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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Chemomechanical origin of morphological disparity in lithium metal electrodeposition

The morphology of electrochemically deposited lithium (Li) critically governs the cycling stability and safety of Li metal batteries, yet the underlying controlling factors remain poorly understood. Even within the same coin cell, Li deposits can exhibit strikingly different morphologies, for example, sparse whiskers coexisting with particle-like deposits, indicting strong local variations in growth conditions. By combining cryogenic transmission electron microscopy with phase-field modeling, we here identify the root cause of this disparity. We reveal that the morphological divergence originates from the variations in structure and chemical composition of the initial SEI layer formed on the copper (Cu) substrate. These variations arise from substrate defects that induce localized electrochemical fields, driving selective dissociation of either solvent or salt, producing SEI layers with distinct chemomechanical properties. Solvent-derived organic SEI favors whisker growth, whereas salt-derived SEI promotes particle formation. This study establishes a direct mechanistic link between SEI chemomechanical properties and Li morphology, providing design principles for tailoring SEI layers to control Li deposition

energy storage↗
DOE OSTI2025

Magnesium‐Mediated Electrochemical Synthesis of Ammonia

Metal-mediated electrochemical synthesis of ammonia (NH3) is a promising method to activate N2 at room temperature. While a Li-mediated approach has been optimized to produce NH3 at high current density and selectivity, Li's scarcity and its highly negative plating potential limit scalability and energy efficiency. Alternative mediators have been proposed, but only Ca has shown some promise, achieving ≈50% Faradaic efficiency (FE), though requiring voltages beyond -3 V. Here, we report a Mg-mediated nitrogen reduction reaction (Mg-NRR), where N2 is activated on Mg to form Mg3N2, followed by protolysis to release NH3 and regenerate Mg. A notable NH3 FE of 25.28 ± 3.80% is achieved at a current density of -45 mA cm-2, corresponding to an NH3 partial current density of -11.30 ± 1.77 mA cm-2 under 6 bar N2. Isotope-labeled experiments confirm that NH3 originates from N2, with similar FE (25.15 ± 1.01%). Importantly, NH3 production is demonstrated at a total cell potential as low as -3 V. This Li-free Mg-NRR system offers key advantages, including lower energy input and use of earth-abundant materials, making it a scalable route for sustainable NH3 synthesis.

Goyal, Ishita↗
DOE OSTI2020

The impact of tillage row orientation on physical and chemical sediment enrichment

Abstract This study aimed to better understand how tillage row orientation with respect to dominant flow‐pathway along hillslope impacts runoff and the transport of different sediment size fractions. Experimental plots were constructed in contour ridge till (CRT) and parallel ridge till (PRT) sites to monitor runoff and sediment fluxes. Particle size fractions of the sediment, along with organic C and N contents were measured to quantify physical and chemical enrichment ratios for the two tillage orientations. In the CRT plot, tillage produced large oriented roughness elements along the contours, which acted as little check dams, while in the PRT site, the roughness elements helped confine and concentrate the runoff. In the CRT, the “check dams” resulted in a runoff coefficient of .03, while in the PRT, the flow confinement between rows produced a runoff coefficient of .82. Moreover, the erosion rates at the CRT site were 97% less than those in the PRT plot. Large contours produced finer sediment fractions due to the selective sorting in ponded furrows. More aggregate sediment fractions were present in the PRT site, which was dominated by rill erosion. Physical enrichment revealed selective entrainment of finer sediment particles during erosion. Finer‐grain particles with higher specific surface areas, attached more organic C resulting in chemical enrichment. Physical and chemical enrichment methods were found to be in good agreement. These findings suggest transport models that can simulate size fraction updates to the soil active layer can be used to estimate SOC redistribution and hence more accurate C budgets.

Wacha, Kenneth M.↗
DOE OSTI2021

Mediated Inner‐Sphere Electron Transfer Induces Homogeneous Reduction of CO 2 via Through‐Space Electronic Conjugation**

Abstract The electrocatalytic reduction of CO 2 is an appealing method for converting renewable energy sources into value‐added chemical feedstocks. We report a co‐electrocatalytic system for the reduction of CO 2 to CO comprised of a molecular Cr complex and dibenzothiophene‐5,5‐dioxide (DBTD) as a redox mediator, which achieves high activity (TOF=1.51–2.84×10 5 s −1 ) and quantitative selectivity. Under aprotic or protic conditions, DBTD produces a co‐electrocatalytic response with 1 by coordinating trans to the site of CO 2 binding and mediating electron transfer from the electrode with quantitative efficiency for CO. This assembly is reliant on through‐space electronic conjugation between the π frameworks of DBTD and the bpy fragment of the catalyst ligand, with contributions from dispersive interactions and weak sulfone coordination.

Hooe, Shelby L.↗
DOE OSTI2021

Mediated Inner–Sphere Electron Transfer Induces Homogeneous Reduction of CO 2 via Through–Space Electronic Conjugation

The electrocatalytic reduction of CO 2 is an appealing method for converting renewable energy sources into value-added chemical feedstocks. We report a co-electrocatalytic system for the reduction of CO 2 to CO comprised of a molecular Cr complex and dibenzothiophene-5,5-dioxide (DBTD) as a redox mediator, which achieves high activity (TOF=1.51–2.84×10 5 s –1 ) and quantitative selectivity. Under aprotic or protic conditions, DBTD produces a co-electrocatalytic response with 1 by coordinating trans to the site of CO 2 binding and mediating electron transfer from the electrode with quantitative efficiency for CO. Furthermore, this assembly is reliant on through-space electronic conjugation between the π frameworks of DBTD and the bpy fragment of the catalyst ligand, with contributions from dispersive interactions and weak sulfone coordination.

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

Surrogate-assisted optimization under uncertainty for design for remanufacturing considering material price volatility

Remanufacturing is a well-established end-of-life (EOL) strategy that promises significant savings in energy and carbon emissions. However, the current design practices are not remanufacturing-inclusive, i.e., the majority of products are designed for a single life cycle. As a result, potential products that can sustain multiple life cycles are deprived of additional benefits of being designed for remanufacturing, such as reduced material usage, lower cost, and improved environmental impact. Moreover, the uncertainty in design, material selection, and economics are not considered to produce remanufacturable designs. Accordingly, this research proposes a design for remanufacturing (DfRem) framework that accounts for design uncertainty and material price volatility. The framework systematically explores the design space, performs design optimization under uncertainty, followed by topology optimization to provide additional mass savings, and finally, a price volatility analysis for plausible design material choices. The candidate designs are evaluated based on their design mass, material price volatility, failure mode characteristics, carbon footprint, and embodied energy impacts. The proposed framework's utility is demonstrated via the use of an engine cylinder head case study subjected to thermo-mechanical loads along with fatigue and wear failure. Considering grey cast iron and aluminum alloy as the design material choices, it was found that the cast iron design reduced the initial design mass by 6% as opposed to a 5% decrease for aluminum. On the other hand, about 8% area of the cast iron design failed due to fatigue, compared to 3% for aluminum. Here, we further observed that although the aluminum design provided better mechanical performance than the cast iron design, this material was more expensive and volatile in price.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Cooperative roles of water and metal-support interfaces in the selective hydrogenation of cinnamaldehyde over cobalt boride catalysts

Chemoselectivity in the hydrogenation of carbonyl over alkene bonds is valuable for producing industrial chemicals. In this study, we investigate the role of water in the selective hydrogenation of cinnamaldehyde on cobalt and cobalt boride catalysts by combining rate measurements, in situ characterization, and computational calculations. Ex situ and in situ spectroscopic analyses indicate that the boron species do not significantly modify the intrinsic electronic properties of cobalt. However, during thermal treatments, they exsolve from the bulk phase and become enriched on the surface, forming acidic species that enhance the activity and selectivity of carbonyl bond hydrogenation by three and two times, respectively. A small amount of water is able to promote hydrogenation. When titania, ceria, and zirconia are used as supports, metal-support interactions result in smaller particles that show a drop in selectivity toward the desirable unsaturated alcohol. Overall, the combination of the presence of boron species and strong metal-support interactions protects the catalysts from water attack, resulting in enhanced stability.

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

Irradiation-enhanced Interactions at UO 2 /Al 2 O 3 /Al Interfaces

Combustion synthesis is used to prepare thin UO 2 films on aluminum alloy substrates. This simple preparation method involves electrospraying uranyl nitrate + acetylacetone + 2-methoxyethanol solution on the substrate, followed by a short annealing at 350 or 550 °C. The irradiation of films with a 40 Ar 2+ ion beam (energy of 1.7 MeV and fluences of 7.7 × 10 16 and 1.3 × 10 17 ions/cm 2 ) is conducted to investigate irradiation-induced restructuring processes. High-resolution transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) investigations show that the annealing temperature significantly influences the crystallinity and stability of materials during irradiation. A small amount of Mg in the alloy substrate diffuses into the amorphous Al 2 O 3 interfacial layer between the film and the substrate. Local thermal spikes from the incoming ions facilitate the irradiation-induced mixing of immiscible Al 2 O 3 and UO 2 for the materials prepared at 350 °C. This mass diffusion produces relatively large cavities at the interface. Selective diffusion of a more significant amount of Mg for the materials prepared at 550 °C suppresses the mixing of the Al 2 O 3 interlayer with the film but forms Mg y U 1–y O 2±x solid solutions during irradiation. Local thermal heating triggers the precipitation of a discontinuous crystalline MgO layer close to the film surface. As a result, the enhanced and selective diffusion of Mg into the film makes the materials prepared at 550 °C more robust and mechanically stable than those prepared at 350 °C.

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

Interacting Effects of Watershed and Coastal Processes on the Evolution of Compound Flooding During Hurricane Irene

Abstract In low‐lying estuarine regions, compound flooding (CF) is caused by the co‐occurrence of extreme precipitation, river flooding and storm surge. In recent decades, there has been a rise in the frequency and intensity of pluvial‐coastal CF events in different parts of the U.S. due to the increased frequency of intense precipitation and storm surge events. However, in estuarine and deltaic regions, the CF characteristics depend mainly on the storm tide and river flow interaction. Understanding how the fluvial‐coastal CF may respond to changes to watershed and estuarine characteristics is essential for future CF hazard prediction. This study examined two critical processes: (a) the interplay between antecedent soil moisture conditions and peak river flow, and (b) how the impact of sea level rise (SLR) on storm surge and river flood distribution alters the CF in complex estuaries. As the study area, we selected the Delaware Bay and River, a shallow and convergent estuary in the US Mid‐Atlantic region—where flood hazards during a CF can become more significant than the surge and river flood processes occurring in isolation. For the focal event for the study, we selected Hurricane Irene (2011) because it reportedly produced the most extreme CF over the past two decades in the same region. Ultimately, our results illustrated that the potential changes to the catchment and bay characteristics from the global temperature increase and SLR could significantly modulate the fluvial‐coastal CF variability. The potential increase in global temperature and rainfall intensity might not always exacerbate the CF.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Quantum statistical plasmonic metacrystals

Engineering materials that control quantum many-body dynamics remains challenging, as multiparticle interactions typically produce complex emergent behaviour that is difficult to predict. Here we introduce quantum statistical plasmonic metacrystals, structures in which the multiparticle dynamics mediated by optical near fields produce forbidden quantum statistical bands that enable selective transmission of different types of light. This functionality arises from a plasmonic structure composed of nanoantennas acting as meta-atoms. Multiphoton fields with statistics within the allowed bands propagate without distortion, whereas fields in forbidden bands are suppressed or driven towards the nearest accessible statistical state. We show that these bands are determined by the geometry and collective arrangement of the meta-atoms, providing a deterministic route to engineering quantum statistical transport. This platform establishes a room-temperature quantum material intrinsically sensitive to the quantum coherence of many-body photonic systems, enabling their robust manipulation and transport. Our results have implications for coherence-sensitive photonic materials for energy harvesting and scalable many-body quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Scalable, biologically sourced depolymerizable polydienes with intrinsically weakened carbon–carbon bonds

Currently, there are few examples of circularly recyclable polymers with all-carbon backbones, probably owing to the challenge of using selective C–C bond cleavage to efficiently produce monomers in recycling processes. Furthermore, here we demonstrate a series of biologically sourced polymuconate polymers synthesized via simple free-radical polymerization that exhibit intrinsically weakened C–C bonds and controlled chemical recycling to monomers. Modifying the side chains and copolymerization ratios allows a wide range of mechanical property tuning, achieving performances comparable to those of commercial plastics such as polystyrene, polymethyl methacrylate and polybutadiene. Techno-economic analysis and life cycle assessment for production at a scale of 100 kilotons per year show that the materials are currently slightly more expensive and environmentally intensive compared with conventional rubbers. However, use of recycled materials via depolymerization can greatly decrease the cost and environmental impacts of polymuconate production (for example, down to US$1.59 per kilogram) to outperform its commercial counterparts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization of Agfa Structurix series D4 and D3sc x-ray films in the 0.7–4.6 keV energy range

X-ray films remain a key asset for high-resolution x-ray spectral imaging in high-energy-density experiments conducted at the National Ignition Facility (NIF). The soft x-ray Opacity Spectrometer (OpSpec) fielded at the NIF has an elliptically shaped crystal design that measures x rays in the 900–2100 eV range and currently uses an image plate as the detecting medium. However, Agfa D4 and D3sc x-ray films’ higher spatial resolution provides increased spectral resolution to the data over the IP-TR image plates, driving the desire for regular use of x-ray film as a detecting medium. The calibration of Agfa D4 x-ray film for use in the OpSpec is communicated here. These calibration efforts are vital to the accuracy of the NIF opacity measurements and are conducted in a previously un-studied x-ray energy range under a new film development protocol required by NIF. The absolute response of Agfa D4 x-ray film from 705 to 4620 eV has been measured using the Nevada National Security Site Manson x-ray source. A broader range of energies was selected to compare results with previously published data. The measurements were taken using selected anodes, filters, and applied voltages to produce well-defined energy lines.

Dutra, E. C. (ORCID:0000000167649195)↗
DOE OSTI2022

Photoinduced charge transfer in the Zn-methanol cation studied with selected-ion photofragment imaging

The Zn + (methanol) ion molecule complex produced by laser vaporization is studied with photofragment imaging at 280 and 266 nm. Photodissociation produces the methanol cation CH 3 OH + via excitation of a charge-transfer excited state. Surprisingly, excitation of bound excited states produces the same fragment via a curve crossing prior to separation of products. Significant kinetic energy release is detected at both wavelengths with isotropic angular distributions. Similar experiments are conducted on the perdeuterated methanol complex. The Zn + cation is a minor product channel that also exhibits significant kinetic energy release. Finally, an energetic cycle using the ionization energies of zinc and methanol together with the kinetic energy release produces an upper limit on the Zn + -methanol bond energy of 33.7 ± 4.2 kcal/mol (1.46 ± 0.18 eV).

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

Particle production as a function of charged-particle flattenicity in 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 13 TeV

This paper reports the first measurement of the transverse momentum (𝑝 T ) spectra of primary charged pions, kaons, (anti)protons, and unidentified particles as a function of the charged-particle flattenicity in pp collisions at $\sqrt{s}$ =13 TeV. Flattenicity is a novel event shape observable that is measured in the pseudorapidity intervals covered by the V0 detector, 2.8 < 𝜂 < 5.1 and −3.7 < 𝜂 < −1.7. According to QCD-inspired phenomenological models, it shows sensitivity to multiparton interactions and is less affected by biases toward larger 𝑝 T due to local multiplicity fluctuations in the V0 acceptance than multiplicity. The analysis is performed in minimum-bias (MB) as well as in high-multiplicity events up to 𝑝 T = 20 GeV/⁢𝑐. The event selection requires at least one charged particle produced in the pseudorapidity interval |𝜂| < 1. The measured 𝑝 T distributions, average 𝑝 T , kaon-to-pion and proton-to-pion particle ratios, presented in this paper, are compared to model calculations using pythia 8 based on color strings and EPOS LHC. The modification of the 𝑝 T -spectral shapes in low-flattenicity events that have large event activity with respect to those measured in MB events develops a pronounced peak at intermediate 𝑝 T (2 < 𝑝 T < 8 GeV/𝑐), and approaches the vicinity of unity at higher 𝑝 T . The results are qualitatively described by pythia, and they show different behavior than those measured as a function of charged-particle multiplicity based on the V0M estimator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Luminosity determination using Z boson production at the CMS experiment

The measurement of Z boson production is presented as a method to determine the integrated luminosity of CMS data sets. The analysis uses proton–proton collision data, recorded by the CMS experiment at the CERN LHC in 2017 at a center-of-mass energy of 13 TeV. Events with Z bosons decaying into a pair of muons are selected. The total number of Z bosons produced in a fiducial volume is determined, together with the identification efficiencies and correlations from the same data set, in small intervals of 20 pb –1 of integrated luminosity, thus facilitating the efficiency and rate measurement as a function of time and instantaneous luminosity. Using the ratio of the efficiency-corrected numbers of Z bosons, the precisely measured integrated luminosity of one data set is used to determine the luminosity of another. For the first time, a full quantitative uncertainty analysis of the use of Z bosons for the integrated luminosity measurement is performed. The uncertainty in the extrapolation between two data sets, recorded in 2017 at low and high instantaneous luminosity, is less than 0.5%. We show that the Z boson rate measurement constitutes a precise method, complementary to traditional methods, with the potential to improve the measurement of the integrated luminosity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

AIF for Vis (Active Inference for simulating human interpretation of data visualization) [SWR-26-084]

AIF for Vis contains the Active Inference models and analysis scripts used to study a simple visualization-interpretation task: estimating the average value of two bars in a bar chart. The work is a proof of concept for translating hypothesized cognitive strategies into executable, inspectable process models. We implement two idealized strategies inspired by dual-process accounts of visualization-aided decision making: *Fast model: a compressed, heuristic strategy that estimates the visual midpoint of the two bars and maintains a single belief over their average. *Slow model: a sequential, analytic strategy that estimates the two bar heights separately and maintains them in working memory before computing an average. Both models use a common Active-Inference-inspired framework for sequential perception, belief updating, action selection, and reporting. Their different internal representations produce distinct predicted vulnerabilities: *the Fast model is more susceptible to tick-salience bias; *the Slow model is more susceptible to working-memory decay. The repository includes the model implementations, scripts used for the experiments reported in the paper, precomputed trial-level results, and plotting scripts.

Goldwyn, Harrison [National Laboratory of the Rock↗
DOE OSTI2026

BSMV-mediated genome editing exhibits host-specific heritability: germline transmission in barley and somatic edits in Nicotiana benthamiana

Plant RNA virus–mediated guide RNA (gRNA) delivery represents a transformative advance in genome editing technologies. Unlike conventional transformation methods that rely on labor-intensive tissue culture and regeneration for each individual gRNA delivery, viral vectors can rapidly and systemically transmit gRNAs into pre-established Cas-expressing plants, providing an accelerated route for functional genomics and trait discovery directly in planta . However, key design parameters, including subgenomic promoter choice, transcript architecture, and their effects on viral fitness and editing outcomes, remain to be elucidated for most viral platforms. We developed five Barley stripe mosaic virus (BSMV) vectors, each with distinct subgenomic promoter elements to drive single gRNA expression. These were initially evaluated in Cas9-expressing transgenic Nicotiana benthamiana plants targeting the Phytoene desaturase ( PDS ) gene to compare their editing efficiencies. Single gRNAs expressed under the duplicated γb subgenomic promoter or when fused directly to the γb genome achieved the highest mutation frequencies (up to 90% at 60 days post-inoculation), whereas β1- and β2-driven sgRNAs produced delayed and reduced editing. Thus, promoter selection critically determines gRNA accumulation and the efficacy of BSMV-mediated genome editing. The top-performing design was then applied to Cas9-expressing barley ( Hordeum vulgare ) targeting HvCMF7 (conferring green-white variegation) and HvGW2.1 (impacts grain width and weight). BSMV spread systemically throughout barley, inducing somatic and heritable mutations at frequencies up to 100%, with virus-free edited progeny. In contrast, despite robust somatic editing in N. benthamiana, no heritable mutations were detected indicating species-dependent limitations in germline transmission. Our systematic comparison of subgenomic promoter architectures establishes clear design principles for optimizing viral vector–mediated delivery. Promoter choice and transcript structure critically shape editing efficiency and viral stability. The host-specific boundary for germline editing, defined by efficient heritable editing in barley but not N. benthamiana , highlights where BSMV offers advantages and where alternative vectors or hybrid strategies are required, guiding rational platform selection for diverse crop species and applications. Collectively, these findings establish BSMV as a promising next-generation vector for rapid, tissue culture–free, and transformation-independent genome editing in cereals and other recalcitrant monocots.

barley↗
DOE OSTI2023

Tamper performance for confined laser drive applications

The shock imparted by a laser beam striking a metal surface can be increased by the presence of an optically transparent tamper plate bonded to the surface. We explore the shock produced in an aluminum slab, for a selection of tamper materials and drive conditions. The experiments are conducted with a single-pulse laser of maximum fluence up to 100 J/cm 2 . The pressure and impulse are measured by photon doppler velocimetry, while plasma imaging is used to provide evidence of nonlinear tamper absorption. We demonstrate a pressure enhancement of 50x using simple commercially available optics. We compare results from hard dielectric glasses such as fused silica to soft plastics such as teflon tape. We discuss the mechanism of pressure saturation observed at high pulse fluence, along with some implications regarding applications. Below saturation, overall dependencies on pulse intensity and material parameters such as mechanical impedances are shown to correlate with a model by Fabbro et al .

36 MATERIALS SCIENCE↗