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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 595 records · Page 33

CERF Visualization: Projected locations of new natural gas combined cycle power plants (with recirculating cooling) in Wyoming, USA (2020-2050)

Visualization of CERF outputs for years 2030-2050 in 5-year time steps for a region in Wyoming, USA. This visualization was built using a custom CesiumJS application. The region of interest was zoomed into and then the app shows the layered application of natural gas combined cycle power plants (with recirculating cooling) suitability criteria, show the siting for each year in planform, simulates the selection of a site using Net Locational Cost, and then zooms into to show a single functional gas plant and simulates its connection to the grid.

CERF↗

Field Programmable Gate Array Data Capture for Control Systems

Some Industrial Control Systems (ICS) networks are based on protocols such as Serial and Industrial Ethernet. These protocols currently have no existing cybersecurity monitoring tools, leaving a large gap in the cyber defense of critical infrastructure. In order to analyze such ICS traffic, it is first necessary to implement methods of capturing the ICS data. Whereas traditional methods of analyzing data would use microprocessors, the nature of high-speed analog data can be difficult to implement on such a versatile processor, as they are rather inefficient for doing a single task. Whereas Field Programmable Gate Arrays (FPGAs) provide an adequate tool in analyzing high speed data, as despite the lack of program versatility, Programmable Logic can implement a solution with minimal clock cycles, allowing time for each new packet of data to be captured before a new data sample is taken.

42 ENGINEERING↗

Agricultural impacts on nitrogen cycling: climate and air pollution

Ratios of key soil nitrogen fluxes from two terrestrial ecosystem models (TEMs) are compared to observational values in the literature. The fluxes included nitrification, denitrification, mineralization, immobilization and plant uptake, with the latter two fluxes partitioned into NH 4 + and NO 3 -. The two TEMs, ELMv1-ECA and CLM5.0, originated from a common model but have diverged in their handling of plant/microbe competition for soil mineral N. Both models predict unrealistically low assimilation (i.e, immobilization) of NO 3 - by soil bacteria compared to literature values and unrealistic dominance of plant uptake by a single form of mineral nitrogen (NO 3 - for ELM, NH 4 + for CLM5.0). Global ratios of net mineralization (i.e., gross mineralization – gross immobilization) appear unrealistically high in both models compared to literature values while rates of nitrification/gross mineralization appear unrealistically high (ELM) and low (CLM5.0). The ratio of denitrification/nitrification is likely high in both models (3:1 ELM; 2:1 CLM5.0), but few experimental data exist to evaluate these ratios, in part because nitrification and denitrification are quantified with different techniques and generally are not measured simultaneously. The same is true of plant N uptake and microbial N assimilation. Single grid point experiments with CLM5.0 at the Hubbard Brook long-term ecological research site in New Hampshire indicate that the parameterization of nitrification is a potentially important focus area that can bring soil nitrogen flux ratios into better agreement with observations. The current flux ratios raise questions about the credibility of present and future simulations of mineral N limitation on the carbon cycle.

54 ENVIRONMENTAL SCIENCES↗

Anion-tethered Single Lithium-ion Conducting Polyelectrolytes through UV-induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes

Single Li + ion conducting polyelectrolytes (SICs), which feature covalently tethered counter-anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li 0 ) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single-step UV polymerization approach. The resulting electrolyte exhibited a high Li + transference number (t + ) of 0.85 and demonstrated good Li + conductivity (6.3×10 -5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10 -5 S/cm). Benefitting from the high transference number of SIC, it displayed a three-fold higher critical current density (2.4 mA/cm 2 ) compared to DIC (0.8 mA/cm 2 ) by successfully suppressing concentration polarization-induced short-circuiting. Additionally, the t + significantly influenced the deposition behavior of Li 0 , with SIC yielding a uniform, compact, and mosaic-like morphology, while the low t + DIC resulted in a porous morphology with Li 0 whiskers. In conclusion, using the SIC electrolyte, Li 0 ||LiFePO 4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.

25 ENERGY STORAGE↗

Long–Cycling Sulfide–Based All–Solid–State Batteries Enabled by Electrochemo–Mechanically Stable Electrodes

Anode significantly determines the energy density of all-solid-state Lithium batteries (ASLBs). Silicon (Si) and Lithium (Li) metal are two of the most attractive anodes because of their ultrahigh theoretical capacities. However, most investigations focus on Li metal; the great potential of Si is underrated. This study investigates Si anode's stability, processability, and cost in ASLBs and compares them with Li metal. Moreover, the single-crystal LiNi 0.8 Co 0.1 Mn 0.1 O 2 is stabilized with a lithium silicate (Li 2 SiO x ) through a scalable sol-gel method. ASLBs with a cell-level energy density of 285 Wh kg -1 are obtained through sandwiching Si anode, thin sulfide solid-state electrolyte membrane, and interface stabilized LiNi 0.8 Co 0.1 Mn 0.1 O 2 . The full cell delivered a high capacity of 145 mAh g -1 at C/3 and maintained stability for 1000 cycles. This work inspires commercializing the ASLBs on a large scale with exciting manufacturing lines for large-scale, safe, and economical energy storage.

25 ENERGY STORAGE↗

Pt-Ligand single-atom catalysts: tuning activity by oxide support defect density

The support–metal interaction is an important element of heterogeneous catalyst design and is particularly critical for the rapidly growing field of single-atom catalysts (SACs). In this work, we investigate the impact of varying the defect density of the titania support on metal–organic Pt SACs for hydrosilylation reactions. Pt SACs are decorated on the powder titania support, employing a metal–ligand interaction with a dipyridyl-tetrazine ligand (DPTZ). The single-atom nature of Pt is verified by X-ray absorption spectroscopy (XAS) on both pristine and defective titania surfaces. These Pt species have a +2 oxidation state and are stabilized by bonding with DPTZ, surface oxygen, and residual chloride from the metal precursor. The catalytic activity is evaluated for the alkene hydrosilylation reaction and it is discovered that the activity of Pt-ligand is positively correlated with the defect density of the titania support. The turn-over number (TON) is calculated to be 12 530 for Pt SACs on a defective surface, which is significantly higher than Pt SACs on a pristine titania surface (830) for the same reaction period (10 min) under the same conditions (70 °C). We ascribe the high activity of Pt SACs on defective titania surfaces to two aspects: the coordination of Pt with more chloride than on pristine titania surfaces, which shortens the induction period of the reaction, and the preferential dispersion of Pt–DPTZ units on defective regions of titania surfaces, allowing facile contact between Pt sites and reactants. The supported Pt–DPTZ SACs show high stability through multiple cycles of batch reactions. This work demonstrates an efficient approach to improve the activity and stability of SACs by optimizing the metal–support interaction, which can also be applied to other oxide surfaces to further develop next-generation heterogeneous single-atom catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗

Methane liquefaction with an active magnetic regenerative refrigerator

This manuscript reports liquefaction of methane using an active magnetic regenerative refrigerator (AMRR). The AMRR used to cool from 285 K to 135 K has two identical regenerators fabricated with adjacent layers of four ferromagnetic refrigerants, each with sequentially lower Curie temperatures and lesser masses from hot to cold temperatures. The dual multilayer regenerators were assembled in opposition with a single cold region between them. For this set of experiments equal mass of helium gas was pumped through all layers of the regenerators during the two flow steps of the four-step AMR cycle. After successfully reaching 135 K, a compact condensing coil-fin tube heat exchanger (HEX) with a small storage vessel was mounted in the cold region of the dual regenerator assembly to be cooled during the hot-to-cold helium flow from alternatively demagnetized regenerators. The cold HEX was used to cool and liquefy a process stream of methane gas supplied at 295 K and different pressures in different runs. Further, by measuring time to liquefy a known volume of methane at three different pressures, cooling powers of the AMRR as a function of temperature were determined. The resultant data were compared to those predicted by the AMRR performance model. Conclusions from these experiments and suggestions for future work are presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

First demonstration of a cryocooler conduction cooled superconducting radiofrequency cavity operating at practical cw accelerating gradients

Abstract We demonstrate practical accelerating gradients on a superconducting radiofrequency (SRF) accelerator cavity with cryocooler conduction cooling, a cooling technique that does not involve the complexities of the conventional liquid helium bath. A design is first presented that enables conduction cooling an elliptical-cell SRF cavity. Implementing this design, a single cell 650 MHz Nb 3 Sn cavity coupled using high purity aluminum thermal links to a 4 K pulse tube cryocooler generated accelerating gradients up to 6.6 MV m −1 at 100% duty cycle. The experiments were carried out with the cavity-cryocooler assembly in a simple vacuum vessel, completely free of circulating liquid cryogens. We anticipate that this cryocooling technique will make the SRF technology accessible to interested accelerator researchers who lack access to full-stack helium cryogenic systems. Furthermore, the technique can lead to SRF based compact sources of high average power electron beams for environmental protection and industrial applications. A concept of such an SRF compact accelerator is presented.

43 PARTICLE ACCELERATORS↗

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗

Long-Range Allosteric Communication Modulated by Active Site Mn(II) Coordination Drives Catalysis in Xanthobacter autotrophicus Acetone Carboxylase

Acetone carboxylase (AC) from Xanthobacter autotrophicus is a 360 KDa α2β2γ2 heterohexamer that catalyzes the ATP-dependent formation of phosphorylated acetone and bicarbonate intermediates that react at Mn(II) metal active sites to form acetoacetate. Structural models of X. autotrophicus AC (XaAC) with and without nucleotides reveal that the binding and phosphorylation of the two substrates occurs ~40 Å from the Mn(II) active sites where acetoacetate is formed. Based on the crystal structures, a significant conformational change was proposed to open and close a tunnel that facilitates the passage of reaction intermediates between the sites for nucleotide binding and phosphorylation of substrates and Mn(II) sites of acetoacetate formation. We have employed electron paramagnetic resonance (EPR), kinetic assays, and hydrogen/deuterium exchange mass spectrometry (HDX-MS) of poised ligand-bound states and site-specific amino acid variants to complete an in-depth analysis of Mn(II) coordination and allosteric communication throughout the catalytic cycle. In contrast with the established paradigms for carboxylation, our analyses of XaAC suggested a carboxylate shift that couples both local and long-range structural transitions. Shifts in the coordination mode of a single carboxylic acid residue (αE89) mediate both catalysis proximal to a Mn(II) center and communication with an ATP active site in a separate subunit of a 180 kDa α2β2γ2 complex at a distance of 40 Å. This work demonstrates the power of combining structural models from X-ray crystallography with solution-phase spectroscopy and biophysical techniques to elucidate functional aspects of a multi-subunit enzyme.

Biochemistry & Molecular Biology↗

Representing surface heterogeneity in land–atmosphere coupling in E3SMv1 single-column model over ARM SGP during summertime

Abstract. The Earth's land surface features spatial and temporal heterogeneity over a wide range of scales below those resolved by current Earth system models (ESMs). State-of-the-art land and atmosphere models employ parameterizations to represent their subgrid heterogeneity, but the land–atmosphere coupling in ESMs typically operates on the grid scale. Communicating the information on the land surface heterogeneity with the overlying atmospheric boundary layer (ABL) remains a challenge in modeling land–atmosphere interactions. In order to account for the subgrid-scale heterogeneity in land–atmosphere coupling, we implement a new coupling scheme in the Energy Exascale Earth system model version 1 (E3SMv1) that uses adjusted surface variances and covariance of potential temperature and specific water content as the lower boundary condition for the atmosphere model. The new lower boundary condition accounts for both the variability of individual subgrid land surface patches and the inter-patch variability. The E3SMv1 single-column model (SCM) simulations over the Atmospheric Radiation Measurement (ARM) Southern Great Plain (SGP) site were performed to assess the impacts. We find that the new coupling parameterization increases the magnitude and diurnal cycle of the temperature variance and humidity variance in the lower ABL on non-precipitating days. The impacts are primarily attributed to subgrid inter-patch variability rather than the variability of individual patches. These effects extend vertically from the surface to several levels in the lower ABL on clear days. We also find that accounting for surface heterogeneity increases low cloud cover and liquid water path (LWP). These cloud changes are associated with the change in cloud regime indicated by the skewness of the probability density function (PDF) of the subgrid vertical velocity. In precipitating days, the inter-patch variability reduces significantly so that the impact of accounting for surface heterogeneity vanishes. These results highlight the importance of accounting for subgrid heterogeneity in land–atmosphere coupling in next-generation ESMs.

54 ENVIRONMENTAL SCIENCES↗

Magnetoelastic standing waves induced in UO 2 by microsecond magnetic field pulses

Significance UO 2 is of particular interest due to its use as a nuclear fuel, its unusually poor thermal conductivity, and its uniquely strong magnetoelastic properties characterized by a linear coupling between strain and magnetization. We clearly observe mechanical standing waves and elastic resonances in a single crystal, induced by microsecond magnetic field pulses. The phase and amplitude of the mechanical resonances are modulated by the piezomagnetic switching behavior, offering a sensitive probe for otherwise hard to detect magnetic dynamics in UO 2 . We highlight the importance of magnetic domains in the attenuation of the mechanical resonances and the robustness of the antiferromagnetic state in UO 2 against externally applied magnetic fields to 150 T.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Anion-tethered Single Lithium-ion Conducting Polyelectrolytes through UV-induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes

Single Li + ion conducting polyelectrolytes (SICs), which feature covalently tethered counter-anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li 0 ) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single-step UV polymerization approach. The resulting electrolyte exhibited a high Li + transference number (t + ) of 0.85 and demonstrated good Li + conductivity (6.3×10 -5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10 -5 S/cm). Benefitting from the high transference number of SIC, it displayed a three-fold higher critical current density (2.4 mA/cm 2 ) compared to DIC (0.8 mA/cm 2 ) by successfully suppressing concentration polarization-induced short-circuiting. Additionally, the t + significantly influenced the deposition behavior of Li0, with SIC yielding a uniform, compact, and mosaic-like morphology, while the low t + DIC resulted in a porous morphology with Li 0 whiskers. Using the SIC electrolyte, Li 0 ||LiFePO 4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.

25 ENERGY STORAGE↗

Review of Potential Wigner Effect Impacts on the Irradiated Graphite in Decommissioned Hanford Reactors

This review of is motivated by the need to consider future disposal of the nine surplus Hanford Site production reactors (B, C, D, DR, F, H, KE, KW, and N) that are decommissioned as part of the Hanford Site Composite Analysis. The B Reactor has been designated as a museum. The other eight reactors will be evaluated in a future performance assessment before a final disposal facility can be authorized to construction or to receive this waste form. After a performance assessment is available, then the Hanford Site Composite Analysis would be updated to account for this additional source term. Disposal is currently assumed to occur in calendar year 2070 by one-piece removal to a projected disposal facility in the 200 West Area of the Hanford Site Central Plateau. The N Reactor core may also be disposed analogously to the single-pass reactors. It will further assume that the B Reactor will remain a museum permanently. The U.S. Department of Energy studied at least five decommissioning alternatives for long-term, safe management of radionuclide-contaminated materials inside the eight single-pass reactors (DOE/EIS-0119-FEIS, Decommissioning of Eight Surplus Production Reactors at the Hanford Site, Richland, Washington).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mechanical properties and microstructure of 316L stainless steel produced by hybrid manufacturing

Hybrid manufacturing is a combination of additive (deposition) and subtractive (machining) manufacturing in a single machine tool. Such a system can be used for near net shape manufacturing and component repair using either similar or dissimilar materials. Integrated into a single system, transition between additive and subtractive manufacturing can occur immediately and be leveraged to generate large components by alternating between the processes. In this investigation, we show how the interleaved capabilities can reduce overall cycle time by up to 68 %, improve average relative elongation to failure by 71 %, and reduce the average relative porosity fraction by 83 % when compared to traditional additive manufactured components. Results from this investigation builds the foundation needed for hybrid manufacturing to be applicable towards the manufacture of large complex components such as nosecones and marine propulsors.

36 MATERIALS SCIENCE↗

Reaction Pathways over ZnZrO 2 -Based Catalysts and Catalytic Sorbents

Reactive capture and conversion (RCC) is a process intensification approach that integrates CO 2 capture and hydrogenation within a single unit, removing the CO 2 purification and storage steps of traditional process flow schemes. This alters the catalytic step from a traditional steady-state (SS) flow process to a transient capture and conversion cycle, which could lead to product distributions distinct from those observed in conventional SS experiments. Such differences are investigated in the combined capture and hydrogenation of carbon dioxide to methanol over a ZnZrO 2 catalyst and a ZnZrO 2 + NaNO 3 /Mg 3 AlO x catalytic sorbent (CS) using fixed-bed kinetic measurements, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and steady-state isotopic transient kinetic analysis-DRIFTS (SSITKA-DRIFTS). Under SS conditions, ZnZrO 2 produced methanol through sequential hydrogenation of HCOO* and CH 3 O* intermediates. On the contrary, CO was attributed primarily to CO 2 dissociation at oxygen vacancies, as supported by isotopic shifts and measured reaction orders. For the CS, isotopic switching experiments suggested that monodentate carbonate species (CO 3 2− , abbreviated as m-CO 3 2− ) act as active intermediates that can be hydrogenated to HCOO* and subsequently to CH 3 O. Under RCC conditions, in situ DRIFTS and isotopic experiments reveal that m-CO 3 2− species formed during the CO 2 capture step follow two competing routes upon H 2 exposure: (i) direct hydrogenation to methane on the sorbent domain or (ii) migration of m-CO 3 2− to the ZnZrO 2 domain, where they are hydrogenated to methanol through the HCOO pathway. Overall, RCC enables carbonate hydrogenation routes not observed under SS cofeed conditions. Thus, the reaction pathways and rates during RCC can be different from operation under conventional SS conditions, and the product distribution is determined here by competition between carbonate hydrogenation on sorbent sites and migration to ZnZrO 2 for methanol synthesis.

CCUS↗

Siderophore-Mediated Mobilization of Manganese Limits Iron Solubility in Mixed Mineral Systems

Recent laboratory and field studies show the need to consider the formation of aqueous Mn(III)-siderophore complexes in manganese (Mn) and iron (Fe) geochemical cycling, a shift from the historical view that aqueous Mn(III) species are unstable and thus unimportant. In this study, we quantified Mn and Fe mobilization by desferrioxamine B (DFOB), a terrestrial bacterial siderophore, in single (Mn or Fe) and mixed (Mn and Fe) mineral systems. We selected manganite (γ-MnOOH), δ-MnO 2 , lepidocrocite (γ-FeOOH), and 2-line ferrihydrite (Fe 2 O 3 ·0.5H 2 O) as relevant mineral phases. We found that DFOB mobilized Mn(III) as Mn(III)-DFOB complexes to varying extents from both Mn(III,IV) oxyhydroxides but reduction of Mn(IV) to Mn(III) was required for the mobilization of Mn(III) from δ-MnO 2 . The initial rates of Mn(III)-DFOB mobilization from manganite and δ-MnO 2 were not affected by the presence of lepidocrocite but decreased by a factor of 5 and 10 for manganite and δ-MnO 2 , respectively, in the presence of 2-line ferrihydrite. Additionally, the decomposition of Mn(III)-DFOB complexes through Mn-for-Fe ligand exchange and/or ligand oxidation led to Mn(II) mobilization and Mn(III) precipitation in the mixed-mineral systems (~10% (mol Mn/mol Fe)). As a result, the concentration of Fe(III) mobilized as Fe(III)-DFOB decreased by up to 50% and 80% in the presence of manganite and δ-MnO 2 , respectively, compared to the single mineral systems. Our results demonstrate that siderophores, through their complexation of Mn(III), reduction of Mn(III,IV), and mobilization of Mn(II), can redistribute Mn to other soil minerals and limit the bioavailability of Fe in natural systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗