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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 109 records · Page 6

Organometallic complexes as preferred precursors to form molecular Ir(pyalk) coordination complexes for catalysis of oxygen evolution

Our previously reported ‘blue solution’ oxygen-evolution catalyst consists of an isomeric mixture of coordination complexes containing the (pyalk)Ir IV –O–Ir IV (pyalk) core unit and is thus entirely molecular but only when formed from organometallic precursors such as Cp*Ir(pyalk)Cl or Ir(pyalk)(CO) 2 (pyalk = (2-pyridyl)-2-propanolate). We now show that attempts to form it from such obvious coordination precursors as Na[Ir(pyalk)Cl 4 ] or Na[IrCl 2 (pyalk)(O 2 CPh) 2 ], under a variety of conditions, always fail in our hands, leading to a mixture of molecular ‘blue solution’ species and IrO x nanoparticles, rather than the purely homogeneous catalyst formed from organometallic precursors. The loss of the pyalk ligand during the oxidative activation is associated with the nanoparticle generation. External chelating ligands also failed to stop the nanoparticle formation. This work implies the paradoxical conclusion that organometallic complexes are effective as catalyst precursors, even when coordination complexes are the catalytically active species, since the inner-sphere organometallic ligands, although ultimately lost or degraded, may nevertheless have a stabilizing effect sufficient to suppress undesirable nanoparticle production pathways in the activation of the catalyst precursor. Finally, a key aspect of the present study is that organometallic complexes in general may be useful catalyst precursors even if the organometallic ligands are lost in the activation process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Visualization, understanding, and mitigation of process-induced-membrane irregularities in gas diffusion electrode-based polymer electrolyte membrane fuel cells

Polymer electrolyte membrane fuel cells (PEMFC) show substantial promise for their application in electric vehicles. For large-scale manufacturing of PEMFCs, roll-to-roll coated gas-diffusion-electrodes (GDE) offer certain advantages over other production pathways. Procedures including hot pressing and coating an ionomer overlayer may be necessary for this manufacturing pathway to enable a suitable catalyst layer/membrane interface. The same procedures may potentially introduce membrane irregularities, especially when thin membranes are used. Limited understanding exists regarding if and to what extent such irregularities impact PEMFC performance and lifetime, and therefore be considered defects. In this study, NREL's customized fuel cell hardware that enables quasi in-situ infrared (IR) thermography studies was utilized to visualize spatial hydrogen crossover and identify membrane irregularities that originated from the GDE-based MEA fabrication process. The structure of these membrane irregularities was investigated by scanning electron microscopy (SEM) and its impact on initial H2/air performance was determined. Accelerated stress testing (AST) revealed that these irregularities develop into failure point locations. These results were validated across many MEAs with identified process-induced membrane irregularities. By selecting specific gas diffusion media properties and by fine tuning the MEA hot pressing parameters, the formation of such membrane irregularities was mitigated.

08 HYDROGEN↗

Influence of “Non-Interacting” Flux Concentration in Metallic Flux Growth Synthesis

In situ experiments probing the mechanisms of flux growth synthesis above 1100 °C, though challenging, enable direct observation of synthetic pathways, products, and metastable phases. In this study, in situ powder X-ray diffraction of flux growth synthesis up to 1200 °C was employed to investigate the role of Sn flux in the synthesis of praseodymium cobalt germanides. We demonstrate that metallic fluxes, with minimal incorporation into the target compounds, significantly influence the reaction products of flux growth synthesis of intermetallic compounds. Furthermore, the validation of in situ experiments with bulk synthesis is also presented.

36 MATERIALS SCIENCE↗

Cost and Carbon Intensity Implications of Coprocessing Sustainable Aviation Fuel at Petroleum Refineries

Sustainable aviation fuel (SAF) will play a critical role in decarbonizing the aviation industry. Among SAF production pathways, alcohol-to-jet (ATJ) stands out for its scalability, supported by abundant feedstock availability and a well-established bioethanol industry. However, significant reductions in SAF carbon intensity (CI) require the use of future feedstocks (e.g., cellulosic) whose adoption is hindered by high capital costs for feedstock processing and ethanol upgrading. Here, we evaluate the financial viability and environmental implications of integrating an ATJ SAF biorefinery within a petroleum refinery, utilizing miscanthus and switchgrass as example feedstocks. Three scenarios are evaluated: standalone (benchmark), colocated, and repurposing (coprocessing SAF within the petroleum refinery). Results show repurposing reduces baseline capital costs by 36% and SAF minimum selling price (MSP) by 12% to 8.14 USD·gal −1 ; the superior performance of repurposing is consistent across both feedstocks. Integration has a limited effect on SAF CI, which remains stable across scenarios, whereas using cellulosic feedstocks reduces CI by over 70% relative to corn, with baseline values of 17.01 g CO 2 e· MJ −1 for miscanthus and 12.23 g CO 2 e·MJ −1 for switchgrass. Global sensitivity analysis reveals MSP declines with greater coprocessing levels.

09 BIOMASS FUELS↗

Stable Methane Isotopologues From Northern Lakes Suggest That Ebullition Is Dominated by Sub‐Lake Scale Processes

Abstract Stable isotopes have emerged as popular study targets when investigating emission of methane (CH 4 ) from lakes. Yet little is known on how isotopic patterns conform to variations in emission magnitudes—a highly relevant question. Here, we present a large multiyear data set on stable isotopes of CH 4 ebullition (bubbling) from three small adjacent subarctic lakes. The δ 13 C‐CH 4 and δD‐CH 4 range from −78.4‰ to −53.1‰ and from −369.8‰ to −218.8‰, respectively, and vary greatly among the lakes. The signatures suggest dominant hydrogenotrophic methanogenesis, particularly in the deep zones, but there are also signals of seemingly acetoclastic production in some high fluxing shallow areas, possibly fueled by in situ vegetation, but in‐sediment anaerobic CH 4 oxidation cannot be ruled out as an alternative cause. The observed patterns, however, are not consistent across the lakes. Neither do they correspond to the spatiotemporal variations in the measured bubble CH 4 fluxes. Patterns of acetoclastic and hydrogenotrophic production plus oxidation demonstrate that gains and losses of sediment CH 4 are dominated by sub‐lake scale processes. The δD‐CH 4 in the bubbles was significantly different depending on measurement month, likely due to evaporation effects. On a larger scale, our isotopic data, combined with those from other lakes, show a significant difference in bubble δD‐CH 4 between postglacial and thermokarst lakes, an important result for emission inventories. Although this characteristic theoretically assists in source partitioning studies, most hypothetical future shifts in δD‐CH 4 due to high‐latitude lake area or production pathway are too small to lead to atmospheric changes detectable with current technology.

54 ENVIRONMENTAL SCIENCES↗

Controls on Stable Methane Isotope Values in Northern Peatlands and Potential Shifts in Values Under Permafrost Thaw Scenarios

Abstract Northern peatlands are a globally significant source of methane (CH 4 ), and emissions are projected to increase due to warming and permafrost loss. Understanding the microbial mechanisms behind patterns in CH 4 production in peatlands will be key to predicting annual emissions changes, with stable carbon isotopes (δ 13 C‐CH 4 ) being a powerful tool for characterizing these drivers. Given that δ 13 C‐CH 4 is used in top‐down atmospheric inversion models to partition sources, our ability to model CH 4 production pathways and associated δ 13 C‐CH 4 values is critical. We sought to characterize the role of environmental conditions, including hydrologic and vegetation patterns associated with permafrost thaw, on δ 13 C‐CH 4 values from high‐latitude peatlands. We measured porewater and emitted CH 4 stable isotopes, pH, and vegetation composition from five boreal‐Arctic peatlands. Porewater δ 13 C‐CH 4 was strongly associated with peatland type, with δ 13 C enriched values obtained from more minerotrophic fens (−61.2 ± 9.1‰) compared to permafrost‐free bogs (−74.1 ± 9.4‰) and raised permafrost bogs (−81.6 ± 11.5‰). Variation in porewater δ 13 C‐CH 4 was best explained by sedge cover, CH 4 concentration, and the interactive effect of peatland type and pH (r 2 = 0.50,p < 0.001). Emitted δ 13 C‐CH 4 varied greatly but was positively correlated with porewater δ 13 C‐CH 4 . We calculated a mixed atmospheric δ 13 C‐CH 4 value for northern peatlands of −65.3 ± 7‰ and show that this value is more sensitive to landscape drying than wetting under permafrost thaw scenarios. Our results suggest northern peatland δ 13 C‐CH 4 values are likely to shift in the future which has important implications for source partitioning in atmospheric inversion models.

Environmental Sciences & Ecology↗

Life cycle energy use and greenhouse gas emissions of ammonia production from renewable resources and industrial by-products

Conventionally, ammonia is produced from natural gas via steam methane reforming (SMR), water-gas shift reaction, and the Haber–Bosch process. The process uses fossil natural gas, which leads to 2.6 metric tons of life cycle greenhouse gas (GHG) emissions per metric ton of ammonia produced. With ammonia being the second most produced chemical in the world, its production accounts for approximately 2% of worldwide fossil energy use and generates over 420 million tons of CO 2 annually. To reduce its carbon intensity, ammonia synthesis relying on renewable energy or utilizing by-products from industrial processes is of interest. In this work, we conduct a life cycle analysis of conventional and alternative ammonia production pathways by tracking energy use and emissions in all conversion stages, from the primary material and energy resources to the ammonia plant gates. Of all the alternative pathways, obtaining N 2 from cryogenic distillation and H 2 from low-temperature electrolysis using renewable electricity has the lowest cradle-to-plant-gate GHG emissions, representing a 91% decrease from the conventional SMR pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A rapid embodied carbon assessment tool for priority materials

Embodied carbon limits within building materials are a driving factor in global trade, generating new research and analysis tools in industry. These product assessments, which require utilizing life-cycle assessment (LCA) across broad supply chains, can be expensive, time and data-intensive, and subject to significant variations. Existing methods and tools, such as specific environmental product declarations, typically do not capture these variations and dynamics in supply and manufacturing. Moreover, models and tools must enable stakeholders to assess customized supply chains and future scenarios. In this study, we present the Rapid Embodied Carbon Assessment and Target-setting for Emissions-intensive Materials (REDuCE) tool for building materials. We developed a tool that allows users to select production technologies, transportation mode and distances, concrete carbonation, fuel sources, and regional electricity mixes to supply customization for cement and concrete produced and consumed in California. We generated and integrated a material demand model using residential building stock projections. We provide the user with a wide range of mitigation alternatives through low-carbon production pathways, material use efficiency, transportation modes, and projected electricity grid mixes. In a case study application through four mitigation scenarios, we find emission savings up to 80% by maximizing user mitigation alternatives, primarily driven by reductions in material use intensities. This work represents a foundation for expanding LCA and embodied carbon tools to better enable stakeholders to rapidly and accurately assess customized supply chains while meeting trade requirements.

building materials↗

Sulfide stress tolerance as a controller of methane production in temperate wetlands

Abstract Wetlands are a major source of methane emissions and contribute to the observed increase in atmospheric methane over the last 20 years. Methane production in wetlands is the final step of carbon decomposition performed by anaerobic archaea. Although hydrogen/carbon dioxide and acetate are the substrates most often attributed to methanogenesis, other substrates—such as methylated compounds—may additionally play important roles in driving methane production in wetland systems. Here we conducted mesocosm experiments combined with genome-resolved metatranscriptomics to investigate the impact of diverse methanogenic substrate amendment on methanogenesis in two high methane-emitting wetlands with distinct geochemistry, termed P7 and P8. Methanol amendment resulted in high methane production at both sites, whereas acetate and formate amendment only stimulated methanogenesis in P7 mesocosms, where aqueous sulfide concentrations were lower. In P7 sediments, formate amendment fueled acetogenic microbes that produced acetate, which was subsequently utilized by acetoclastic methanogens. In contrast to expression profiles in P7 mesocosms, active methylotrophic methanogen genomes from P8 showed increased expression of genes related to membrane remodeling and DNA damage repair, indicative of stress tolerance mechanisms to counter sulfide toxicity. Methylotrophic methanogenesis generates higher free energy yields than acetoclastic methanogenesis, which likely enables allocation of more energy toward stress responses. These findings contribute to the growing body of literature highlighting methylotrophic methanogenesis as an important methane production pathway in wetlands. By using less competitive substrates like methanol that provide greater energy yields, methylotrophic methanogens may invest in physiological strategies that provide competitive advantages across a range of environmental stresses.

Environmental Sciences & Ecology↗

Amino Acids Dominate Diffusive Nitrogen Fluxes in Acidic Tussock Tundra

Organic nitrogen (N) is abundant in soils, but early conceptual frameworks considered it nonessential for plant growth. It is now well recognised that plants have the potential to take up organic N. However, it is still unclear whether plants supplement their N requirements by taking up organic N in situ: at what rate is organic N diffusing towards roots and are plants taking it up? In this work, we combined microdialysis with live-root uptake experiments to measure amino acid speciation and diffusion rates towards roots of Eriophorum vaginatum. Amino acid diffusion rates (321 ng N cm -2 h -1 ) were c. 3× higher than those for inorganic N. Positively charged amino acids made up 68% of the N diffusing through soils compared with neutral and negatively charged amino acids. Live-root uptake experiments confirmed that amino acids are taken up by plants (up to 1 µg N g -1 min -1 potential net uptake). Amino acids must be considered when forecasting plant-available N, especially when they dominate the N supply, and when acidity favours proteolysis over net N mineralisation. Determining amino acid production pathways and supply rates will become increasingly important in projecting the extent and consequences of shrub expansion, especially considering the higher C : N ratio of plants relative to soil.

54 ENVIRONMENTAL SCIENCES↗

ASCENT: a balloon-borne hard x-ray imaging spectroscopy telescope using transition edge sensor microcalorimeter detectors

Core collapse supernovae are thought to be one of the main sources in the galaxy of elements heavier than iron. Understanding the origin of the elements is thus tightly linked to our understanding of the explosion mechanism of supernovae and supernova nucleosynthesis. X-ray and gamma-ray observations of young supernova remnants, combined with improved theoretical modeling, have resulted in enormous improvements in our knowledge of these events. Here, the isotope Ti44 is one of the most sensitive probes of the innermost regions of the core collapse engine, and its spatial and velocity distribution are key observables. Hard x-ray imaging spectroscopy with the Nuclear Spectroscopic Telescope Array (NuSTAR) has provided new insights into the structure of the supernova remnant Cassiopeia A (Cas A), establishing the convective nature of the supernova engine. However, many questions about the details of this engine remain. We present here the concept for a balloon-borne follow-up mission called A SuperConducting ENergetic x-ray Telescope (ASCENT). ASCENT uses transition edge sensor gamma-ray microcalorimeter detectors with a demonstrated 55-eV full-width half maximum energy resolution at 97 keV. This 8- to 16-fold improvement in energy resolution over NuSTAR will allow for high-resolution imaging and spectroscopy of the Ti44 emission. This will allow for a detailed reconstruction of gamma-ray line redshifts, widths, and shapes, allowing us to address questions such as, What is the source of the neutron star kicks? What is the dominant production pathway for Ti44? Is the engine of Cas A unique?

79 ASTRONOMY AND ASTROPHYSICS↗

Influence of Supporting Electrolyte on Hydroxide Exchange Membrane Water Electrolysis Performance: Anolyte

Hydroxide-exchange-membrane water electrolysis (HEMWE) is an emerging hydrogen-production pathway that combines many advantages of incumbent alkaline water electrolysis (AWE) and proton-exchange-membrane water electrolysis (PEMWE). Advancement in HEMWE has been accelerated with the development of stable and conductive hydroxide exchange membranes (HEMs) and a more comprehensive understanding of alkaline gas-evolving kinetics. However, performance and durability without supporting electrolytes (SELs) remain inferior to PEMWE and AWE and little is known about the role and impact of the SELs. This study investigates the effects of SELs used as anolyte solutions in HEMWEs including cation-type, anion-type, SEL conductivity and pH, presence of carbonates and increased cation/OH- ratios on cell voltage and stability. We report our findings that (i) cell potential and high-frequency resistance did not correlate with anolyte SEL conductivity, (ii) cation-type influences cell voltage at low current densities (<50 mA cm -2 ) as predicted by half-cell measurements, (iii) increased cation/OH- ratio causes increased overpotentials, and (iv) carbonates are exchanged in the HEM but removed via self-purging at high current density. Overall, this study concludes that concentrated KOH is still the best SEL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deuteron-induced reactions on natural Zr from threshold to 50 MeV: production of 86g Y

Two stacks of thin Zr foils were irradiated with 30 and 50 MeV deuterons, respectively, using the Lawrence Berkeley National Laboratory 88-Inch Cyclotron, and 19 excitation functions for nat Zr(d,x) reactions were measured over a beam energy range of 6.3–47.64 MeV, where the independent cross sections for nat Zr(d,x) 88 Nb and nat Zr(d,x) 86m,g Y were measured for the first time. The well-characterized nat Fe(d,x) 56 Co, nat Ni(d,x) 56 Co, nat Ni(d,x) 58 Co, nat Ni(d,x) 61 Cu, nat Ti(d,x) 46 Sc and nat Ti(d,x) 48 V monitor reactions were used to determine the deuteron beam current throughout the stacks. All cross sections were determined using High Purity Germanium (HPGe) detector γ-ray spectroscopy. A variance minimization technique was employed to simultaneously constrain the deuteron beam currents with multiple monitor reactions, thus reducing systematic uncertainties. An additional 16 channels are reported for reactions on the nickel, titanium, and iron monitor foils, leading to a total of 35 excitation functions, with seven reaction channels reported for the first time in this work. The measured excitation functions are compared to calculations provided by the reaction modeling codes TALYS – 2.0, ALICE – 2020, CoH – 3.5.3 and EMPIRE – 3.2.3, as well as the TENDL – 2023 data library. The degree of agreement between theory and experiments is discussed. The possible production of the important PET radionuclide 86g Y via the nat Zr(d,x) route was critically examined. The physical yields for nat Zr(d,x) 86 Y and other yttrium isotopes produced were calculated and compared to other production pathways. Due to high-level of associated radionuclide impurities, this route cannot deliver 86g Y suitable for medical applications.

86gY↗

Methyl propyl ether combustion

Ethers are potential diesel blendstocks that have high cetane numbers and identified cost-effective production pathways. Among ethers, methyl propyl ether (MPE) is a small enough molecule to build a good detailed model for and a large enough molecule for studying key intramolecular hydrogen migrations involved in low-temperature feedback loops for larger ethers. In this study, a model was generated for the combustion of MPE from 600-900 K and 10-20 bar using the Reaction Mechanism Generator (RMG) package. Results from rapid compression machine (RCM) experiments were used to validate the kinetic model. At low temperatures, the generated model successfully captured the dominant low-temperature feedback loops. At higher temperatures, propanal is a major combustion intermediate for PME, suggesting that aldehydes likely play a significant role in larger ethers' combustion.

09 BIOMASS FUELS↗

Technology Enabling Zero-EPZ Micro Modular Reactors: Fabrication of Zirconium Hydride with Controlled Hydrogen Loading

This report completes Milestone M2.2.2 - ZrH pellet fabricated with controlled hydride loading: ZrH1.5±0.1 single phase pellets fabricated with controlled and thermally stable hydride loading. Hydrogen content to be quantified and single-phase confirmed by X-ray diffraction. In this milestone, we report the successful fabrication of delta-phase zirconium hydride pellets using the ORNL bulk metal hydriding system. The successful deployment of zirconium hydride moderator in advanced reactors requires development of a consistent and affordable production pathway along with implementation of a hydrogen retention solution throughout the reactor life. Fabrication of delta-phase zirconium hydride is challenging since the absorption of a large amount of hydrogen into alpha-zirconium induces significant volume expansion and the present hydrogen concentration gradient results in cracking. A fully programmable hydriding system with continuous hydrogen partial pressure and flow control to facilitate processing of massive metal hydride has been developed at ORNL. In this report, the working principle of the hydriding system will be introduced. Characterization of the produced zirconium hydride includes X-ray powder diffraction to identify the present phases and X-ray Computed Tomography to visualize the internal microstructure (including cracks). The results indicate that single delta-phase zirconium hydride pellets with various sizes have been successfully produced.

36 MATERIALS SCIENCE↗

Updated Manufactured Cost Analysis for Proton Exchange Membrane Water Electrolyzers

Enabling rapid and extensive decarbonization within the electric power and industrial sectors is likely to require high levels of renewable energy deployment, supported by technologies that store and transform renewable electricity into other useful forms. Within hard to decarbonize sectors such as organic chemicals and heavy-duty transportation, the use of low-carbon intensity hydrogen as a fuel and chemical building block is emerging as a near-term alternative to reduce their fossil-fuel dependency. Water splitting electrolysis to produce hydrogen requires only water and electricity as inputs, eliminating the use of natural gas in steam methane reforming, which is the conventional hydrogen production pathway. When powered by low-carbon electricity, electrolysis represents an important pathway towards cross-sectoral decarbonization.

08 HYDROGEN↗

Massachusetts and New England Sustainable Aviation Fuel Study

The Massachusetts Port Authority established a project to assess feedstock availability to produce SAF near 10 New England airports. A techno-economic analysis was conducted to determine renewable fuels and SAF that could be produced from these feedstocks. The resource assessment found municipal solid waste, woody biomass, and food waste were most abundant. The techno-economic analysis found that potential fuel production varied widely based on location, feedstock, and technology production pathway ranging from 1 to 369 million gallons of gasoline equivalent per year. An assessment of infrastructure readiness to handle SAF was conducted. It was determined that SAF produced outside of New England should be blended in other regions with more capacity and flexibility and delivered to New England as Jet A is today. For SAF produced in New England, there are terminals that have existing infrastructure to receive, blend, and distribute SAF/Jet A blends.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗