are silica-based crystalline materials substituted with Al that generate binding sites for isolated and low-nuclearity metal site ensembles. Metal sites can become solvated and mobilized during reaction, facilitating interactions among sites that change their nuclearity and function. Such intersite communication can be regulated by the zeolite support, resulting in non-single-site and potentially non-mean-field kinetic behavior arising from mechanisms of catalytic action that combine elements of those canonically associated with homogeneous and heterogeneous catalysis. Here, we discuss recent literature examples that document dynamic active site behavior in metal-zeolites and outline methodologies to identify and interpret such behavior. We conclude with our outlook on future research directions to develop this evolving branch of catalysis science and harness it for practical applications.

operando characterization↗
DOE OSTI2026

Multiphysics simulation of TRISO fuel compacts and the effects of homogenization on silver release predictions

This work studies the impact of explicit and homogenized modeling approaches on the multiphysics simulation of TRistructural ISOtropic (TRISO) fuel compacts in prismatic High Temperature Gas Reactors (HTGRs) and the silver release predictions. TRISO fuel compacts exhibit complex double heterogeneity that significantly affects heat conduction, neutron transport, and fission products release. In this work, we use Cardinal, a multiphysics tool based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to couple neutron transport and heat conduction. OpenMC is used for neutron transport and the MOOSE heat transfer module is used for the heat conduction. Then, we use BISON for the silver release predictions. Two different modeling approaches—explicit modeling of individual TRISO particles and homogenized representation using effective thermal properties—are compared at high TRISO packing fractions (20% and 40%) across varying power densities. Results demonstrate that homogenization significantly under-predicts peak temperatures, for the case of high power/TRISO, there is a difference of 83.73 K in the maximum temperature. Additionally, homogenization underestimates the silver release predictions compared to explicit modeling. Specifically, the temperature and power density differences lead to significant differences in silver release predictions. This work demonstrates the importance of accurately modeling heterogeneity of the TRISO particles to reliably predict fission product release and assess reactor safety margins.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Spin-Dependent Thermoelectric Power of Nanoislands

The Seebeck effect explains the generation of electric voltage as a result of a temperature gradient. Its efficiency, defined as the ratio of the generated electric voltage to the temperature difference, is sensitive to local inhomogeneities that alter the scattering rate and the density of the conduction electrons. Spin-polarized Seebeck tunneling generates a distinct thermovoltage in spin-up and spin-down charge transport channels, which, as a key to spin caloritronics, focuses on transport phenomena related to spin and heat. Here, we report spatially resolved measurement of the spin-dependent thermovoltage in a tunneling junction formed by ferromagnetic Co nanoislands and a Ni tip using spin-dependent scanning tunneling thermovoltage microscopy (SP-STVthM). We resolve the nanoscale thermoelectric powers with respect to spin polarization, nanoisland size, stacking order of Co layers on a Cu substrate, and local sample heterogeneities. The observed thermally generated spin voltages are supported by first-principles and model calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dynamics of particle network in composite battery cathodes

We report that improving composite battery electrodes requires a delicate control of active materials and electrode formulation. The electrochemically active particles fulfill their role as energy exchange reservoirs through interacting with the surrounding conductive network. We formulate a network evolution model to interpret the regulation and equilibration between electrochemical activity and mechanical damage of these particles. Through statistical analysis of thousands of particles using x-ray phase contrast holotomography in a LiNi 0.8 Mn 0.1 Co 0.1 O 2 -based cathode, we found that the local network heterogeneity results in asynchronous activities in the early cycles, and subsequently the particle assemblies move toward a synchronous behavior. Our study pinpoints the chemomechanical behavior of individual particles and enables better designs of the conductive network to optimize the utility of all the particles during operation.

25 ENERGY STORAGE↗
DOE OSTI2022

Chemical characterisation of degraded nuclear fuel analogues simulating the Fukushima Daiichi nuclear accident

The Fukushima Daiichi accident generated degraded nuclear fuel material, mixed with other reactor components, known as molten core-concrete interaction (MCCI) material. Simulant MCCI material was synthesised, excluding highly radioactive fission products, containing depleted U, and incorporating Ce as a surrogate for Pu. Multi-modal µ-focus X-ray analysis revealed the presence of the expected suite of U-Zr-O containing minerals, in addition to crystalline silicate phases CaSiO 3 , SiO 2 -cristobalite and Ce-bearing percleveite, (Ce,Nd) 2 Si 2 O 7 . The formation of perclevite resulted from reaction between the U-Zr-O-depleted Ce-Nd-O melt and the silicate (SiO 2 ) melt. It was determined that the majority of U was present as U 4 , whereas Ce was observed to be present as Ce 3+ , consistent with the highly reducing synthesis conditions. A range of Fe-containing phases characterised by different average oxidation states were identified, and it is hypothesised that their formation induced heterogeneity in the local oxygen potential, influencing the oxidation state of Ce.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Assessment of Different Application Grades of Post-Consumer Recycled (PCR) Polyolefins from Material Recovery Facilities (MRFs) in the United States

The recycling of plastics has been gaining traction in the following years as many companies, organizations, and governments are pushing toward a more circular economy. However, plastic recycling rates are still small compared to those of plastic production, especially for polyolefins, such as high-density polyethylene (HDPE) and polypropylene (PP). With the goal of finding applications for recycled plastic resin, recyclers can face some challenges associated with the heterogeneity in the polymer properties of plastic waste streams, which could hinder the full potential of recycling due to the lack of a consistent feedstock. Here, this study assessed how an additional sorting step of recycled HDPE and PP streams, separating them into two categories based on the previous application, impacts the recycled polymer properties, such as physical, molecular, and thermal. It was demonstrated that manually separating HDPE articles previously processed by extrusion blow molding (EBM) or injection molding (IM) and PP articles by thermoforming (TF) or IM could yield recycled resins with more consistent properties, considering the significant differences between them. This highlights that an additional sorting step would allow recyclers to target more premium or currently unattainable plastic processing applications with postconsumer recycled (PCR) resins, which could significantly promote an increase in plastic recycling rates. Nevertheless, the development of new technologies is needed to automate this extra sorting step, as with the increase in scale manual sortation could not be feasible and cost-effective, reducing the attractiveness of using PCR resins in comparison to virgin ones.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the quality of tape-cast thin films of sulfide electrolytes for solid-state batteries

All-solid-state lithium batteries (ASSLBs) have the potential to increase energy density, improve safety, and allow for lower manufacturing costs compared to conventional, liquid-based Li-ion batteries. The thickness of solid electrolyte (SE) layer dictates the cell-level energy density and it is desirable to make the SE layer as thin as possible while maintaining uniformity and defect-free. Manufacturing a high- quality, thin sulfide SE layer at large-scale, however, is challenging. Previous studies have addressed the compatibility of materials used for manufacturing thin sulfide SE films, paving the way for further investigation of processing conditions and film quality. Here we report a strong correlation between the solid loading of dispersions and the quality of tape-casted thin sulfide SE films. We also demonstrate a method for quantifying the quality of thin SE films by observing both pin-hole defects and larger heterogeneous agglomerations of particles in the films. Our thin sulfide SE films containing ~5 wt% binder are defect-free and show similar ionic conductivity compared to a cold-pressed, binder-free, thick SE pellet, resulting in an ~11X reduction of area specific resistance. Here, this work on the solid loading of the dispersion used in a scalable tape casting process provides insight for manufacturing high-quality, thin sulfide SE films and to increase the cell-level energy density of ASSLB.

36 MATERIALS SCIENCE↗