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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 325 records · Page 18

Deciphering volume changes in Li-S solid-state battery components during cycling: Implication for advanced battery design

Here, in this work, we developed custom fixtures to investigate the mechanical and electrochemical behavior of all-solid-state lithium batteries during cycling under constant pressure and constant volume conditions. We successfully monitored vertical displacements during constant pressure cycling and pressure variations during constant volume cycling, allowing us decouple volume changes in the sulfur, Li 2 S cathodes, LixIn anode, and solid-state electrolyte. Scanning electron microscopy and electrochemical impedance spectroscopy confirmed that two structural changes occur during ASSLB cycling: (1) irreversible fractures in the active material particles, and (2) void formation within the electrode matrix. While the fractures in primary particles are permanent, void formation can be mitigated through stack pressure, which promotes particle rearrangement in the electrode matrix. Our findings emphasize the importance of stack pressure in maintaining the microscale integrity of all-solid-state lithium batteries, preventing void formation and enhance battery performance and durability.

Cell Design↗

Ionization-driven competitive (recovery) process in pre-damaged KTaO 3 : A brief review

The nuclear (S n ) and electronic (S e ) energy dissipation processes have been considered to be independent and largely uncorrelated, influencing our understanding of ion–solid interaction and damage processes in the last decades. Recently, however, it has become more generally accepted that S n and S e are coupled as they interact both in time and space. To decouple these processes, separating these effects in experiments using sequential dual-beam irradiations have become accepted as the logical path to advance the understanding of complex interactions between S e and pre-existing defects that may be created from displacement events. This experimental approach has been recently applied to studies of KTaO 3 to reveal new insights into this critical research topic. Here, we offer a forward-looking and comprehensive perspective on the fundamental coupling between Se and pre-existing defects in KTaO 3 . The origins behind the competitive two-stage phase transition process leading to damage healing are revealed and discussed. Furthermore, the evidence resulting from synergistic effects is also included for comparison. Additionally, our findings are rationalized using both Se and the ion velocity as key parameters. We highlight how the inelastic thermal spike (i-TS) calculations provide insights into the nature of this coupled process and further confirm that the ion velocity effect governs annealing kinetics. This work emphasizes that through the introduction of a small amount of local disorder in materials, MeV ion irradiation (i.e., not extreme S e ) may also be one additional option in subsequent material modification and functionalization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Molecular dynamics study of interstitial He clusters in nickel

This study presents a molecular dynamics analysis focusing on the behavior of interstitial helium (He) clusters in nickel (Ni), examining their formation, stability, and migration energetics. Consistent with previous research, we found that the binding energies of interstitial helium within a helium cluster are positive and increase with the cluster size, indicating a preference for helium atoms to cluster together. However, our findings also reveal that while the formation energy increases monotonically with cluster size, the increase in binding energy is non-monotonic. Importantly, small He clusters were observed to be thermally unstable at reactor operational temperatures (approximately 600 K), with the He 2 cluster exhibiting instability even at room temperature. With a binding energy of 0.49 eV for a He 4 cluster, we hypothesize that for helium bubbles to form via homogeneous nucleation (i.e., through trap mutation) at reactor operating temperatures, the helium concentration must be high enough to facilitate the formation of helium clusters of at least size 4 or larger. As expected, interstitial helium and small helium clusters are highly mobile. This mobility was observed not only at room temperature but also at temperatures as low as approximately 200 K. Furthermore, the mean squared displacement method has been utilized to determine the migration barriers and the corresponding prefactors for clusters ranging from He 1 to He 6

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Slender-body approach for computing second-order wave loads in the frequency domain

This work presents a slender-body approach to evaluate the second-order wave loads acting on a floating structure in the frequency domain. The approach is in the same spirit as the common use of Morison’s equation to approximate the wave loads without solving the radiation/diffraction problem. To do so, we employ Rainey’s equation, which can be seen as an extension of the inertial part of Morison’s equation to include nonlinear effects. We introduce modifications to Rainey’s formulation in order to evaluate wave kinematics at the mean body position instead of the original approach of considering instantaneous displacements. We also propose a simple approximation to partially account for wave scattering effects on the second-order loads based on the analytical solution of a surface-piercing bottom-mounted vertical circular cylinder. Though limited to structures composed of cylinders, this slender-body approach is orders of magnitude faster than computing second-order wave coefficients with a radiation/diffraction code. We implemented this approach for difference-frequency (slow drift) loads in an open-source frequency-domain floating wind turbine model. We present comparisons against results obtained with radiation/diffraction theory for three reference floating wind turbine designs: the OC3-Hywind spar, the OC4-DeepCwind semisubmersible, and the VolturnUS-S semisubmersible. In general, the results show that the proposed slender-body approach with the correction to approximate wave scattering effects provides useful estimations of the difference-frequency wave loads and the resulting motions of the floater.

17 WIND ENERGY↗

Packing fraction control during additive manufacturing of powder green bodies

The demand for high performance ceramic and metal components with complex geometry necessitates developments in powder handling and green body shaping. Here, in this study, vibrational powder deposition is adapted to three-dimensional printing with the ability to modulate packing fraction during printing. Boron carbide powder with sub-micron primary particle size is printed over a packing fraction range of 25.0 % to 46.5 % (below the poured density to above the tapped density). Solid metal powders are printed at 67.5 %, which enables novel freestanding, vertical-walled features without binder. These capabilities introduce opportunities for more complex geometries in high-performance materials, e.g. large-scale uniaxial hot-pressing of ceramic ballistic armor components with graded thickness and three-dimensional curved or stepped features (by compensating for displacement differences during compaction). This technology also enables multi-material patterning of additive manufacturing powder beds with reduced feedstock quantity requirements and wastage.

36 MATERIALS SCIENCE↗

Flame stabilization in DME spray flames under engine-relevant conditions characterized by OH* chemiluminescence and formaldehyde laser-induced fluorescence

The transient and quasi-steady flame structures of Dimethyl Ether (DME) fuel sprays, produced by a single-hole injector (Spray D), were investigated using Planar Laser-Induced Fluorescence (PLIF) and chemiluminescence imaging in a constant-volume chamber under Engine Combustion Network (ECN) Spray A conditions (900 K ambient temperature, 60 bar ambient pressure, 1500 bar injection pressure, and 22.8 kg/m 3 ambient density). Low-temperature chemical reaction zones were visualized using formaldehyde (CH 2 O) PLIF with 355 nm excitation, while high-temperature flame regions were captured via chemiluminescence imaging of excited-state hydroxyl radicals (OH*). Both transient and quasi-steady flame structures clearly show the transition from CH 2 O to OH*, highlighting the progression from low- to high-temperature combustion, while the position of the flame is displaced for DME compared to reference hydrocarbon n-dodecane. Homogeneous reactor calculations with detailed chemistry and using adiabatic mixing for initial temperature show that CH 2 O peaks are significantly higher for DME at the same equivalence ratio, with a higher heat-release during the cool-flame regime with respect to the fuel heating value. Thus, the cool-flame dynamic as a precursor to high-temperature combustion and flame stabilization exhibit distinct behavior for DME relative to conventional hydrocarbons, and these phenomena are effectively resolved through the soot-free nature of DME and the high-speed, time-resolved diagnostics.

CH2O laser-induced fluorescence↗

Wind-induced torsion of parabolic trough collectors in operation

Parabolic trough collector (PTC) systems, a type of concentrating solar power (CSP), use parabolic mirrors to reflect the sun's rays toward an absorber tube to heat the fluid inside. PTCs track the sun throughout the day and are sensitive to angular misalignment, which reduces optical performance. Torsion of the PTC, exacerbated by wind loading, contributes to angular misalignment, which has been quantified by previous studies using numerical simulations and experimental tests. However, angular misalignment due to torsion and wind loading has not yet been studied in an operational plant, which can experience more extreme and variable conditions. This study characterizes the angular misalignment due to torsion at three rows of the Nevada Solar One CSP plant and investigates the influence of wind loading. These findings reveal substantial torsion along the PTC support structure that depends on wind conditions and orientation. Strong winds perpendicular to the PTCs increase the median angular displacement of the outermost row by up to 18 mrad and increase the standard deviation by up to 8 mrad when compared to weak wind conditions. These findings can inform enhanced PTC design, controls and modeling that will improve the performance, reliability and bankability of future CSP plants.

14 SOLAR ENERGY↗

Damage buildup in multilayer hexagonal boron nitride films under Ar ion bombardment

Ion irradiation can be used to modify properties of two-dimensional hexagonal boron nitride (2D-hBN). However, the behavior of multilayer 2D-hBN under ion bombardment remains essentially unexplored. Here, in this study, we systematically study the damage buildup in 40-nm-thick multilayer 2D-hBN films irradiated at room temperature with 500 keV Ar ions with doses up to 0.64 displacements per atom. Transmission electron microscopy, soft X-ray absorption spectroscopy, and Raman spectroscopy are employed to study effects of ion irradiation. Results reveal a monotonic buildup of damage that can be described by the phenomenological zero cascade overlap model. Compared to the behavior of other group-III nitride semiconductors, radiation damage in hBN is influenced by polymorphism, involving transitions between bonding configurations of hexagonal, cubic, and amorphous phases.

Seo, M. [Lawrence Livermore National Laboratory (L↗

Processing-dependent chemical ordering in Cu 3 Au characterized via non-destructive Bragg coherent diffraction imaging

Of current importance for alloy design is controlling chemical ordering through processing routes to optimize an alloy's mechanical properties for a desired application. However, characterization of chemical ordering remains an ongoing challenge, particularly when nondestructive characterization is needed. Here, in this study, Bragg coherent diffraction imaging is used to reconstruct morphology and lattice displacement in model Cu 3 Au nanocrystals that have undergone different heat treatments to produce variation in chemical ordering. The magnitudes and distributions of the scattering amplitudes (proportional to electron density) and lattice strains within these crystals are then analyzed to correlate them to the expected amount of chemical ordering present. Nanocrystals with increased amounts of ordering are found to generally have less extreme strains present and reduced strain distribution widths. In addition, statistical correlations are found between the spatial arrangement of scattering amplitude and lattice strains.

Warren, Nathaniel [Pennsylvania State Univ., Unive↗

Regeneration of anion-exchange resins for cyclic selenium removal from industrial wastewaters

Application of ion exchange for the removal of selenium (Se) oxyanions from industrial wastewaters is often limited by ineffective regeneration of the ion-exchange resins, particularly in complex systems containing competing ions, such as coal-ash leachate containing high-sulfate concentrations and heavy metal ions. Here, in this study, it was first demonstrated that while conventional regeneration with sodium chloride (NaCl) is effective for simulated wastewater, with ∼80% efficiency, NaCl fails to regenerate resin loaded with real industrial wastewater, achieving less than 20% efficiency. To overcome this challenge, a two-step regeneration process was investigated using a sodium carbonate (Na 2 CO 3 ) solution for elution, followed by a NaCl solution for restoration. Compared to the one-step NaCl regeneration, this integrated process restored more than 80% of the resin's capacity with real industrial wastewaters. Beyond demonstrating regeneration performance, this research emphasizes fundamental mechanistic interpretations of the observed regeneration behavior across different water matrices and experimental conditions. Particularly, accounting for pH-dependent carbonate speciation, it is proposed that the elution step exploits the resin's strong affinity for divalent carbonate ions to displace strongly bound contaminants, while the subsequent restoration step relies mainly on the mass action effects of chloride ions to regenerate the resin sites. The protocol was optimized to achieve rapid regeneration (<10 min) using moderate chemical concentrations (0.5 M) in treating real leachate. In batch cyclic experiments, Se regeneration reached nearly complete recovery after five consecutive sorption and desorption cycles, while in the fixed-bed system, the regeneration efficiency remained at approximately 80% after five cycles.

Anion-exchange resin↗

Shrub and sedge rhizosphere communities display distinct affinities toward exudates and soil organic matter degradation: a quantitative stable isotope probing analysis

Warming temperatures are accelerating permafrost thaw and changing tundra vegetation, where woody shrubs are displacing sedges. Shrubs, such as Betula nana, and sedges, such as Eriophorum vaginatum, exhibit distinct life strategies including unique root-associated, or rhizosphere microbial communities. As permafrost thaws it unlocks previously unavailable carbon and nutrient sources resulting in deeper roots and a translocation of rhizosphere communities. Because permafrost microbial communities contain lower diversity and biomass than rhizosphere communities, the coalescence of rhizosphere and permafrost microbial communities could alter soil organic matter (SOM) degradation rates and increase greenhouse gas emissions. To identify metabolic strategies across distinct rhizosphere and permafrost microbial communities we conducted an isotope tracing incubation experiment. We inoculated thawed permafrost with shrub and sedge rhizosphere communities while adding exudates or water daily and compared this to an uninoculated control. After 46 days, we spiked samples with 18O enriched water or 13C enriched exudates and measured isotope incorporation into microbial DNA with quantitative stable isotope probing (qSIP). Our results indicate that exudate additions had little effect on uninoculated permafrost communities but the addition of exudates and rhizosphere inoculants had a compounding effect on respiration rates. We found that soils inoculated with shrub rhizosphere communities contained a mixture of exudate and SOM degraders while soils inoculated with sedge rhizosphere communities contained mainly SOM degraders. Finally, we found that individual microbial taxa exhibited maximum growth rates under specific combinations of microbial inoculant communities and exudate addition treatments. Our results reveal that microbial niches are strongly influenced by substrate preferences and community context, and suggest that a reduction in sedges and an expansion of shrubs may provide a mechanism by which permafrost carbon losses are mitigated through corresponding shifts in microbial communities and their substrate preferences.

Schaefer, Sean R [Natural Resources and Earth Syst↗

Rapid characterization and failure analysis of 6276 rooftop-harvested photovoltaic connectors

Photovoltaic (PV) connectors, which link modules in series and connect PV strings in parallel, have increasingly been recognized as a primary contributor to PV system failures and a source of numerous fire incidents. However, publicly available data on the rates and types of connector failures are scarce, primarily due to the proprietary nature of the information and the need for comprehensive analysis. This study represents the first large-scale investigation of harvested PV connectors, drawing from a dataset of 6276 connectors from residential rooftop solar systems across the United States. The outcome of this work is twofold: 1) we have established a rapid characterization method for large populations of harvested connectors, incorporating visual inspection, resistance measurements, and X-ray imaging; and 2) the analysis made possible by our rapid-processing method has revealed, for a population of connector models provided by a single rooftop installer, failure statistics and insights for various connector makes and models, installation practices, operating currents, and internal component displacements. This research identifies common failure modes that could be considered in future connector designs standards, and operations and maintenance practices, to ultimately improve the reliability of this vital component of PV infrastructure.

MC4↗

Wind Conditions for Solar Energy Facility Design Based on Field Measurements at Nevada Solar One

This study characterises near-surface wind conditions at the Nevada Solar One (NSO) concentrated solar power plant using two years of measurements from a 15-m mast located 30 m west of the solar arrays. The surrounding terrain is fairly flat within 3 km, but nearby solar photovoltaic (PV) and concentrated solar power (CSP) installations introduce strong directional wind inhomogeneity, which motivates a sector-based analysis that distinguishes undisturbed inflow from waked flow. The analysis uses data from three sonic anemometers to assess whether turbulence in the surface layer can be represented as Gaussian and whether standard surface-layer scaling remains valid below 10 m height. The roughness length and displacement height are estimated for twelve directional sectors under near-neutral wind conditions, and all three velocity components show departures from Gaussian behaviour. Spectral analysis indicates that the turbulence contains low-frequency fluctuations with amplitudes higher than those predicted by standard models such as the Kaimal model or the Simiu and Scanlan model. The study introduces a new turbulence spectral model based on the eddy-surface-layer framework to better represent near-surface wind turbulence. The analysis further quantifies the influence of the surrounding power plants on mean wind profiles, one-point spectra, and vertical coherence for all velocity components. The solar collector arrays located 30 m east of the mast significantly modify the turbulence structure, whereas PV installations situated a few hundred metres away have only a limited influence on the turbulence measured at the mast. These findings highlight the limitations of conventional turbulence models for near-surface wind over solar infrastructure and provide improved parameterisations to support the structural design. The implications for the structural response of parabolic troughs and PV modules to such turbulence remain uncertain and require further investigation.

14 SOLAR ENERGY↗

Toward a sustainable circular economy of multilayer plastic films: Life cycle and techno-economic assessment with a focus on end-of-life treatment and multiple recovery cycles

This study presents a life cycle assessment (LCA) and techno-economic analysis (TEA) of end-of-life technologies for treating polyethylene–polyamide barrier film waste, focusing on quality degradation across recovery cycles. Novel treatment methods are experimentally validated, while others are drawn from literature and industry consultations. A displacement approach, assuming no quality loss, is first applied. Results show that solvent-based recycling via the solvent-targeted recovery and precipitation (STRAP) process outperforms alternatives across environmental indicators, reducing global warming potential (GWP) by 40% compared to landfilling. Incineration performs worst in most categories, particularly eutrophication (80% higher than landfilling), due to nitrogen emissions. Experimentally validated downcycling (pelletizing) proves more economically viable. The assumption of infinite recoverability is overly optimistic. To address this, we propose a mathematical framework accounting for a finite number of recovery cycles. This refined model shows reduced GWP and cost savings for solvent recovery, making its benefits less pronounced than initially estimated. Sensitivity and uncertainty analyses reveal strong dependence on recovered material quality and solvent recovery efficiency, underscoring the need for optimized process design. Finally, hotspot analysis identifies greenhouse gas emissions from the polyamide supply chain as the dominant GWP contributor. In conclusion, the results underscore potential trade-offs across pathways and show that solvent-based recovery’s sustainability depends heavily on process conditions.

36 MATERIALS SCIENCE↗

DNA viruses from different stages of a wastewater treatment plant in southwest Ohio

Wastewater treatment plants (WWTPs) house diverse populations of microbial communities that are dynamic across treatment stages. Although viruses, especially non-pathogenic ones are relatively less studied compared to their bacterial counterparts, they are equally important players in WWTP microbiomes. In this study, we sampled influent, activated sludge, and effluent stages of a WWTP in southwest Ohio to sequence their viral population using multiple displacement amplification (MDA) and metagenomic approaches. We recovered 1003 viral genomes, the majority of which were ssDNA (single-stranded DNA) viruses that formed distinct clusters representing novel species and phylogenetic groups not closely related to known human gut or terrestrial viruses. Additionally, tracking viruses across treatment stages showed several persisted across multiple treatment stages. These results suggest that further studies are needed to understand the persistence of viral populations, particularly non-pathogenic ones, across different stages of WWTPs.

59 BASIC BIOLOGICAL SCIENCES↗

Liquid-like solid-state diffusion of lithium ions in super-halide-rich argyrodite

The development of solid electrolytes with high ionic conductivity is essential for advancing safer, high-energy-density solid-state batteries, where lithium site distribution in the sublattice strongly affects ion transport. Here, we report a super-halide-rich argyrodite, Li 5.3 PS 4.3 Cl 1.7 , with remarkable room-temperature ionic conductivity (11.4 ± 0.7 mS cm -1 ) due to population of two additional interstitial lithium sites induced by vacancy redistribution. Prominent lithium density between lithium sites and elevated atomic displacement parameters indicate liquid-like diffusive behavior resembling sublattice melting. Combining electrochemical impedance spectroscopy, pulsed-field gradient NMR, and T 1 relaxation methods, we demonstrate that the augmented conductivity partly arises from a low energy barrier (0.08 eV) at the local scale, attributed to a three-site lithium distribution that drives correlated lithium dynamics. This work advances our understanding of the structure-dynamics interplay in super-halide-rich argyrodites, and highlighting their potential as solid-state battery electrolytes in cells with a coated single-crystal NMC82 cathode that achieve 170 mAh/g capacity at a 0.2 C rate .

25 ENERGY STORAGE↗

Economic Incentives for Agrivoltaics Systems with Commodity Crops in the Midwestern United States

Declining costs of photovoltaic (PV) technology and rising market and policy incentives are leading to the growing deployment of PV on cropland in the US Midwest, leading to concerns about the displacement of food and feed crop production. Agrivoltaic (AV) technology enables the dual use of land by co-locating PV energy and crop production, potentially reducing land-use competition with crop production. We develop a benefit-cost analysis framework to compare the net economic returns from AV to those with stand-alone PV and crop production on a representative field and show conditions under which AV can be more profitable for both a solar developer and a farmer. We integrate it with a crop and solar energy model to simulate the performance of various field designs and space and height configurations in AV systems to accommodate soybean production with conventional farm equipment under representative conditions in the US Midwest. We find that an AV system with soybean production is less profitable than PV alone for a solar developer due to the high capital costs of raising panel height, and less profitable for a farmer than leasing land for PV due to its adverse effects of shading on crop yield. We discuss the changes in technology and market prices of solar energy and soybeans that are necessary to make the AV system profitable for solar developers and farmers. We show that AV can worsen rather than mitigate the conflict between food crops and solar energy production in the Midwest.

14 SOLAR ENERGY↗

Effect of layer bending on montmorillonite hydration and structure from molecular simulation

Conceptual models of smectite hydration include planar (flat) clay layers that undergo stepwise expansion as successive monolayers of water molecules fill the interlayer regions. However, X-ray diffraction (XRD) studies indicate the presence of interstratified hydration states, suggesting non-uniform interlayer hydration in smectites. Additionally, recent theoretical studies have shown that clay layers can adopt bent configurations over nanometer-scale lateral dimensions with minimal effect on mechanical properties. Therefore, in this study we used molecular simulations to evaluate structural properties and water adsorption isotherms for montmorillonite models composed of bent clay layers in mixed hydration states. Results are compared with models consisting of planar clay layers with interstratified hydration states (e.g. 1W–2W). The small degree of bending in these models (up to 1.5 Å of vertical displacement over a 1.3 nm lateral dimension) had little or no effect on bond lengths and angle distributions within the clay layers. Except for models that included dry states, porosities and simulated water adsorption isotherms were nearly identical for bent or flat clay layers with the same averaged layer spacing. Similar agreement was seen with Na- and Ca-exchanged clays. In conclusion, while the small bent models did not retain their configurations during unconstrained molecular dynamics simulation with flexible clay layers, we show that bent structures are stable at much larger length scales by simulating a 41.6×7.1 nm 2 system that included dehydrated and hydrated regions in the same interlayer.

58 GEOSCIENCES↗