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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

CO 2 hydrogenation: Selectivity control of CO versus CH 4 achieved using Na doping over Ru/m-ZrO 2 at low pressure

By doping 1%Ru/m-ZrO 2 with sodium, selectivity tuning between CO and CH 4 during CO 2 hydrogenation was achieved by controlling the relative rates of reverse water-gas shift and CO methanation. By increasing basicity through Na loading: (1) the formate C-H bond is weakened in DRIFTS of adsorbed CO, accelerating C-H bond formation of formate and promoting CO formation at the Ru/m-ZrO 2 interface; and (2) the coverage of Na increases on ensembles of Ru atoms responsible for methanation. Increasing Na content shifts selectivity from CH 4 (useful for synthetic natural gas) to CO, which can be used for Fischer-Tropsch synthesis or methanol-to-gasoline. Electronic modification of formate is likely due to enhanced basicity (strengthening bonding between catalyst and the-CO 2 function of formate and weakening C-H). In conclusion, no electron transfer from Na to Ru was detected in XANES. DRIFTS as a function of time and XPS results showed that Na exacerbates site blocking and deactivation.

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

Desolvation Processes in Channel Solvates of Niclosamide

The antiparasitic drug niclosamide (NCL) is notable for its ability to crystallize in multiple 1:1 channel solvate forms, none of which are isostructural. Here, using a combination of time-resolved synchrotron powder X-ray diffraction and thermogravimetry, the process-induced desolvation mechanisms of methanol and acetonitrile solvates are investigated. Structural changes in both solvates follow a complicated molecular-level trajectory characterized by a sudden shift in lattice parameters several degrees below the temperature where the desolvated phase first appears. Model fitting of kinetic data obtained under isothermal heating conditions suggests that the desolvation is rate-limited by the nucleation of the solvent-free product. The desolvation pathways identified in these systems stand in contrast to previous investigations of the NCL channel hydrate, where water loss by diffusion initially yields an anhydrous isomorph that converts to the thermodynamic polymorph at significantly higher temperatures. Taking the view that each solvate lattice is a unique “pre-organized” precursor, a comparison of the pathways from different starting topologies to the same final product provides the opportunity to reevaluate assumptions of how various factors (e.g., solvent binding strength, density) influence solid-state desolvation processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Aging of Self-Assembled Lead Halide Perovskite Nanocrystal Superlattices: Effects on Photoluminescence and Energy Transfer

Excitonic coupling, electronic coupling, and cooperative interactions in self-assembled lead halide perovskite nanocrystals were reported to give rise to a red-shifted collective emission peak with accelerated dynamics. Here we report that similar spectroscopic features could appear as a result of the nanocrystal reactivity within the self-assembled superlattices. This is demonstrated by studying CsPbBr 3 nanocrystal superlattices over time with room-temperature and cryogenic micro-photoluminescence spectroscopy, X-ray diffraction, and electron microscopy. It is shown that a gradual contraction of the superlattices and subsequent coalescence of the nanocrystals occurs over several days of keeping such structures under vacuum. As a result, a narrow, low-energy emission peak is observed at 4 K with a concomitant shortening of the photoluminescence lifetime due to the energy transfer between nanocrystals. When exposed to air, self-assembled CsPbBr 3 nanocrystals develop bulk-like CsPbBr 3 particles on top of the superlattices. At 4 K, these particles produce a distribution of narrow, low-energy emission peaks with short lifetimes and excitation fluence-dependent, oscillatory decays. Overall, the aging of CsPbBr 3 nanocrystal assemblies dramatically alters their emission properties and that should not be overlooked when studying collective optoelectronic phenomena nor confused with superfluorescence effects.

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

Antecedent Hydrologic Conditions Reflected in Stream Lithium Isotope Ratios During Storms

Antecedent hydrological conditions are recorded through the evolution of dissolved lithium isotope signatures (δ 7 Li) by juxtaposing two storm events in an upland watershed subject to a Mediterranean climate. Discharge and δ 7 Li are negatively correlated in both events,but mean δ 7 Li ratios and associated ranges of variation are distinct between them. We apply a previously developed reactive transport model (RTM) for the site to these event-scale flow perturbations, but observed shifts in stream δ 7 Li are not reproduced. To reconcile the stability of the subsurface solute weathering profile with our observations of dynamic stream δ 7 Li signatures, we couple the RTM to a distribution of fluid transit times that evolve based on storm hydrographs. The approach guides appropriate flux-weighting of fluid from the RTM over a range of flow path lengths, or equivalently fluid residence times. This flux-weighted RTM approach accurately reproduces dynamic storm δ 7 Li-discharge patterns distinguished by the antecedent conditions of the watershed.

58 GEOSCIENCES↗
DOE OSTI2021

Experimental warming differentially affects vegetative and reproductive phenology of tundra plants

Rapid climate warming is altering Arctic and alpine tundra ecosystem structure and function, including shifts in plant phenology. While the advancement of green up and flowering are well-documented, it remains unclear whether all phenophases, particularly those later in the season, will shift in unison or respond divergently to warming. Here, we present the largest synthesis to our knowledge of experimental warming effects on tundra plant phenology from the International Tundra Experiment. We examine the effect of warming on a suite of season-wide plant phenophases. Results challenge the expectation that all phenophases will advance in unison to warming. Instead, we find that experimental warming caused: (1) larger phenological shifts in reproductive versus vegetative phenophases and (2) advanced reproductive phenophases and green up but delayed leaf senescence which translated to a lengthening of the growing season by approximately 3%. Patterns were consistent across sites, plant species and over time. The advancement of reproductive seasons and lengthening of growing seasons may have significant consequences for trophic interactions and ecosystem function across the tundra.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Achieving a robust grassy-ELM operation regime in CFETR

We have identified a robust grassy-edge localized mode (ELM) operation regime for future tokamak reactors. The regime exists within a pedestal top electron collisionality (ν*) window at high global poloidal beta (β p ). The existence of an upper ν* limit for grassy-ELMs is consistent with results previously reported in experiments (Oyama et al 2010 Nucl. Fusion 50 064014), while the existence of a lower ν* limit has not been reported previously. Using EPED and BOUT++, a theoretical model that quantitatively explains the physics of the grassy-ELMs within the window, which distinguishes them from the small mixed-ELMs at lower ν*, is presented for the first time. A peeling-ballooning stability boundary is obtained by scanning the operating density space. The change in density corresponds to a change in ν* that affects the pedestal bootstrap current. High β p leads to a strong Shafranov shift, which affects the flux surface averaged pressure drive. The two effects combine to create a peeling-dominated window in intermediate ν* buffered by ballooning-dominated regimes. Only the peeling-dominated regime shows a cyclic behavior in the perturbed pressure during the nonlinear simulation of an ELM crash, reminiscent of grassy-ELM dynamics. Similarly, the energy released across the separatrix is demonstrated to be significantly smaller. The quick recovery of the ELM crash is explainable by the rapid rise of a low n kink-peeling instability when the pedestal current I ped exceeds a threshold at high β p . It minimizes the excursion beyond marginal stability and is absent in the ballooning-dominated regime. Comparison with recent experiments over a range of β p and ν* strongly supports the physical picture proposed by the modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Atomlike interaction and optically tunable giant band-gap renormalization in large-area atomically thin MoS2

Coulomb interactions in atomically thin transition metal dichalcogenides can be dynamically engineered by exploiting the dielectric environment to control the optical and electronic properties. Here we demonstrate an optically tunable giant band-gap renormalization (BGR) ~1200 and 850 meV from the edge of the conduction band and complete suppression of the exciton absorption in large-area single-layer (1L) and three-layer (3L) MoS2, respectively. The observed giant BGR is two orders of magnitude larger than that in the conventional semiconductors, and it persists for tens of ps. Strikingly, our results demonstrate photoinduced transparency at the electronic band gap using an intense optical field at room temperature. Exciton bleach recovery in 1L and 3L show a contrasting fluence-dependent response, demonstrating the layer-dependent optical tuning of exciton lifetime in a way that would be both reversible and real time. We find that the optical band gap (exciton resonance peak) shows a transient redshift followed by an anomalous blueshift from the lowest energy point as a function of the photo-generated carrier density. The observed exciton energy shift is analogous to atom-atom interactions, and it varies as a Lennard-Jones like potential as a function of the interexciton separation.

2D semiconductors↗
DOE OSTI2021

Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) (Field Campaign Report)

The Arctic is rapidly changing, and these changes have substantial societal relevance. First, arctic change is a leading sign of global change, as the warming observed in the Arctic is 2-3 times faster than observed across the rest of the globe. This so-called arctic amplification is due to numerous feedbacks, including those linked to the declining sea ice. Broad arctic changes are also hypothesized to be related to shifts in large-scale circulation patterns that may have implications for mid-latitude weather and ocean circulation. Arctic change is further affecting the oceans through acidification that threatens food supplies. Declining sea ice also opens the Arctic for new resource development, shipping routes, tourism, and other commercial activities. Lastly, the changing Arctic is a hotbed for geopolitical challenges as nations vie for influence and control of this resource-rich and newly accessible region. Clearly the Arctic and its changes are playing a huge role in our Earth both from a geophysical and socio-political standpoint. To navigate, manage, and respond to the challenges associated with arctic change requires a vastly improved understanding of the coupled arctic system, and the drivers and implications of these changes. It is essential to better understand the physical basis for why the arctic sea ice is declining, the associated feedbacks that work to amplify or modulate this decline, and the myriad ways that the Earth system is responding. As a result of these changes and uncertainties, there are increasing societal needs for improved model predictive skill in the Arctic, to address pressing gaps in global climate prediction, to advance forecast skills for regional and hemispheric weather and sea ice, and to ensure robust ecosystem models that realistically link physical and biological systems. To fulfill these core needs requires new, sophisticated, and cross-cutting observations within the rapidly changing arctic ice pack.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Adaptive Space-Time Methods for Large Scale Optimal Design

When modeling complex physical systems with advanced dynamics, such as shocks and singularities, many classic methods for solving partial differential equations can return inaccurate or unusable results. One way to resolve these complex dynamics is through r-adaptive refinement methods, in which a fixed number of mesh points are shifted to areas of high interest. The mesh refinement map can be found through the solution of the Monge-Ampére equation, a highly nonlinear partial differential equation. Due to its nonlinearity, the numerical solution of the Monge-Ampére equation is nontrivial and has previously required computationally expensive methods. In this report, we detail our novel optimization-based, multigrid-enabled solver for a low-order finite element approximation of the Monge-Ampére equation. This fast and scalable solver makes r-adaptive meshing more readily available for problems related to large-scale optimal design. Beyond mesh adaptivity, our report discusses additional applications where our fast solver for the Monge-Ampére equation could be easily applied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Characterization and interaction of geometric and contact/impact nonlinearities in dynamical systems

Here, we study how a contact/impact nonlinearity interacts with a geometric cubic nonlinearity in an oscillator system. Specific focus is shown to the effects on bifurcation behavior and secondary resonances (i.e., super- and sub-harmonic resonances). The effects of the individual nonlinearities are first explored for comparison, and then the influences of the combined nonlinearities, varying one parameter at a time, are analyzed and discussed. Nonlinear characterization is then performed on an arbitrary system configuration to study super- and sub-harmonic resonances and grazing contacts or bifurcations. Both the cubic and contact nonlinearities cause a drop in amplitude and shift up in frequency for the primary resonance, and they activate high-amplitude subharmonic resonance regions. The nonlinearities seem to never destructively interfere. The contact nonlinearity generally affects the system’s superharmonic resonance behavior more, particularly with regard to the occurrence of grazing contacts and the activation of many bifurcations in the system’s response. The subharmonic resonance behavior is more strongly affected by the cubic nonlinearity and is prone to multistable behavior. Perturbation theory proved useful for determining when the cubic nonlinearity would be dominant compared to the contact nonlinearity. The limiting behaviors of the contact stiffness and freeplay gap size indicate the cubic nonlinearity is dominant overall. It is demonstrated that the presence of contact may result in the activation of several bifurcations. In addition, it is proved that the system’s subharmonic resonance region is prone to multistable dynamical responses having distinct magnitudes.

42 ENGINEERING↗
DOE OSTI2022

Poly(cyclosilane) Connectivity Tunes Optical Absorbance

We report herein the influence of skeletal connectivity on the conformation-dependent optical properties of cyclosilane homo- and copolymers. 1,3-Linked cyclosilanes were bathochromically shifted by 20 nm in solution relative to 1,4-linked cyclosilanes, an effect reproduced by quantum chemical calculations on oligomeric model systems. Polysilane optical properties are conformation-dependent, and 1,3-linked cyclosilanes were hypothesized to adopt a favorable conformation unavailable to 1,4-linked cyclosilanes constrained to an endocyclic gauche conformation. Copolymerization of the isomeric cyclosilanes 1,3Si 6 and 1,4Si 6 afforded linear statistical copolymers, as characterized by 1 H and 29 Si NMR spectroscopies. The distinct connectivity of each comonomer was found to give rise to tunable absorption spectra, where the position of the absorption band systematically increased with the increased corporation of 1,3Si 6 . Computational studies pointed to conformation-dependent changes in orbital symmetry in shifting the most intense transition from the low-energy highest occupied molecular orbital (HOMO) → lowest unoccupied molecular orbital (LUMO) transition to a higher-energy HOMO → LUMO + n transition. Here, the results of these studies demonstrate for the first time the role of silicon skeletal connectivity in controlling conformation and optoelectronic properties and provide new insight into the structure-based design of solution-processable silicon-based polymeric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sea Level-Driven Marsh Migration Results in Rapid Net Loss of Carbon

Sea level rise alters coastal carbon cycling by driving the rapid migration of coastal ecosystems, salinization of freshwater systems, and replacement of terrestrial forests with tidal wetlands. Wetland soils accumulate carbon (C) at faster rates than terrestrial soils, implying that sea level rise may lead to enhanced carbon accumulation. Here, we show that carbon stored in tree biomass greatly exceeds carbon stored in adjacent marsh soils so that marsh migration reduces total carbon stocks by ~50% in less than 100 years. Continued marsh soil carbon accumulation may eventually offset forest carbon loss, but we estimate that the time for replacement is similar to estimates of marsh survival (i.e., centuries), which suggests that forest C may never be replaced. These findings reveal a critical C source not included in coastal C budgets driven by migrating ecosystems and rapidly shifting allocations between carbon stored in soils and biomass.

58 GEOSCIENCES↗
DOE OSTI2022

Multichannel haptic feedback unlocks prosthetic hand dexterity

Abstract Loss of tactile sensations is a major roadblock preventing upper limb-absent people from multitasking or using the full dexterity of their prosthetic hands. With current myoelectric prosthetic hands, limb-absent people can only control one grasp function at a time even though modern artificial hands are mechanically capable of individual control of all five digits. In this paper, we investigated whether people could precisely control the grip forces applied to two different objects grasped simultaneously with a dexterous artificial hand. Toward that end, we developed a novel multichannel wearable soft robotic armband to convey artificial sensations of touch to the robotic hand users. Multiple channels of haptic feedback enabled subjects to successfully grasp and transport two objects simultaneously with the dexterous artificial hand without breaking or dropping them, even when their vision of both objects was obstructed. Simultaneous transport of the objects provided a significant time savings to perform the deliveries in comparison to a one-at-a-time approach. This paper demonstrated that subjects were able to integrate multiple channels of haptic feedback into their motor control strategies to perform a complex simultaneous object grasp control task with an artificial limb, which could serve as a paradigm shift in the way prosthetic hands are operated.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Pricing Strategy of Electric Vehicle Aggregators Based on Locational Marginal Price to Minimize Photovoltaic (PV) Curtailment

The global climate crisis demands urgent action to mitigate global warming. Using renewable energy sources, such as solar and wind power, for electricity generation is crucial. This shift from centralized to distributed power systems, however, brings challenges, including voltage fluctuations and renewable energy curtailment. The rapid growth of the electric vehicle (EV) industry adds complexity, increasing overall electricity demand and straining the power supply during peak charging times. This paper proposes a scheduling strategy for EV aggregators to reduce renewable energy curtailment and stabilize grid operation by strategically scheduling EV charging. Using Multi -Agent Transport Simulation (MATSim), a traffic simulation tool, EV driving data in Denver, Colorado, USA, were modeled. The EV aggregator adjusts charging fees based on locational marginal prices, encouraging EVs to charge at different stations according to pricing. Simulations on an IEEE 33-bus system with distributed energy resources and EV charging stations validate the proposed algorithm, demonstrating its effectiveness in reducing curtailment by 12.55% and stabilizing grid operation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Downscaled precipitation and mean air temperature datasets; East-Taylor subbasin; 2008-2019; daily temporal resolution; 400 m spatial resolution

This dataset provides gridded meteorological forcing data (specifically, daily precipitation and daily mean air temperature). The dataset has been generated by downscaling the Parameter-elevation Regressions on Independent Slopes Model (PRISM) dataset from a spatial resolution of 800 m to 400 m. The time period is 2008-2019, and the mapped area is East Taylor subbasin in Upper Colorado. The data are in the form of NetCDF files, arranged by year. Compared to the PRISM dataset, the dates of the downscaled dataset are shifted backwards by one (e.g., downscaled data for May 25 corresponds to PRISM data for May 26). This temporal shifting makes the meteorological forcing correspond more closely to the prescribed date. The NetCDF format is a standard raster format that can be read using any Geographic Information System (GIS) software; plenty of modules exist in popular scripting languages (such as Python, R and Matlab) that can also be used to read NetCDF files.East_Taylor_Tavg_PRISM400 corresponds to mean air temperature.East_Taylor_Precip_PRISM400.zip corresponds to precipitation.The proprietary PRISM data (800 m resolution) were purchased with funding from the Watershed Function Scientific Focus Area supported by U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under award no. DE-AC02-05CH11231.Dataset update on March 9, 2022:Uploaded new data files that are identical to the earlier files but are now in the NetCDF format, arranged by year. Earlier, the files were in the GeoTiff format, arranged by date.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

The Effect of Large-scale Magnetic Fluctuations on Energetic Particle Profiles across Interplanetary Shocks

In situ observations of energetic particles associated with interplanetary (IP) shocks, known as energetic storm particle (ESP) events, often show time-intensity profiles quite different from predictions of classical diffusive shock acceleration theory. We use numerical simulations, including test-particle simulations and hybrid simulations (with fluid electrons and kinetic protons) for shocks propagating into a turbulent magnetic field to study the ESP intensity-time profiles across a strong IP shock. We find that several types of energetic particle intensity profiles similar to in situ observations can be produced in our simulations. The peak of energetic particle count is often near, but can be shifted from, the locations of the shock front, with the peak usually being observed downstream of the shock. These findings may help understand particle acceleration at both traveling IP shocks and shocks in other heliospheric and astrophysical environments.

Lo, Ming-Yuan [New Mexico Consortium (NMC), Los Al↗
DOE OSTI2023

High-resolution (30-m) urban land cover projections for Los Angeles California Urban Area: 2010 to 2100 under SSP5

These data represent simulations of future land use and land cover (LULCC) for Los Angeles urban area (U.S. Census Bureau defined area) as raster tiff images at a 30-m pixel resolution and at decadal time steps from 2010 to 2100. LULCC classes in this product follow the National Land Cover Dataset (NLCD) classification. NLCD 21-24 correspond to open developed, low developed, medium developed, and high developed urban land classes, respectively. Only urban land cover classes (NLCD class 21, 22, 23, and 24) are dynamic over time; however, all NLCD classes are included in the final product. Therefore, NLCD classes that do not convert to an urban class will be similar to year 2000. The products were developed using a hybridized statistical and cellular automata approach. Linear mixed models (LMMs) were used to estimate future urban land budgets based on 1-km urban land fraction projections from Gao and Pesaresi (2021), whereas separate generalized linear mixed models (GLMMs) were used to estimate shifts in urban land intensities based on retrospective shifts in NLCD urban class intensities over a 20- year period. Based on urban land allocations from the statistical models, a cellular-automata and downscaling routine was used to simulate dynamic urban land expansion at a 30-m resolution based on suitability criteria. Scenarios of future urban landcover change projections include variant solutions for the Shared Socioeconomic Pathway 5 (SSP5) based on different population assumptions, different land use intensification assumptions, variable land zoning constraints, and iterative adjustments to correct for over allocation of urban expansion across decadal time periods from 2010 to 2100. This results in 320 raster products.

Land↗