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NASA NTRS2010

Study of Plume Impingement Effects in the Lunar Lander Environment

Plume impingement effects from the descent and ascent engine firings of the Lunar Lander were analyzed in support of the Lunar Architecture Team under the Constellation Program. The descent stage analysis was performed to obtain shear and pressure forces on the lunar surface as well as velocity and density profiles in the flow field in an effort to understand lunar soil erosion and ejected soil impact damage which was analyzed as part of a separate study. A CFD/DSMC decoupled methodology was used with the Bird continuum breakdown parameter to distinguish the continuum flow from the rarefied flow. The ascent stage analysis was performed to ascertain the forces and moments acting on the Lunar Lander Ascent Module due to the firing of the main engine on take-off. The Reacting and Multiphase Program (RAMP) method of characteristics (MOC) code was used to model the continuum region of the nozzle plume, and the Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) was used to model the impingement results in the rarefied region. The ascent module (AM) was analyzed for various pitch and yaw rotations and for various heights in relation to the descent module (DM). For the ascent stage analysis, the plume inflow boundary was located near the nozzle exit plane in a region where the flow number density was large enough to make the DSMC solution computationally expensive. Therefore, a scaling coefficient was used to make the DSMC solution more computationally manageable. An analysis of the effectiveness of this scaling technique was performed by investigating various scaling parameters for a single height and rotation of the AM. Because the inflow boundary was near the nozzle exit plane, another analysis was performed investigating three different inflow contours to determine the effects of the flow expansion around the nozzle lip on the final plume impingement results.

Marichalar, Jeremiah↗

DOE OSTI2023

Numerical study of proppant transport and settling processes in fractures

Reservoir stimulation by creating hydraulically conductive fractures is the key step for enabling enhanced geothermal systems (EGS). The effectiveness of stimulation is significantly influenced by the deposition of proppant inside induced fractures. The transportation and settling of proppant in a propagating fracture is controlled by a multitude of operational and physical parameters, including the fracturing fluid rheology, injection rate, proppant concentration, fracture length/aperture evolution, proppant size/density/shape, etc. A numerical tool that robustly and efficiently accounts for all important attributes can facilitate the design and optimization of reservoir stimulation. This study presents the novel computational tool ELK (ELectrical fracKing) developed for the numerical simulation of proppant-fluid mixture circulation in a fractured geothermal reservoir. We enriched the MOOSE-based PorousFlow module with a suite of equations to consider the fluid-proppant mixture with particle-particle/fluid interactions, which include gravitational settling, particle convection, particle hampering, and strong density and viscosity contrasts. The computational tool is validated by comparing the predicted proppant bed evolution against two different laboratory scale experiments of proppant transport in a fixed aperture channel. Further parameter studies were performed, and the modeling results show that the proppant deposition is determined by the mixing characteristics and settling of the particles from the slurry. Concentration-dependent density and viscosity lead to an inhomogeneous distribution of the proppant, particle collision, and enhanced settling at the bottom of the fractures. Preliminary coupling with dynamic fracture propagation shows promising results and will be further developed to simulate hydraulic stimulation at high fidelity.

15 GEOTHERMAL ENERGY↗

DOE OSTI2026

Evidence for Photoinduced Polaron Generation in a High Persistence Length Low Bandgap Conjugated Polymer in Solution

Using ultrafast time-resolved infrared (TRIR) spectroscopy, we studied the solution-phase excited-state structural evolution of an indacenodithiophene-co-benzothiadiazole polymer (C8-IDTBT). Following band gap excitation, the TRIR spectra reveal vibrational features that develop within 10 ps and decay over 4 ns. Using pulse radiolysis measurements, charge-modulation spectroscopy, and quantum-chemical calculations, the IR features are assigned to polaron pairs. Interestingly, these features appear on an evolving broad mid-IR electronic absorption background, with kinetics correlating with the formation and decay of the cationradical vibrational bands. A three-state kinetic model successfully reproduces the spectral evolution, revealing that the polaron and exciton populations exist in dynamic equilibrium on picosecond time scales, with time constants for exciton dissociation in the range of 3− 5 ps and polaron-to-exciton reformation between 20 and 100 ps, while both species decay to the ground state on much slower nanosecond time scales (∼1 ns), yielding a remarkably high polaron-generation efficiency, higher than 50%. These findings provide fundamental insights into intramolecular charge photogeneration mechanisms in conjugated polymers, demonstrating efficient bound-polaron formation in isolated polymer chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Delayed coastal inundations caused by ocean dynamics post-Hurricane Matthew

Post Hurricane Abnormal Water Level (PHAWL) poses a persistent inundation threat to coastal communities, yet unresolved knowledge gaps exist regarding its spatiotemporal impacts and causal mechanisms. Using a high-resolution coastal model with a set of observations, we find that the PHAWLs are up to 50 cm higher than the normal water levels for several weeks and cause delayed inundations around residential areas of the U.S. Southeast Coast (USSC). Numerical experiments reveal that while atmospheric forcing modulates the coastal PHAWLs, ocean dynamics primarily driven by the Gulf Stream control the mean component and duration of the shelf-scale PHAWLs. Because of the large spatial impact of the post-hurricane oceanic forcing, the coastal hazards are not limited to a direct hit from a hurricane but can be detected throughout the USSC where the oceanic processes reach.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2005

Wave-driven Equatorial Annual Oscillation Induced and Modulated by the Solar Cycle

Our model for the solar cycle (SC) modulation of the Quasi-Biennial Oscillation (QBO) produces a hemispherically symmetric 12-month Annual Oscillation (AO) in the zonal winds, which is confined to low latitudes. This Equatorial Annual Oscillation (EAO) is produced by interaction between the anti-symmetric component of SC forcing and the dominant anti-symmetric AO. The EA0 is amplified by the upward propagating small- scale gravity waves (GW), and the oscillation propagates down through the stratosphere like the QBO. The amplitude of the EA0 is relatively small, but its SC modulation contributes significantly to extend the effect to lower altitudes. Although the energy of the EA0 is concentrated at low latitudes, prominent signatures appear in the Polar Regions where the SC produces measurable temperature variations. At lower altitudes, the SC effects are significantly different in the two hemispheres because of the EAO, and due to its GW driven downward propagation the phase of the annual cycle is delayed.

Mayr, Hans G.↗

NASA NTRS2008

Dominance of ENSO-Like Variability in Controlling Tropical Ocean Surface Energy Fluxes in the Satellite Era

Ocean surface turbulent and radiative fluxes are critical links in the climate system since they mediate energy exchange between the two fluid systems (ocean and atmosphere) whose combined heat transport determines the basic character of Earth's climate. Moreover, interannual to decadal climate variability depends crucially on the nature of these exchange processes. For example, addressing the question of the degree to which the global hydrologic cycle is changing depends on our ability to observe and model these fluxes accurately. In this work we investigate the interannual to decadal variation of fluxes over the global tropics, especially the tropical oceans. Recent versions of satellite-derived fresh water flux estimates as well as some reanalyses (e.g. products from Remote Sensing Systems, the Woods Hole Oceanographic Institute, and Global Precipitation Climatology Project) suggest that increases in evaporation and precipitation over the past 20 years exceed those expected on the basis of climate model projected responses to greenhouse gas forcing. At the same time, it is well known that E1 Nino / Southern Oscillation behavior in the Pacific exhibits significant variability at scales longer than interannual. We examine here the degree to which surface fluxes attending these interannual to decadal fluctuations are related to ENSO. We examine consistency between these data sets and explore relationships between SST variations, flux changes and modulation of tropical Walker and Hadley circulations.

Robertson, F. R.↗

NASA NTRS2014

A Spatially Coherent Global Soil Moisture Product with Improved Temporal Resolution

Global soil moisture products that are completely independent of any type of ancillary data and solely rely on satellite observations are presented. Additionally, we further develop an existing downscaling technique that enhances the spatial resolution of such products to approximately 11 km. These products are based on internal modules of the Land Parameter Retrieval Model (LPRM), an algorithm that uses the radiative transfer equation to link soil moisture, vegetation optical depth and land surface temperature to observed brightness temperatures. The soil moisture product that is independent of any type of ancillary data uses the internally calculated dielectric constant as a soil moisture proxy. This data product is not influenced by errors associated with coarse-scale global soil property maps or by any other type of forcing (e.g. re-analysis) data and is therefore solely based on satellite microwave observations. The second step builds upon recent developments to increase the spatial resolution of the LPRM retrievals using a smoothing filter downscaling method. With this method we can attain a spatial resolution that can be more useful at the scale of local and regional hydrological studies as well. The steps presented in this paper were applied to observations from the Advanced Microwave Scanning Radiometer-Earth Observing System (AMSR-E). The newly derived data sets were validated using ground-based observations from the International Soil Moisture Network (ISMN). The internally calculated dielectric constant product results in significantly more days with valid retrievals than the original soil moisture data products, in particular over arid regions. The dielectric constant product resulted in similar correlations with in situ data as the original soil moisture data product. Together, these findings demonstrate the usefulness of this new dielectric constant product for the hydrological modeling community and climate studies. A case study on the Australian Fitzroy catchment demonstrated that the downscaled data product has a more detailed spatial description of soil moisture, especially during wet and dry conditions with more pronounced dry and wet regions within the catchment. The increased resolution data products could therefore improve runoff predictions and this study demonstrated the potential added value of a transitioning from a spatial resolution of 56 km toward a higher resolution of 11 km. The hydrological implications of these newly developed data records are not only linked to AMSR-E satellite data, but also to the next generation Soil Moisture Active and Passive (SMAP) mission where a 9 km spatial resolution is the target resolution for satellite soil moisture products. The new data products will not replace the current LPRM products, but will be added to the existing array of data products and will become publicly available through our data portals.

spatial↗

DOE OSTI2020

Visualization of Multifractal Superconductivity in a Two-Dimensional Transition Metal Dichalcogenide in the Weak-Disorder Regime

Eigenstate multifractality is a distinctive feature of noninteracting disordered metals close to a metal–insulator transition, whose properties are expected to extend to superconductivity. While multifractality in three dimensions (3D) only develops near the critical point for specific strong-disorder strengths, multifractality in 2D systems is expected to be observable even for weak disorder. Here we provide evidence for multifractal features in the superconducting state of an intrinsic, weakly disordered single-layer NbSe 2 by means of low-temperature scanning tunneling microscopy/spectroscopy. The superconducting gap, characterized by its width, depth, and coherence peaks’ amplitude, shows a characteristic spatial modulation coincident with the periodicity of the quasiparticle interference pattern. The strong spatial inhomogeneity of the superconducting gap width, proportional to the local order parameter in the weak-disorder regime, follows a log-normal statistical distribution as well as a power-law decay of the two-point correlation function, in agreement with our theoretical model. Furthermore, the experimental singularity spectrum f(α) shows anomalous scaling behavior typical from 2D weakly disordered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Ultrafast Carrier–Lattice Interactions and Interlayer Modulations of Bi 2 Se 3 by X-ray Free-Electron Laser Diffraction

We report as a 3D topological insulator, bismuth selenide (Bi 2 Se 3 ) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. Understanding the coupling with its topological phase requires studying the interactions of carriers with the lattice on time scales down to the sub-picosecond regime. Here we investigate the ultrafast carrier-induced lattice contractions and interlayer modulations in Bi 2 Se 3 thin films by time-resolved diffraction using an X-ray free-electron laser. The lattice contraction depends on the carrier concentration and is followed by an interlayer expansion accompanied by oscillations. Using density functional theory (DFT) and the Lifshitz model, the initial contraction can be explained by van der Waals force modulation of the confined free carrier layers. Our theory suggests that band inversion, related to a topological phase transition, is modulated by the expansion of the interlayer distance. These results provide insights into the topological phase control by light-induced structural change on ultrafast timescales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

An optical nanoreporter of endolysosomal lipid accumulation reveals enduring effects of diet on hepatic macrophages in vivo

The abnormal accumulation of lipids within the endolysosomal lumen occurs in many conditions, including lysosomal storage disorders, atherosclerosis, nonalcoholic fatty liver disease (NAFLD), and drug-induced phospholipidosis. Current methods cannot monitor endolysosomal lipid content in vivo, hindering preclinical drug development and research into the mechanisms linking endolysosomal lipid accumulation to disease progression. We developed a single-walled carbon nanotube–based optical reporter that noninvasively measures endolysosomal lipid accumulation via bandgap modulation of its intrinsic near-infrared emission. The reporter detected lipid accumulation in Niemann-Pick disease, atherosclerosis, and NAFLD models in vivo. By applying the reporter to the study of NAFLD, we found that elevated lipid quantities in hepatic macrophages caused by a high-fat diet persist long after reverting to a normal diet. The reporter dynamically monitored endolysosomal lipid accumulation in vivo over time scales ranging from minutes to weeks, indicating its potential to accelerate preclinical research and drug development processes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Real-World Demonstration of a New, American Low-Head Hydropower Turbine (Final Technical Report)

Hydro Green Energy (HGE) has designed and model tested a Modular Bulb Turbine (MBT) with a simplified civil structure which shows potential to provide an economical alternative for undeveloped low-head projects in the United States, such as at existing locks and dams and constructed waterways. The primary objective of this project was to fabricate, install and operate a full scale interchangeable Modular Bulb Turbine (MBT), which will be inserted in a Large Frame Module (LFM) and supporting civil infrastructure designed by Hydro Green Energy at Braddock Locks and Dam, a low-head hydropower project site at an existing lock and dam currently in federal licensing by Hydro Green Energy. HGE would finance and install the remaining six turbines, which would have completed the larger 5.2 MW head hydropower project.

13 HYDRO ENERGY↗

DOE OSTI2022

Analysis of Compressibility Effects and Nonlinear Property Variations in a Supercritical CO2 Mixing Layer

Calculations are performed using the large eddy simulation technique to qualitatively assess the effects of fluid compressibility and thermodynamic nonlinearities on the dynamics of a supercritical flow field. Resulting data are also used to interrogate instantaneous subfilter-scale fields, as modeled by the mixed-dynamic Smagorinsky closure and gradient diffusion model. A three-dimensional wall-resolved calculation of a spatially evolving mixing layer composed solely of carbon dioxide is performed. This is followed by a coarse grid calculation to examine model performance as a function of resolution. Theoretical analysis indicates that the partial derivatives of density with respect to pressure and temperature are important modulators of the temperature and pressure field evolution, respectively. Results pertaining to subfilter velocity-velocity and velocity-temperature fields indicate that the models are most stressed in the regions where compressibility and thermo-fluid nonlinearities dominate the physics.

42 ENGINEERING↗

NASA NTRS2000

Probabilistic Multi-Scale, Multi-Level, Multi-Disciplinary Analysis and Optimization of Engine Structures

Aircraft engines are assemblies of dynamically interacting components. Engine updates to keep present aircraft flying safely and engines for new aircraft are progressively required to operate in more demanding technological and environmental requirements. Designs to effectively meet those requirements are necessarily collections of multi-scale, multi-level, multi-disciplinary analysis and optimization methods and probabilistic methods are necessary to quantify respective uncertainties. These types of methods are the only ones that can formally evaluate advanced composite designs which satisfy those progressively demanding requirements while assuring minimum cost, maximum reliability and maximum durability. Recent research activities at NASA Glenn Research Center have focused on developing multi-scale, multi-level, multidisciplinary analysis and optimization methods. Multi-scale refers to formal methods which describe complex material behavior metal or composite; multi-level refers to integration of participating disciplines to describe a structural response at the scale of interest; multidisciplinary refers to open-ended for various existing and yet to be developed discipline constructs required to formally predict/describe a structural response in engine operating environments. For example, these include but are not limited to: multi-factor models for material behavior, multi-scale composite mechanics, general purpose structural analysis, progressive structural fracture for evaluating durability and integrity, noise and acoustic fatigue, emission requirements, hot fluid mechanics, heat-transfer and probabilistic simulations. Many of these, as well as others, are encompassed in an integrated computer code identified as Engine Structures Technology Benefits Estimator (EST/BEST) or Multi-faceted/Engine Structures Optimization (MP/ESTOP). The discipline modules integrated in MP/ESTOP include: engine cycle (thermodynamics), engine weights, internal fluid mechanics, cost, mission and coupled structural/thermal, various composite property simulators and probabilistic methods to evaluate uncertainty effects (scatter ranges) in all the design parameters. The objective of the proposed paper is to briefly describe a multi-faceted design analysis and optimization capability for coupled multi-discipline engine structures optimization. Results are presented for engine and aircraft type metrics to illustrate the versatility of that capability. Results are also presented for reliability, noise and fatigue to illustrate its inclusiveness. For example, replacing metal rotors with composites reduces the engine weight by 20 percent, 15 percent noise reduction, and an order of magnitude improvement in reliability. Composite designs exist to increase fatigue life by at least two orders of magnitude compared to state-of-the-art metals.

Chamis, Christos C.↗

NASA NTRS2002

Revolutionary Concepts for Helicopter Noise Reduction: SILENT Program

As part of a NASA initiative to reduce helicopter main rotor noise, a Phase 1 study has been performed of candidate noise reduction concepts. Both conventional and novel design technologies have been analyzed that reduce the community impact of helicopter operations. In this study the noise reduction potential and design implications are assessed for conventional means of noise reduction, e.g., tip speed reduction, tip shapes and airfoil tailoring, and for two innovative design concepts: modulated blade spacing and x-force control. Main rotor designs that incorporate modulated blade spacing are shown to have reduced peak noise levels in most flight operations. X-force control alters the helicopter's force balance whereby the miss distance between main rotor blades and shed vortices can be controlled. This control provides a high potential to mitigate BVI noise radiation. Each concept is evaluated using best practice design and analysis methods, achieving the study's aim to significantly reduce noise with minimal performance degradation and no vibration increase. It is concluded that a SILENT main rotor design, incorporating the modulated blade spacing concept, offers significantly reduced noise levels and the potential of a breakthrough in how a helicopter's sound is perceived and judged. The SILENT rotor represents a definite advancement in the state-of-the-art and is selected as the design concept for demonstration in Phase 2. A Phase 2 Implementation Plan is developed for whirl cage and wind tunnel evaluations of a scaled model SILENT rotor.

Edwards, Bryan↗

DOE OSTI2025

Development of an In Situ Fission Gas Release Instrument for Fuel Sample Irradiations in the High Flux Isotope Reactor

Experimental measurement of gaseous fission product release with respect to temperature and burnup is a critical aspect of understanding nuclear fuel performance, validating predictive models, and qualifying new fuels. To measure this phenomenon in real-time, Oak Ridge National Laboratory has developed an instrument for measuring in situ fission gas release from small-scale fuel samples irradiated in the High Flux Isotope Reactor (HFIR). The instrument uses a continuous flow of Heover the fuel samples to sweep gaseous fission products from a sealed capsule in the HFIR Be reflector to an instrument station adjacent to the reactor. The instrument station houses two high-purity germanium (HPGe) detectors that measure decay gamma rays from fission products passing through a room temperature dwell chamber placed over the detector crystal. The sealed capsules in the reactor are designed to modulate fuel sample temperatures between 700 and 1,100°C by changing the Ar/He gas mixture surrounding the capsules during irradiation. N-type thermocouples are incorporated into the capsule housing to record real-time fuel temperatures. The capsules are heated primarily by prompt gamma rays emitted from the HFIR core with minimal heat contributions from fission in the fuel samples to minimize temperature gradients in the specimens for separate-effects characterization of the material. This paper describes modeling of time-dependent nuclear heating and fission product formation in fuel samples, thermal characteristics of the in-core capsules, and expected gaseous fission product gamma spectra at the HPGe instrument station.

Mulligan, Padhraic L [ORNL] (ORCID:000000025826540↗

DOE OSTI2026

Urban Land Surface Effects on Summertime Clouds and Moist Convection in Houston Under Different Synoptic Conditions

Urban landscapes modify cloud formation and convection through complex thermodynamic and aerodynamic processes; however, their influence under different synoptic regimes remains poorly understood. This study investigates the impact of the Houston metropolitan area on summertime cloud cover and convective cell characteristics using a combination of satellite observations, radar data, and high-resolution process-based modeling. We isolate urban effects by comparing model simulations with realistic urban land cover against hypothetical scenarios where all urban areas are replaced by rural vegetation. Results reveal that Houston's land cover consistently enhances cloud fraction and convective activity relative to surrounding rural areas, altered by large-scale meteorological forcing. Under weakly forced conditions, enhanced surface heat flux primarily contributes to driving low-level convergence and vertical ascent, leading to over 8% cloud fraction increase between 2 and 6 km over the city. Under strongly forced conditions, urban influences manifest differently depending on cloud type. For non-convective clouds, the city acts as a barrier that decelerates and lifts moist southerly inflow, increasing low cloud cover over the urban core, while decreasing it downwind the city. For convective clouds, both synoptic ascent and urbanization modulate moisture redistribution and cloud structure, producing modest cloud enhancement over the city and slight suppression over the downwind area. Urbanization exerts small changes in the intensity of the convective cells; however, it significantly decreases their duration and traveling distance. This work highlights the importance of accounting for land surface heterogeneity in modeling clouds and precipitation and demonstrates that urban impacts on clouds are highly regime-dependent.

Liu, Ye [Pacific Northwest National Laboratory (PN↗

DOE OSTI2024

Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers

Here, in this work, we compare two structurally near-amorphous rigid-rod polymers-poly(indacenodithiophene-co-benzothiadiazole), p(IDT-BT), and poly(indacenodithiophene-co-benzopyrollodione), p(IDT-BPD)-with orders of magnitude different mobilities to understand the effect charge carrier intrachain delocalization has on electronic transport. Quantum chemical calculations show that p(IDT-BPD) has a barrier to torsion that is significantly lower than that of p(IDT-BT) and is thus more likely to have reduced conjugation lengths. We utilize absorption and photoluminescence spectroscopy to characterize energetic disorder and show that p(IDT-BPD) has higher energetic disorder. Charge modulation spectroscopy (CMS) and model calculations are used to show that charge carriers are substantially delocalized in p(IDT-BT) and occupy near-uniform energetic environments. We find that mobility activated hopping barriers are similar in these two materials. Electronic structure calculations show that both intrachain and interchain couplings of monomer units are poor enough in p(IDT-BPD) that charge carriers collapse to single IDT units and transport via a through-space tunneling mechanism. This work highlights the remarkable charge transport properties of p(IDT-BT) by showing that high mobilities are achievable on device-relevant length scales with only 1D carrier delocalization.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Air Pollution Forecasts Using the NASA GEOS Model: A Unified Tool from Local to Global Scales

We present a new high-resolution global composition forecast system produced by NASA's Global Modeling and Assimilation Office. The NASA Goddard Earth Observing System (GEOS) model has been expanded to provide global near-real-time 5-day forecasts of atmospheric composition at unprecedented horizontal resolution of 0.25 degrees (~25 km). This composition forecast system (GEOS-CF) system combines the operational GEOS weather forecasting model with the state-of-the-science GEOS-Chem chemistry module (version 12) to provide detailed analysis of a wide range of air pollutants such as ozone, carbon monoxide, nitrogen oxides, and fine particulate matter (PM2.5). Satellite observations are assimilated into the system for improved representation of weather and smoke.

Knowland, K. Emma↗