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At least 181 records · Page 10

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DOE OSTI2026

Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.

2D materials↗

NASA NTRSDate not supplied

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

The Standalone Hazard Evaluation From Instrument Findings or SHERIF is a set of novel algorithms and associated framework designed to support the generation of Digital Elevation Maps (DEMs) from multiple LiDAR scans and perform Hazard Detection (HD) and Safe Site Selection with minimal input from other onboard systems. SHERIF can employ several techniques to perform Point Cloud registration(PCR) on disparate LiDAR scans of a planetary surface to generate a DEM which evolves over the course of a trajectory, with a flow designed to enable robustness. The framework also supports a variety of Hazard Detection and Safe Site Selection algorithms which can be run on the evolving DEM being produced. SHERIF features a robust and modular construction, allowing the user a high degree of flexibility in selecting and implementing whichever PCR and HD/SSL algorithms they may prefer, while maintaining the data products and sensor independence of the core SHERIF framework. SHERIF was recently tested in a hardware in the loop simulation at NASA JSC.

Entry Descent and Landing Guidance Navigation Cont↗

NASA NTRS1993

Lunar lander configuration study and parametric performance analysis

Future Lunar exploration plans will call for delivery of significant mounts or cargo to provide for crew habitation, surface tansportation, and scientific exploration activities. Minimization of costly surface based infrastructure is in large part directly related to the design of the cargo delivery/landing craft. This study focused on evaluating Lunar lander concepts from a logistics oriented perspective, and outlines the approach used in the development of a preferred configuration, sets forth the benefits derived from its utilization and describes the missions and system considered. Results indicate that only direct-to-surface downloading of payloads provides for unassisted cargo removal operations imperative to efficient and low risk site buildup, including the emplacement of Space Station derivative surface habitat modules, immediate cargo jettison for both descent abort and emergency surface ascent essential to piloted missions carrying cargo, and short habitat egress/ingress paths necessary to productive surface work tours for crew members carrying hand held experiments, tools and other bulky articles. Accommodating cargo in a position underneath the vehicles structural frame, landing craft described herein eliminate altogether the necessity for dedicated surface based off-loading vehicles, the operations and maintenance associated with their operation, and the precipitous ladder climbs to and from the surface that are inherent to traditional designs. Parametric evaluations illustrate performance and mass variation with respect to mission requirements.

Donahue, Benjamin B.↗

DOE OSTI2024

The Gas Phase Protonation Sites of Six Naturally Occurring Nicotinoids

We have determined the gas phase protonation sites of six naturally occurring nicotinoids, namely nicotine (NIC), nornicotine (NOR), anabasine (ANB), anatabine (ANT), cotinine (COT) and myosmine (MYO) from experimental cryogenic ion trap infrared spectroscopy and first principles electronic structure calculations. The structural motif of these compounds consists of a common Pyridine and a differing non-Pyridine rings. The protonation site on either of these two rings correlates with the nicotinoid’s biological activity (addiction). At room temperature NIC is a mixture of Pyridine and Pyrrolidine (non-Pyridene) protomers, NOR, ANB, ANT and COT are pure Pyridine protomers and finally MYO is mostly a Pyroline (non-Pyridine) protomer. Their biological activity (addiction) correlates with the protonation preference in the nonPyridine protomer, with the exception of MYO, which, although is protonated in the Pyroline (non-Pyridine) protomer, it is not addictive because of a conjugated p system that induces a flat structure that is not optimally interacting with the environment in the in the binding pocket of the human brain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Two-stage earth-to-orbit vehicles with series and parallel burn

Recent studies have indicated that a fully reusable earth-to-orbit vehicle system will be needed near the beginning of the next century. One likely concept is a two-stage, vertical takeoff system with liquid rocket propulsion. Such vehicles have been examined with series burn and parallel burn of the engines of each stage. The results indicate that the preferred concept will have parallel burn with crossfeed, the booster will have hydrocarbon engines, the Orbiter will have both hydrocarbon and hydrogen engines, and the staging velocity will be low enough to allow the booster to glide back to the launch site.

Martin, J. A.↗

NASA NTRSDate not supplied

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

The Standalone Hazard Evaluation From Instrument Findings (SHERIF) system is a set of novel algorithms and associated framework designed to support the generation of Digital Elevation Maps (DEMs) from multiple LiDAR scans and perform Hazard Detection (HD) and Safe Site Identification (SSI) with no dependencies on other onboard systems. SHERIF can employ several techniques to perform robust 3D keypoint extraction and Point Cloud registration (PCR) on disparate LiDAR scans of a planetary surface to generate a DEM which evolves over the course of a trajectory. The framework also supports a variety of Hazard Detection and Safe Site Identification algorithms which can be applied to the evolving DEM being produced. SHERIF features a robust and modular construction, allowing the user a high degree of flexibility in selecting and implementing whichever keypoint identificaiton, PCR and HD/SSI algorithms they may prefer, while maintaining the data products and sensor independence of the core SHERIF framework. SHERIF was recently evaluated via simulation and hardware-in-the-loop experimental testing at NASA Johnson Space Center.

hazard detection↗

NASA NTRSDate not supplied

Standalone Hazard Evaluation and Refinement From Instrument Findings (S.H.E.R.I.F.)

hazard detection↗

DOE OSTI2024

Tailoring-Orientated Deposition of Li 2 S for Extreme Fast-Charging Lithium–Sulfur Batteries

Precipitation/dissolution of insulating Li 2 S has long been recognized as the rate-determining step in lithium-sulfur (Li-S) batteries, which dramatically undermines sulfur utilization at elevated charging rates. Herein, we present an orientated Li 2 S deposition strategy to achieve extreme fast charging (XFC, ≤15 min) through synergistic control of porosity, electronic conductivity, and anchoring sites of electrode substrate. Via magnesiothermic reduction of a zeolitic imidazolate framework, a nitrogen-doped and hierarchical porous carbon with highly graphitic phase was developed. This design effectively reduces interfacial resistance and ensures efficient sequestration of polysulfides during deposition, leading to (110)-preferred growth of Li 2 S nanocrystalline between (002)-dominated graphitic layers. Our approach directs an alternative Li 2 S deposition pathway to the commonly reported lateral growth and 3D thickening growth mode, ameliorating the electrode passivation. Therefore, a Li-S cell capable of charging/discharging at 5C (12 min) while maintaining excellent cycling stability (82% capacity retention) for 1000 cycles is demonstrated. In conclusion, even under high S loading (8.3 mg cm -2 ) and low electrolyte/sulfur ratio (3.8 mL mg -1 ), the sulfur cathode still delivers a high areal capacity of >7 mAh cm -2 for 80 cycles.

25 ENERGY STORAGE↗

DOE OSTI2024

Watching the Grand Ethiopian Renaissance Dam from a distance: Implications for sustainable water management of the Nile water

Increased demands for sustainable water and energy resources in densely populated basins have led to the construction of dams, which impound waters in artificial reservoirs. In many cases, scarce field data led to the development of models that underestimated the seepage losses from reservoirs and ignored the role of extensive fault networks as preferred pathways for groundwater flow. We adopt an integrated approach (remote sensing, hydrologic modeling, and field observations) to assess the magnitude and nature of seepage from such systems using the Grand Ethiopian Renaissance Dam (GERD), Africa's largest hydropower project, as a test site. The dam was constructed on the Blue Nile within steep, highly fractured, and weathered terrain in the western Ethiopian Highlands. The GERD Gravity Recovery and Climate Experiment Terrestrial Water Storage (GRACETWS), seasonal peak difference product, reveals significant mass accumulation (43 ± 5 BCM) in the reservoir and seepage in its surroundings with progressive south-southwest mass migration along mapped structures between 2019 and 2022. Seepage, but not a decrease in inflow or increase in outflow, could explain, at least in part, the observed drop in the reservoir's water level and volume following each of the three fillings. Using mass balance calculations and GRACETWS observations, we estimate significant seepage (19.8 ± 6 BCM) comparable to the reservoir's impounded waters (19.9 ± 1.2 BCM). Investigating and addressing the seepage from the GERD will ensure sustainable development and promote regional cooperation; overlooking the seepage would compromise hydrological modeling efforts on the Nile Basin and misinform ongoing negotiations on the Nile water management.

GRACE and GRACE-FO↗

NASA NTRS1972

Provenance of Apollo 12 KREEP.

Possible origins of KREEP in Apollo 12 lunar samples are evaluated in terms of their probabilities. Preference is given to the assumption that the KREEP may be a mixture of roughly equal proportions of (1) ejecta from Copernicus, (2) ejecta from Reinhold, (3) ejecta from local highlands, and (4) material excavated from Fra Mauro deposits buried below the landing site.

Wasson, J. T.↗

NASA NTRS1993

Regenerable biocide delivery unit

A method and apparatus are disclosed for maintaining continuous, long-term microbial control in the water supply for potable, hygiene, and experimental water for space activities, as well as treatment of water supplies on Earth. The water purification is accomplished by introduction of molecular iodine into the water supply to impart a desired iodine residual. The water is passed through an iodinated anion exchange resin bed. The iodine is bound as I-(sub n) at the anion exchange sites and releases I(sub 2) into the water stream flowing through the bed. The concentration of I(sub 2) in the flowing water gradually decreases and, in the prior art, the ion-exchange bed has had to be replaced. In a preferred embodiment, a bed of iodine crystals is provided with connections for flowing water therethrough to produce a concentrated (substantially saturated) aqueous iodine solution which is passed through the iodinated resin bed to recharge the bed with bound iodine. The bed of iodine crystals is connected in parallel with the iodinated resin bed and is activated periodically (e.g., by timer, by measured flow of water, or by iodine residual level) to recharge the bed. Novelty resides in the capability of inexpensively and repeatedly regenerating the ion-exchange bed in situ.

Sauer, Richard L.↗

NASA NTRS1978

Satellite Power Systems (SPS) Concept Definition Study. Volume 1: Executive Summary

The evolution of a total satellite power is described as well as major subsystem alternatives. Trade study results are given for satellite concepts, ground receiving antennas, satellite construction sites, and transportation. Point design definition, end-to-end analysis, and programmatics are covered. The GaAlAs photovoltaic concept is recommended as the current preliminary baseline satellite concept with silicon photovoltaic and Rankine cycle solar-thermal concepts as viable alternatives. Geosynchronous orbit is preferred for the construction of the satellite. A horizontal takeoff and landing air breathing rocket HLLV concept is preferred for earth-to-LEO transportation, with vertical takeoff options as viable alternatives. An argon electric orbit transfer vehicle is preferred for cargo transport from LEO and GEO orbit, and a chemical LH2/L02, two-stage orbit transfer vehicle is recommended for crew transport. A stripline rectenna array is the current preferred concept.

Hanley, G.↗

NASA NTRS2000

NASA Parts Selection List (NPSL) WWW Site http://nepp.nasa.gov/npsl

The NASA Parts Selection List (NPSL) is an on-line resource for electronic parts selection tailored for use by spaceflight projects. The NPSL provides a list of commonly used electronic parts that have a history of satisfactory use in spaceflight applications. The objective of this www site is to provide NASA projects, contractors, university experimenters, et al with an easy to use resource that provides a baseline of electronic parts from which designers are encouraged to select. The NPSL is an ongoing resource produced by Code 562 in support of the NASA HQ funded NASA Electronic Parts and Packaging (NEPP) Program. The NPSL is produced as an electronic format deliverable made available via the referenced www site administered by Code 562. The NPSL does not provide information pertaining to patented or proprietary information. All of the information contained in the NPSL is available through various other public domain resources such as US Military procurement specifications for electronic parts, NASA GSFC's Preferred Parts List (PPL-21), and NASA's Standard Parts List (MIL-STD975).

Brusse, Jay↗

DOE OSTI2024

An Adsorptive Membrane Platform for Precision Ion Separation: Membrane Design and First‐Principles Studies

One of the key challenges in separation science is the lack of precise ion separation methods and mechanistic understanding crucial for efficiently recovering critical materials from complex aqueous matrices. Herein, first-principles electronic structure calculations and in situ Raman spectroscopy are studied to elucidate the factors governing ion discrimination in an adsorptive membrane specifically designed for transition metal ion separation. Density functional theory calculations and in situ Raman data jointly reveal the thermodynamically favorable binding preferences and detailed adsorption mechanisms for competing ions. How membrane binding preferences correlate with the electronic properties of ligands is explored, such as orbital hybridization and electron localization. The findings underscore the importance of the phenolate group in oxime ligands for achieving high selectivity among competing transition metal ions. In-depth understanding on which specific atomistic site within the microenvironment of metal-ligand binding pockets governs the ion discrimination behaviors of the host will build a solid foundation to guide the rational design of next-generation materials for precision separation essential for energy technologies and environment remediation. In tandem, synthetic controllability is demonstrated to transform 3D micrometer-scale crystals to a 2D crystalline selective layer in membranes, paving the way for more precise and sustainable advances in separation science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Sampling Microbial Dynamics in the Salish Sea Estuary: Evaluating Methods to Capture Cyanobacteria and Cyanophage

Introduction: Picocyanobacteria from the genera Prochlorococcus and Synechococcus thrive across the globe in aquatic environments, have relatively small genomes, and have growth dynamics regulated by both viral interactions and abiotic conditions, making them excellent model organisms for exploring host-pathogencoevolution. Methods: We developed and refined methods to sample and sequence cyanobacteria, cyanophages, and measured features of their abiotic environment. Results: The protocol described herein can successfully discriminate large-cell eukaryotic organisms, but size fractionation of picocyanobacteria appears to be affected by the presence of free DNA, multicellular structures, and abundant tycheposons. Our preferred final protocol from this exploratory effort included a combination of in-line and single vacuum flask filtrations, which reduced filtration processing time by over threefold in some cases compared to other tested methods, such as a fully in-line sequence or in-site filtrations. We successfully extracted an average of approximately 400–1200 ng for all filter fractions, with some variations between kits. Discussion: The protocol described herein can successfully discriminate large-cell eukaryotic organisms, but size fractionation of picocyanobacteria appears to be affected by the presence of free DNA, multicellular structures, and abundant tycheposons.

Salish Sea↗

DOE OSTI2024

Elucidating the Impact of Cis – Trans Organic Structure Directing Agent Isomer Ratios on the Aluminum Distribution Within SSZ-39

Despite their widespread use, the mechanisms governing the synthesis of zeolite catalysts are still poorly understood. A notable example of this problem is the uncertainty surrounding the influence of synthesis conditions on the placement of Al atoms in the zeolite framework which determines the active sites available for catalytic species. In this work, the role of the cis to trans isomer ratio of the OSDA N,N-dimethyl-3-5-dimethylpiperidinium on the energetics of 26 distinct Al pair distributions in SSZ-39 is examined both in the presence and absence of Na using density functional theory calculations. The initial orientation of the OSDA was found to have a significant impact on the final energies present, necessitating the screening of a large number of initial orientations with force field calculations and single point DFT calculations. Ground state energies were found to vary significantly with the ratio of cis to trans OSDAs with a Boltzmann distribution revealing the most likely Al pair distributions shift from sharing the same 8 membered rings to sharing the same double six membered rings to having no shared subunits as one increases the amount of cis OSDA present within the framework. The presence of Na was found to favor Al pair distributions where both Als occupied the same 6-membered ring. When an implicit solvent model was used to evaluate ground state energies the ideal Na sites shifted from 6-membered rings to empty SSZ-39 cages while OSDA positions and orientations remained largely the same. To provide insight on how kinetic factors may influence Al distributions, formation energies we calculated for connected double six membered rings. Further, these formation energies revealed a preference for Al pairs to occupy the same 4-membered ring which indicates kinetic and thermodynamic control may lead to different Al distributions in SSZ-39.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Evaluation of a catalytic reduction technique for the measurement of total reactive odd-nitrogen NOy in the atmosphere

The suitability of a technique for the measurement of total reactive odd-nitrogen NOy-containing species in the atmosphere has been examined. In the technique, an NOy component species, which may include NO, NO2, NO3, HNO3, peroxyacetyl nitrate, and particulate nitrate, are catalytically reduced by CO to form NO molecules on the surface of a metal converter tube, and the NO product is detected by chemiluminescence produced in reaction with O3. Among the catalysts tested in the temperature range of 25-500 C, Au was the preferred catalyst. The results of laboratory tests investigating the effects of pressure, O3, and H2O on NOy conversion, and the possible sources of interference, have shown that the technique is suitable for atmospheric analyses. The results of a test in ambient air at a remote ground-based field site are included.

Fahey, D. W.↗

DOE OSTI2024

Changes in above- versus belowground biomass distribution in permafrost regions in response to climate warming

Permafrost regions contain approximately half of the carbon stored in land ecosystems and have warmed at least twice as much as any other biome. This warming has influenced vegetation activity, leading to changes in plant composition, physiology, and biomass storage in aboveground and belowground components, ultimately impacting ecosystem carbon balance. Yet, little is known about the causes and magnitude of long-term changes in the above- to belowground biomass ratio of plants (η). Here, in this study, we analyzed η values using 3,013 plots and 26,337 species-specific measurements across eight sites on the Tibetan Plateau from 1995 to 2021. Our analysis revealed distinct temporal trends in η for three vegetation types: a 17% increase in alpine wetlands, and a decrease of 26% and 48% in alpine meadows and alpine steppes, respectively. These trends were primarily driven by temperature-induced growth preferences rather than shifts in plant species composition. Our findings indicate that in wetter ecosystems, climate warming promotes aboveground plant growth, while in drier ecosystems, such as alpine meadows and alpine steppes, plants allocate more biomass belowground. Furthermore, we observed a threefold strengthening of the warming effect on η over the past 27 y. Soil moisture was found to modulate the sensitivity of η to soil temperature in alpine meadows and alpine steppes, but not in alpine wetlands. Our results contribute to a better understanding of the processes driving the response of biomass distribution to climate warming, which is crucial for predicting the future carbon trajectory of permafrost ecosystems and climate feedback.

54 ENVIRONMENTAL SCIENCES↗