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1,577 records · Page 26

Ultrafast Nanoimaging of Carrier Funneling in Composition-Graded Semiconductor Nanowires

Recent advances in bandgap engineering of low-dimensional semiconductors have enabled high-efficiency carrier transport in miniaturized electronic and optoelectronic devices. The physical properties and functionalities of these materials are governed by complex carrier dynamics coupled with multiple transport mechanisms in tailored band structures. Here, we report ultrafast nanoimaging of carrier funneling and recombination in composition-grade CdSxSe1-x nanowires using pump-probe near-field nanoscopy. Leveraging the high resolution of this technique in both space and time, we resolve nanoscale local carrier dynamics along composition-graded nanowires, revealing the local variation of composition-dependent carrier mobilities and lifetimes that significantly differ from their uniform composition counterparts. Furthermore, we demonstrate a length-dependent behavior wherein shorter nanowires exhibit enhanced funneling effects, accelerating carrier transport by up to 33%. Our findings provide direct visualization of nanoscale carrier transport while supporting an effective approach for investigating complex carrier interactions in inhomogeneous semiconductor nanostructures, with implications for optimizing next-generation optoelectronic devices.

Yang, Rundi

A Case Study of AI-assisted Creation of a Thermodynamics Model of Precipitation Formation During Rapid Depressurization of a Vented Container

Precipitation may form in humid containers undergoing rapid depressurization. This precipitation may be liquid, i.e. fog, if the dewpoint is crossed above the freezing point of water, or direct snow crystallization if the dewpoint is crossed below the freezing point. Accurate modeling of this effect is potentially important for rapidly ascending vented containers in aircraft, spacecraft, and launch vehicles, as well as rapidly depressurizing vacuum chambers. A transient thermodynamics model of precipitation formation during the rapid depressurization of a container was developed in python. The model is written for a generic container and includes an optional water pool and water vapor source. Details of the model and results from several example cases spanning the full capabilities of the model, including a validation case, will be presented. Although the model is not novel, in contrast to prior works, this one was treated as a case study of the assistance of AI Large Language Models (LLMs) to create physical models. Impressions, performance, time, and cost of using AI for this task will be discussed.

precipitation

Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Abstract Interconnect materials play the critical role of routing energy and information in integrated circuits. However, established bulk conductors, such as copper, perform poorly when scaled down beyond 10 nm, limiting the scalability of logic devices. Here, a multi‐objective search is developed, combined with first‐principles calculations, to rapidly screen over 15,000 materials and discover new interconnect candidates. This approach simultaneously optimizes the bulk electronic conductivity, surface scattering time, and chemical stability using physically motivated surrogate properties accessible from materials databases. Promising local interconnects are identified that have the potential to outperform ruthenium, the current state‐of‐the‐art post‐Cu material, and also semi‐global interconnects with potentially large skin depths at the GHz operation frequency. The approach is validated on one of the identified candidates, CoPt, using both ab initio and experimental transport studies, showcasing its potential to supplant Ru and Cu for future local interconnects.

Chemistry

Earth Observations and Integrative Models in Support of Food and Water Security

Global food production depends upon many factors that Earth observing satellites routinely measure about water, energy, weather, and ecosystems. Increasingly sophisticated, publicly-available satellite data products can improve efficiencies in resource management and provide earlier indication of environmental disruption. Satellite remote sensing provides a consistent, long-term record that can be used effectively to detect large-scale features over time, such as a developing drought. Accuracy and capabilities have increased along with the range of Earth observations and derived products that can support food security decisions with actionable information. This paper highlights major capabilities facilitated by satellite observations and physical models that have been developed and validated using remotely-sensed observations. Although we primarily focus on variables relevant to agriculture, we also include a brief description of the growing use of Earth observations in support of aquaculture and fisheries.

Water Resources

High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster

Additively manufactured refractory high-entropy alloys with superior radiation resistance

Refractory high-entropy alloys (RHEAs) are promising candidates for next-generation nuclear and high-temperature applications. Among many approaches to manufacture RHEAs, additive manufacturing (AM) represents the most recent and advanced metal manufacturing method which allows near-net-shape manufacturing to reduce material waste and post-processing time. However, performance of AM RHEAs under complex irradiation conditions remains largely unexplored. Here, in this study, we demonstrate for the first time the response of directed energy deposition (DED) AM quaternary RHEAs (HfTaVW, CrTaVW) subjected to sequential dual-beam ion irradiation, consisting of helium pre-implantation followed by high-dose heavy ion bombardment. Compositions of DED AM RHEAs were selected using Monte Carlo (MC) simulations based on a cluster expansion (CE) Hamiltonian parameterized by density functional theory (DFT). Post-irradiation microstructural characterization revealed that the AM RHEA maintained remarkable stability, with suppressed helium bubble growth and reduced defect accumulation compared to conventional alloys. Even at high doses (∼100 dpa), the alloy exhibited no void swelling, a low density of dislocation loops, and no evidence of severe degradation. These results highlight the intrinsic ability of AM-derived microstructures and multicomponent chemistry to synergistically mitigate irradiation effects. Our findings establish AM RHEAs as a class of materials with superior resistance to radiation damage under conditions relevant to advanced fusion and fission environments and demonstrate the importance of sequential ion beam studies in evaluating their long-term performance.

36 MATERIALS SCIENCE

Computational Materials for Qualification and Certification (CM4QC) Strategy Document: Maturation of Computational Materials Methods for Aviation-Focused Qualification and Certification of Metal Additive Manufacturing (as an Example of Process-Intensive Materials)

Although considerable scientific and technological advances have been made in recent years in additive manufacturing (AM) processes, these advances have not translated into significant market penetration of AM parts within the aviation industry. It is broadly acknowledged that using traditional qualification and certification (Q&C) approaches for AM components is one of the most significant barriers to broader adoption of AM, resulting in high costs, long product development and certification timelines, and complex design iterations during the product development cycle. A new approach is urgently needed. This document lays out a vision for a new Q&C paradigm with increased use of computational materials (CM) methods aimed at decreasing the time and cost of Q&C of process-intensive material (PIM) approaches in the aviation industry, with AM as the immediate use case. This vision was developed with substantial input from industry, regulatory agencies, government research organizations, and academia.

Edward H Glaessgen

Optimization of a 10–Step Reduced CH₄/O₂ Combustion Mechanism for RDRE Applications

A 10-step, 9-species reduced mechanism for methane/oxygen combustion is evaluated and optimized for use in rotating detonation rocket engine (RDRE) simulations at an operating pressure of 10 bar. The mechanism is assessed against GRI-Mech 3.0 for ignition delay times, adiabatic equilibrium temperature and species, Chapman-Jouguet (CJ) detonation parameters, and laminar flame speed. A sequential Nelder–Mead optimization procedure is applied to the rate constants of reactions R1, R4, and R5, targeting ignition delay agreement over the equivalence ratio range φ = 1.0–1.4 and temperature range T = 1400–2000 K. The optimized mechanism achieves ignition delay agreement within 28% of GRI-Mech 3.0 for the temperature range relevant to RDRE operation (τ ≥ 5 μs). Adiabatic equilibrium temperatures and CJ detonation parameters are reproduced within 0.15% of GRI-Mech 3.0 values, confirming thermodynamic consistency of the mechanism. Laminar flame speed predictions deviate significantly from GRI-Mech 3.0, which is attributed to the absence of HO₂ chemistry in the reduced mechanism; this limitation does not affect RDRE simulation fidelity since laminar flame propagation is of secondary importance in RDREs.

Computational Fluid Dynamics

Characterization of lateral amorphous selenium photodetectors for low-photon and VUV detection at cryogenic temperatures

The performance of amorphous selenium (a-Se) as a cryogenic photodetector material is evaluated through a series of experiments using laterally structured devices operated in a custom optical test stand. These studies investigate the response of a-Se detectors to low-photon fluxes at high electric fields near avalanche conditions, the linearity of the photoconductive response over a wide dynamic range and the direct detection of narrowband 130 nm vacuum ultraviolet (VUV) illumination. At 87 K, matched-filter analysis shows reliable single-shot detection with efficiencies ≥80% and area under the curve (AUC) ≥ 0.85 using as few as ∼ 6800 incident 401 nm photons, corresponding to ∼ 3400 photons within field-active regions after accounting for geometric constraints. Measurements are performed at cryogenic temperatures using calibrated photon fluxes derived from a silicon photomultiplier reference and a characterized optical filter stack. Additional experiments using a tellurium-doped a-Se (a-SeTe) device explore the material's behavior under identical test conditions and demonstrate that avalanche is achievable in a-SeTe at cryogenic temperatures. The results demonstrate reproducible low-noise operation, VUV sensitivity and field-dependent gain behavior in a lateral a-Se architecture, representing the first reported observation of avalanche multiplication in laterally structured a-Se and a-SeTe devices at cryogenic temperatures. These findings support the potential integration of laterally structured a-Se devices into next-generation pixelated liquid-argon time projection chambers (TPCs) requiring scalable, high-field-compatible photon detection systems.

Amorphous selenium

Lake sediment heatwaves under global warming

Lake sediment heatwaves, driven by rising global temperatures, pose emerging threats to freshwater ecosystems by altering sediment thermal regimes and intensifying sediment biogeochemical processes. Here we present a global-scale assessment of lake sediment heatwaves, examining their historical patterns and projecting future trends under various climate scenarios in 41,499 representative lakes worldwide. Using daily simulated lake sediment temperatures from 1981 to 2010 and future (2071-2100) projections under three Shared Socioeconomic Pathways (SSP126, SSP370, SSP585), we investigate lake sediment heatwave characteristics, including their duration, intensity, frequency, and seasonal timing, worldwide. Our results show that lake sediment heatwaves are generally more persistent and frequent than lake surface heatwaves, with sediment heatwaves in pelagic regions experiencing a significant lag relative to surface conditions. Under future climate scenarios, sediment heatwaves are projected to intensify, with their duration and frequency increasing substantially, particularly under SSP585. These shifts could exacerbate the production of greenhouse gases like methane and increase sediment respiration rates in lakes. This study highlights the need to account for sediment heatwaves in freshwater ecosystem management and climate adaptation strategies to mitigate future impacts.

Limnology

Calculating a minimum overlap period for successful intercalibration of soil moisture sensors

Abstract Long‐term in situ soil moisture monitoring inevitably requires sensors to be replaced. Ensuing discontinuities in the data record can be mitigated by intercalibration, however it is unclear how long the existing sensor needs to remain alongside the newly installed before there is enough overlapping data to generate a robust intercalibration. We used 154 pairs of established and newly installed sensors within the Marena, Oklahoma, In Situ Sensor Testbed to determine if there is a minimum overlap time that should be considered when planning upcoming replacements. Hourly observations of the existing sensor were linearly calibrated to those of the newly installed sensor with coefficients determined from overlap periods incremented by 30 days until a reference period of 2 years was reached. The resulting bias, root‐mean‐square error, and correlation coefficient for sensor pairs indicate that a minimum of 6 to 9 months of overlapping data are required to generate a successful intercalibration. Extending that to a full year before decommissioning the old sensor results in a stable intercalibration with higher confidence.

Agriculture

Breaking the Energy Barrier of Heavy Metal Ion Diffusion in Micropores with Mesoporous 3D Graphene for Fast and Efficient Cu2+ Removal

Efficient removal of heavy metals from water critically depends not only on adsorption capacity but also on ion diffusion kinetics and the associated energy barriers. In conventional carbon adsorbents, severe diffusion confinement within micropores restricts ion transport, resulting in sluggish adsorption kinetics and large apparent activation energies despite high specific surface areas. Here, we demonstrate that this fundamental limitation is overcome by engineering meso/macroporous architectures in the 3D graphene materials synthesized via our discovered alkali-metal reactions with\\\\r\\\\n2\\\\r\\\\nCO. The unique 3D graphene materials possess defect-rich graphene frameworks with interconnected meso/macroporous networks, exhibiting simultaneously high surface area and greatly enhanced meso/macropore volume that enable efficient access to adsorption sites. As a result, the Cu2+ adsorption on 3D graphene proceeds with very low activation energies (4.98 kJ mol–1), which is almost 4 times smaller than on activated carbon (23.1 kJ mol–1). This finding offers a promising platform for efficient and sustainable water purification.

25 ENERGY STORAGE

Reduced fast-ion transport calculations of m = n = 1 fishbone-like instabilities in MAST-U

Fast-ion transport associated with an m = n = 1 fishbone-like burst in MAST-U discharge 47128 is investigated using a reduced guiding-center-based transport model (ORBIT-Kick) constrained by multi-diagnostic measurements. The two-dimensional beam-emission spectroscopy system provides measurements of the core poloidal mode structure and fluctuation amplitude, while EFIT++ reconstructions constrained by the motional Stark effect diagnostic indicate a flat q-profile with q 0 > 1⁠, indicating the absence of a resonant q = 1 surface and supporting a pressure-driven infernal-mode interpretation. Analytic m = n = 1 displacement profiles consistent with the measured core mode structure and equilibrium constraints are used as the mode structure inputs to ORBIT-Kick. The calculations show that the dominant resonances occur between the mode and co-passing fast ions, producing redistribution localized near the magnetic axis. Synthetic neutron camera signals from TRANSP-Kick recover up to 90% of the experimentally observed neutron deficit at the time of peak mode amplitude, indicating that the measured m = n = 1 mode is a dominant contributor to core fast-ion transport. However, the synthetic neutron signals recover rapidly, whereas the measured neutron emission continues to decrease after the peak amplitude. In conclusion, the remaining discrepancy may arise from contributions not included in the present single-harmonic model, including higher-m and higher-n harmonics, multi-harmonic interactions, and additional transport mechanisms, motivating future diagnostic development and modeling efforts to resolve and incorporate these additional contributions.

Wong, Henry H. [University of California, Los Ange

Thermal Performance of Common Bulk-Fill Cryogenic Insulation Materials in Helium and Hydrogen Background Gases

Maritime shipping of vast quantities of liquid hydrogen (LH 2 ) will be necessary to facilitate a global hydrogen ecosystem; with some studies estimating volumes up to 172,000 m 3 for individual tanker ships, and requiring stationary storage tanks at terminals of 50,000 m 3 to 100,000 m 3 —ten to fifteen times larger than the current largest tank, located at launch pad B at NASA Kennedy Space Center (KSC). Such a radical scale-up will push the boundary of traditional, vacuum-insulated tank designs. Hence, a potential need exists for non-vacuum solutions, which necessitates exploring the thermal performance of insulation materials in non-condensable background gasses at LH 2 temperatures, namely helium and hydrogen. Testing of two bulk-fill insulation materials common to large LH 2 storage tanks, perlite and glass bubbles, in helium and hydrogen was recently conducted by the Cryogenics Test Laboratory at KSC using the Cryostat-100 liquid nitrogen boiloff calorimeter per the ASTM C1774 standard methodology. Effective thermal conductivity (k e ) and heat flux (q) results for each insulation/gas combination are presented across the full vacuum range, as well as thermal profiles through the insulation thickness between 78 K and 293 K.

A M Swanger

Weak, shallow, dry convection over Angola increases offshore stratocumulus cloud droplet number concentrations

Boundary-layer cloud interactions involving shortwave-absorbing aerosols remain one of the least understood aerosol influences on climate. Here, we find the highest stratocumulus cloud droplet number concentrations over the southeast Atlantic occur when agricultural fires coincide with synoptically-weakened surface warming over Angola, occurring June-early August. Dry convection fills a shallow continental boundary layer with smoke, and a nighttime (local solar time 2-9) land breeze transports the aerosol into the marine boundary layer. Offshore aerosol transport is strengthened by low-level easterlies from a continental pressure high southeast of Angola. Simultaneously, the South Atlantic subtropical high is weaker, allowing extensive dispersal of aerosol offshore into the boundary layer, obscuring cloud brightening from shipping. Meteorological co-variation at synoptic scales compensates for cloud brightening by the smoke. Outgoing shortwave radiation increases by 15–20% of the monthly mean in June and July when offshore droplet numbers are less but the stratocumulus deck is more developed.

54 ENVIRONMENTAL SCIENCES

Life cycle test results of a bipolar nickel hydrogen battery

A history is given of low Earth orbit (LEO) laboratory test data on a 6.5 ampere-hour bipolar nickel hydrogen battery designed and built at the NASA Lewis Research Center. The bipolar concept is a means of achieving the goal of producing an acceptable battery, of higher energy density, able to withstand the demands of low-Earth-orbit regimes. Over 4100 LEO cycles were established on a ten cell battery. It seems that any perturbation on normal cycling effects the cells performance. Explanations and theories of the battery's behavior are varied and widespread among those closely associated with it. Deep discharging does provide a reconditioning effect and further experimentation is planned in this area. The battery watt-hour efficiency is about 75 percent and the time averaged, discharge voltage is about 1.26 volts for all cells at both the C/4 and LEO rate. Since a significant portion of the electrode capacity has degraded, the LEO cycle discharges are approaching depths of 90 to 100 percent of the high rate capacity. Therefore, the low end-of-discharge voltages occur precipitously after the knee of the discharge curve and is more an indication of electrode capacity and is a lesser indicator of overall cell performance.

Cataldo, R. L.

Flame retardant biogenic building insulation materials from hemp fiber

Biogenic thermal insulation materials are in high demand because of its carbon-sequestration nature. However, high flammability, moisture condensation, and relatively high thermal conductivity of biogenic material are major concerns for sustainable building applications. In this study, we report the fire-retardant cellulose xerogel insulation nanocomposites derived from hemp fiber recycling and silica xerogel, in which the boric acid treatment improves its fire retardancy. The as-prepared materials show a low thermal conductivity of 31.3 mW/m K, high flexural modulus of 665 MPa, hydrophobicity with the water contact angle of 115°, and fire retardancy with 30% weight loss over a period of burning time 10 min. Overall, this work provides an effective method for the synthesis of fire-retardant biogenic thermal insulation materials and shows a promising way for next-generation bio-based insulation materials.

36 MATERIALS SCIENCE

Super-resolution imaging reveals resistance to mass transfer in functionalized stationary phases

Chemical separations are costly in terms of energy, time, and money. Separation methods are optimized with inefficient trial-and-error approaches that lack insight into the molecular dynamics that lead to the success or failure of a separation and, hence, ways to improve the process. We perform super-resolution imaging of fluorescent analytes in five different commercial liquid chromatography materials. Unexpectedly, we observe that chemical functionalization can block more than 50% of the material’s porous interior, rendering it inaccessible to small-molecule analytes. Only in situ imaging unveils the inaccessibility when compared to the industry-accepted ex situ characterization methods. Selectively removing some of the functionalization with solvent restores pore access without substantially altering the single-molecule kinetics that underlie the separation and agree with bulk chromatography measurements. Our molecular results determine that commercial “fully porous” stationary phases are over-functionalized and provide an alternative avenue to characterize and direct separation material design from the bottom-up.

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