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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 865 records · Page 48

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NASA NTRS1983

Numerical simulation of vortex breakdown by the vortex-filament method

The vortex filament method was applied to the simulation of vortex breakdown. The principal vortex region was represented by multiple filaments, and an axial velocity component was induced by a spiral winding of the filaments. First, an accuracy check was performed for a cylindrical swirling flow with simple analytical expressions for the axial and theta velocities. The result suggests that the flow field is simulated to any accuracy by increasing the number of filaments. Second, an axisymmetric type vortex breakdown was simulated, with experimental data serving as upstream conditions. The calculated axial and theta velocity contours show the breakdown of the vortex, including a rapid change in the vortex core, followed axially by a recovery zone and then a second breakdown. When three dimensional initial data are used the second breakdown appears to be of the spiral type in correspondence with experimental observations. The present method is easily used to simulate other types of vortex breakdown or other vortex flows with axial velocity.

Nakamura, Y.↗

NASA NTRS1983

Numerical simulation of vortex breakdown by the vortex-filament method

The vortex-filament method was applied to the simulation of vortex breakdown. The principal vortex region was represented by multiple filaments, and an axial velocity component was induced by a spiral winding of the filaments. An accuracy check was performed for a cylindrical swirling flow with simple analytical expressions for the axial and theta velocities. The result suggests that the flow field can be simulated to any accuracy by increasing the number of filaments. An axisymmetric-type vortex breakdown was simulated, with experimental data serving as upstream conditions. The calculated axial- and theta-velocity contours show the breakdown of the vortex, including a rapid change in the vortex core, followed axially by a recovery zone and then a second breakdown. When three dimensional initial data are used the second breakdown appears to be of the spiral type in correspondence with experimental observations. The present method can easily be used to simulate other types of vortex breakdown or other vortex flows with axial velocity.

Nakamura, Y.↗

DOE OSTI2016

Variations of the ISM compactness across the main sequence of star forming galaxies: Observations and simulations

The majority of star-forming galaxies follow a simple empirical correlation in the star formation rate (SFR) versus stellar mass (M{sub *}) plane, of the form SFR∝M{sub ∗}{sup α}, usually referred to as the star formation main sequence (MS). The physics that sets the properties of the MS is currently a subject of debate, and no consensus has been reached regarding the fundamental difference between members of the sequence and its outliers. Here we combine a set of hydro-dynamical simulations of interacting galactic disks with state-of-the-art radiative transfer codes to analyze how the evolution of mergers is reflected upon the properties of the MS. We present Chiburst, a Markov Chain Monte Carlo spectral energy distribution (SED) code that fits the multi-wavelength, broad-band photometry of galaxies and derives stellar masses, SFRs, and geometrical properties of the dust distribution. We apply this tool to the SEDs of simulated mergers and compare the derived results with the reference output from the simulations. Our results indicate that changes in the SEDs of mergers as they approach coalescence and depart from the MS are related to an evolution of dust geometry in scales larger than a few hundred parsecs. This is reflected in a correlation between the specific star formation rate, and the compactness parameter C, that parametrizes this geometry and hence the evolution of dust temperature (T{sub dust}) with time. As mergers approach coalescence, they depart from the MS and increase their compactness, which implies that moderate outliers of the MS are consistent with late-type mergers. By further applying our method to real observations of luminous infrared galaxies (LIRGs), we show that the merger scenario is unable to explain these extreme outliers of the MS. Only by significantly increasing the gas fraction in the simulations are we able to reproduce the SEDs of LIRGs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Uncertainty in Atlantic Multidecadal Oscillation derived from different observed datasets and their possible causes

As a leading mode of sea surface temperature (SST) variability over the North Atlantic in both observations and model simulations, the Atlantic Multidecadal Oscillation (AMO) can have a substantial influence on regional and global climate. By using Low-Frequency Component Analysis, we explore the uncertainties of the resulting AMO indices and the corresponding spatial patterns derived from three observational SST datasets. We found that the known coherent spatial pattern of the AMO at the basin scale over the North Atlantic appears in two out of the three datasets. Further analysis indicates that both the warming trend and the different techniques used to construct these observed gridded SSTs contribute to the AMO’s spatial coherence over the North Atlantic, especially during periods of sparse data sampling. The SST in the Extended Reconstructed SST dataset version 5 (ERSSTv5), changes from being systematically below the other datasets during the dense sampling periods on either side of the Second World War (WWII), to systematically above the other datasets during WWII, thereby introducing an artificial 10–20-year variability that affects the AMO’s spatial coherence. This coherence in the AMO’s spatial pattern is also affected by bias adjustment in ERSSTv5 at relative cool (i.e., non-summer) seasons, and by the heterogeneous North Atlantic warming pattern. The different AMO patterns can induce the different effects of wind, surface heat fluxes, and then drive ocean circulation and its heat transport convergence, especially for some seasons. For AMO indices, both the different detrending methods and different observational data result in uncertainty for the period 1935–1950. Such SST uncertainty is important to detect the relative role of the atmosphere and ocean in shaping the AMO.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Studies of NMR, molecular docking, and molecular dynamics simulation of new promising inhibitors of cruzaine from the parasite Trypanosoma cruzi

Cruzaine is the major cysteine protease of Trypanosoma cruzi. Cruzaine is involved throughout the parasite’s life cycle in host cells, and is a promising target in the search for new antichagasic agents. Quantum chemical calculations based on density functional theory (DFT B3LYP/cc-pVDZ) were performed to obtain nuclear magnetic resonance data and to optimize the geometry of four dihydrochalcones. The results showed good agreement with the experimental data and were used to suggest the relative stereochemistry of one of the four dihydrochalcones studied. In addition, we evaluated the interaction of cruzaine with these new inhibitors. We used molecular dynamics simulations, free energy calculations, and a per-residue energy decomposition method. It was observed that these molecules are capable of interacting with residues important for enzymatic activity, like Cys25, His161, and Asp160. The ranking of the inhibitors obtained from the binding free energy calculations is in agreement with that experimentally reported. The evaluation of the energy components involved in these calculations demonstrated that the van der Waals term is the major contributor to the drug–receptor stabilizing interactions.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Simulation Model of Microsphere Distribution for Selective Internal Radiation Therapy Agrees With Observations

Purpose: To perform a detailed analysis of microsphere distribution in biopsy material from a patient treated with {sup 90}Y-labeled resin spheres and characterize microsphere distribution in the hepatic artery tree, and to construct a novel dichotomous bifurcation model for microsphere deposits and evaluate its accuracy in simulating the observed microsphere deposits. Methods and Materials: Our virtual model consisted of arteries that successively branched into 2 new generations of arteries at 20 nodes. The artery diameter exponentially decreased from the lowest generation to the highest generation. Three variable parameters were optimized to obtain concordance between simulations and measure microsphere distributions: an artery coefficient of variation (ACV) for the diameter of all artery generations and the microsphere flow distribution at the nodes; a hepatic tree distribution volume (HDV) for the artery tree; and an artery diameter reduction (ADR) parameter. The model was tested against previously measured activity concentrations in 84 biopsies from the liver of 1 patient. In 16 of 84 biopsies, the microsphere distribution regarding cluster size and localization in the artery tree was determined via light microscopy of 30-μm sections (mean concentration, 14 microspheres/mg; distributions divided into 3 groups with mean microsphere concentrations of 4.6, 14, and 28 microspheres/mg). Results: Single spheres and small clusters were observed in terminal arterioles, whereas large clusters, up to 450 microspheres, were observed in larger arterioles. For 14 microspheres/mg, the optimized parameter values were ACV=0.35, HDV = 50 cm{sup 3}, and ADR=6 μm. For 4.6 microspheres/mg, ACV and ADR decreased to 0.26 and 0 μm, respectively, whereas HDV increased to 130 cm{sup 3}. The opposite trend was observed for 28 microspheres/mg: ACV = 0.49, HDV = 20 cm{sup 3}, and ADR = 8 μm. Conclusion: Simulations and measurements reveal that microsphere clusters are larger and more common in volumes with high microsphere concentrations and indicate that the spatial distribution of the artery tree must be considered in estimates of microsphere distributions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

NASA NTRS2013

Detection and Attribution of Anthropogenic Climate Change Impacts

Human-influenced climate change is an observed phenomenon affecting physical and biological systems across the globe. The majority of observed impacts are related to temperature changes and are located in the northern high- and midlatitudes. However, new evidence is emerging that demonstrates that impacts are related to precipitation changes as well as temperature, and that climate change is impacting systems and sectors beyond the Northern Hemisphere. In this paper, we highlight some of this new evidence-focusing on regions and sectors that the Intergovernmental Panel on Climate Change Fourth Assessment Report (IPCC AR4) noted as under-represented-in the context of observed climate change impacts, direct and indirect drivers of change (including carbon dioxide itself), and methods of detection. We also present methods and studies attributing observed impacts to anthropogenic forcing. We argue that the expansion of methods of detection (in terms of a broader array of climate variables and data sources, inclusion of the major modes of climate variability, and incorporation of other drivers of change) is key to discerning the climate sensitivities of sectors and systems in regions where the impacts of climate change currently remain elusive. Attributing such changes to human forcing of the climate system, where possible, is important for development of effective mitigation and adaptation. Current challenges in documenting adaptation and the role of indigenous knowledge in detection and attribution are described.

detection↗

DOE OSTI2025

Joint state-parameter estimation for the reduced fracture model via the united filter

Here, in this paper, we introduce an effective United Filter method for jointly estimating the solution state and physical parameters in flow and transport problems within fractured porous media. Fluid flow and transport in fractured porous media are critical in subsurface hydrology, geophysics, and reservoir geomechanics. Reduced fracture models, which represent fractures as lower-dimensional interfaces, enable efficient multi-scale simulations. However, reduced fracture models also face accuracy challenges due to modeling errors and uncertainties in physical parameters such as permeability and fracture geometry. To address these challenges, we propose a United Filter method, which integrates the Ensemble Score Filter (EnSF) for state estimation with the Direct Filter for parameter estimation. EnSF, based on a score-based diffusion model framework, produces ensemble representations of the state distribution without deep learning. Meanwhile, the Direct Filter, a recursive Bayesian inference method, estimates parameters directly from state observations. The United Filter combines these methods iteratively: EnSF estimates are used to refine parameter values, which are then fed back to improve state estimation. Numerical experiments demonstrate that the United Filter method surpasses the state-of-the-art Augmented Ensemble Kalman Filter, delivering more accurate state and parameter estimation for reduced fracture models. This framework also provides a robust and efficient solution for PDE-constrained inverse problems with uncertainties and sparse observations.

Bayesian inference↗

NASA NTRS1988

Future observations of and missions to Mercury

Key scientific objectives of Mercury explorations are discussed, and the methods by which remote observations of Mercury can be carried out from earth and from space are examined. Attention is also given to the scientific rationale and technical concepts for missions to Mercury. It is pointed out that multiple Venus-Mercury encounter trajectories exist which, through successive gravity assists, reduce mission performance requirements to levels deliverable by available systems, such as Titan-Centaur, Atlas-Centaur, and Shuttle/TOS. It is shown that a single launch in July of 1994, using a Titan-Centaur combination, could place a 1477-kg payload into orbit around Meercury. The components of a Mercury-orbiter payload designed to study surface geology and geochemistry, atmospheric composition and structure, the local particle and fields environment, and solid-body rotation dynamics are listed.

Stern, Alan S.↗

NASA NTRS2019

Observation of Absorbing Aerosols Above Clouds over the South-East Atlantic Ocean from the Geostationary Satellite SEVIRI – Part 1: Method Description and Sensitivity

High temporal resolution observations from satellites have a great potential for studying the impact of biomass burning aerosols and clouds over the South East Atlantic Ocean (SEAO). This paper presents a method developed to retrieve simultaneously aerosol and cloud properties in aerosol above cloud conditions from the geostationary instrument Meteosat Second Generation/Spinning Enhanced Visible and Infrared Imager (MSG/SEVIRI). The above-cloud Aerosol Optical Thickness (AOT), the Cloud Optical Thickness (COT) and the Cloud droplet Effective Radius (CER) are derived from the spectral contrast and the magnitude of the signal measured in three channels in the visible to shortwave infrared region. The impact of the absorption from atmospheric gases on the satellite signal is corrected by applying transmittances calculated using the water vapour profiles from a Met Office forecast model. The sensitivity analysis shows that a 10% error on the humidity profile leads to an 18.5% bias on the above-cloud AOT, which highlights the importance of an accurate atmospheric correction scheme. In situ measurements from the CLARIFY-2017 airborne field campaign are used to constrain the aerosol size distribution and refractive index that is assumed for the aforementioned retrieval algorithm. The sensitivities in the retrieved AOT, COT and CER to the aerosol model assumptions are assessed. Between 09:00-15:00 UTC, an uncertainty of 40% is estimated on the above-cloud AOT, which is dominated by the sensitivity of the retrieval to the single scattering albedo. The absorption AOT is less sensitive to the aerosol assumptions with an uncertainty generally lower than 17% between 09:00-15:00 UTC. Outside of that time range, as the scattering angle decreases, the sensitivity of the AOT and the absorption AOT to the aerosol model increases. The retrieved cloud properties are only weakly sensitive to the aerosol model assumptions throughout the day, with biases lower than 6% on the COT and 3% on the CER. The stability of the retrieval over time is analysed. For observations outside of the backscattering glory region, the time-series of the aerosol and cloud properties are physically consistent, which confirms the ability of the retrieval to monitor the temporal evolution of aerosol above cloud events over the SEAO.

Peers, Fanny↗

DOE OSTI2016

Constraining the mass–richness relationship of redMaPPer clusters with angular clustering

The potential of using cluster clustering for calibrating the mass–richness relation of galaxy clusters has been recognized theoretically for over a decade. In this paper, we demonstrate the feasibility of this technique to achieve high-precision mass calibration using redMaPPer clusters in the Sloan Digital Sky Survey North Galactic Cap. By including cross-correlations between several richness bins in our analysis, we significantly improve the statistical precision of our mass constraints. The amplitude of the mass–richness relation is constrained to 7 per cent statistical precision by our analysis. However, the error budget is systematics dominated, reaching a 19 per cent total error that is dominated by theoretical uncertainty in the bias–mass relation for dark matter haloes. We confirm the result from Miyatake et al. that the clustering amplitude of redMaPPer clusters depends on galaxy concentration as defined therein, and we provide additional evidence that this dependence cannot be sourced by mass dependences: some other effect must account for the observed variation in clustering amplitude with galaxy concentration. Assuming that the observed dependence of redMaPPer clustering on galaxy concentration is a form of assembly bias, we find that such effects introduce a systematic error on the amplitude of the mass–richness relation that is comparable to the error bar from statistical noise. Finally, the results presented here demonstrate the power of cluster clustering for mass calibration and cosmology provided the current theoretical systematics can be ameliorated.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Novel Geochemistry Determined from High Pressure, High Temperature Simulation Experiments of Hydraulic Fracture Test Site 2

A standard method in unconventional oil and gas production is the process of hydraulic fracturing followed by a shut-in period, during which the fracture fluid remains pressurized in the reservoir for up to three weeks before production begins. Despite this widely used process, very little is known about what occurs in the reservoir during this shut-in process. In order to properly delineate potential reservoir reactions that may occur during shut-in that would lead to corrosion and scaling events, experiments were conducted in high pressure, high temperature reactors to simulate conditions of the Wolfcamp Formation in the Delaware Basin. Experimental design allowed the assessment of the effect of proppant, microbiology, and time on the mineralogy and fluid chemistry in the reservoir. Results suggest the biggest impact on fluid chemistry and shale mineralogy during shut-in is time. Analyses demonstrate dissolution of the shale material, with maximum dissolved ions occurring after 7 days of the shut-in period. After 21 days, results suggest precipitation occurs. The Delaware Basin is demonstrated to be high in sulfate content, which further increases in the fluid due to dissolution reactions during shut-in. The pressure vessel experiments suggest there was no significant contribution to reactions from microbiology during the shut-in period. Furthermore, early production samples demonstrate a significant selection of the microorganism Caminicella, a genus of which has previously been correlated to corrosion and sulfide production. Results suggest shut-in conditions may provide high sulfate concentrations that could later be utilized by a shifted microbial community to drive potential well infrastructure failure. This is the first study to incorporate microbiology, mineralogy, and fluid chemistry to investigate the fundamental geochemical reactions that occur during shut-in and early phase production of the Delaware Downloaded from http://onepetro.org/URTECONF/proceedings-pdf/21URTC/2-21URTC/D021S032R001/2477425/urtec-2021-5219-ms.pdf/1 by Carol Worster on 28 February 2022 Basin. Results from this study can complement observations from the Hydraulic Fracture Test Site 2 observations

58 GEOSCIENCES↗

NASA NTRS1987

A new method of boundary parameter estimation for a two-dimensional diffusion system under noisy observations

The purpose of this paper is to establish a method for identifying unknown parameters involved in the boundary state of a class of diffusion systems under noisy observations. A mathematical model of the system dynamics is given by a two-dimensional diffusion equation. Noisy observations are made by sensors allocated on the system boundary. Starting with the mathematical model mentioned above, an online parameter estimation algorithm is proposed within the framework of the maximum likelihood estimation. Existence of the optimal solution and related necessary conditions are discussed. By solving a local variation of the cost functional with respect to the perturbation of parameters, the estimation mechanism is proposed in a form of recursive computations. Finally, the feasibility of the estimator proposed here is demonstrated through results of digital simulation experiments.

Sunahara, Y.↗

NASA NTRS1988

A method of boundary parameter estimation for a two-dimensional diffusion system under noisy observations

Sunahara, Y.↗

DOE OSTI2018

Borehole muography of subsurface reservoirs

Imaging subsurface rock formations or geological objects like oil and gas reservoirs, mineral deposits, cavities or even magmatic plumbing systems under active volcanoes has been for many years a major quest of geoscientists. Since these subsurface objects cannot be observed directly, different indirect methods have been developed. These methods are all based on variations of certain physical properties of the subsurface materials that can be detected from the ground surface or from boreholes. To determine the density distribution, a new imaging technique using cosmic-ray muon detectors deployed in a borehole has been developed and a first prototype of a borehole muon detector successfully tested. In addition to providing a static image of the subsurface density in three dimensions (or three-dimensional tomography), borehole muography can also inform on the variations of density with time, which recently became of major importance with the injection of large volumes of fluids, mainly water and CO2, in porous subsurface reservoirs (e.g. aquifer storage and recovery, wastewater disposal, enhanced oil recovery and carbon sequestration). This raises several concerns about the risk of leakage and the mechanical integrity of the reservoirs. Determining the field scale induced displacement of fluids by geophysical methods like muography is thus a priority.This article is part of the Theo Murphy meeting issue 'Cosmic-ray muography'.

58 GEOSCIENCES↗

DOE OSTI2017

Matching Charge Extraction Contact for Wide-Bandgap Perovskite Solar Cells

Efficient wide-bandgap (WBG) perovskite solar cells are needed to boost the efficiency of silicon solar cells to beyond Schottky–Queisser limit, but they suffer from a larger open circuit voltage (V OC ) deficit than narrower bandgap ones. Here, it is shown that one major limitation of V OC in WBG perovskite solar cells comes from the nonmatched energy levels of charge transport layers. Indene-C60 bisadduct (ICBA) with higher-lying lowest-unoccupied-molecular-orbital is needed for WBG perovskite solar cells, while its energy-disorder needs to be minimized before a larger V OC can be observed. A simple method is applied to reduce the energy disorder by isolating isomer ICBA-tran3 from the as-synthesized ICBA-mixture. WBG perovskite solar cells with ICBA-tran3 show enhanced V OC by 60 mV, reduced V OC deficit of 0.5 V, and then a record stabilized power conversion efficiency of 18.5%. This work points out the importance of matching the charge transport layers in perovskite solar cells when the perovskites have a different composition and energy levels.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Toward the analytic bootstrap of energy correlators

In this paper, we present a framework for the analytic bootstrap of three-point energy correlators, a crucial observable in $\mathcal{N}$ = 4 super Yang-Mills theory and quantum chromodynamics (QCD). Our approach combines spherical contour techniques, general physical constraints such as pole cancellations, and power correction data in the singular limits to determine its analytic expression. In contrast to previous bootstrap studies restricted to scattering amplitudes for supersymmetric theories, our framework makes use of the properties of Feynman integrals, marking a significant step toward bootstrapping realistic QCD observables. Using this method, we derive analytic expressions for leading-order three-point energy correlators in the multi-collinear limit with equal and unequal energy weights, where the latter are crucial ingredients for projected N -point energy correlators. We also apply the recently developed technique of analytic regression with lattice reduction as a way to bypass needing explicit expressions for the singular limits. Bridging theoretical advances in scattering amplitudes with the renewed interest in weighted cross-sections, our work opens the door to precision tests of QCD dynamics through analytic event-shape predictions.

jet substructure↗

DOE OSTI2022

Disentangling long and short distances in momentum-space TMDs

The extraction of nonperturbative TMD physics is made challenging by prescriptions that shield the Landau pole, which entangle long- and short-distance contributions in momentum space. The use of different prescriptions then makes the comparison of fit results for underlying nonperturbative contributions not meaningful on their own. We propose a model-independent method to restrict momentum-space observables to the perturbative domain. This method is based on a set of integral functionals that act linearly on terms in the conventional position-space operator product expansion (OPE). Artifacts from the truncation of the integral can be systematically pushed to higher powers in Λ QCD /k T . We demonstrate that this method can be used to compute the cumulative integral of TMD PDFs over k T ≤ k$^{cut}_{T}$ in terms of collinear PDFs, accounting for both radiative corrections and evolution effects. This yields a systematic way of correcting the naive picture where the TMD PDF integrates to a collinear PDF, and for unpolarized quark distributions we find that when renormalization scales are chosen near k$^{cut}_{T}$, such corrections are a percent-level effect. We also show that, when supplemented with experimental data and improved perturbative inputs, our integral functionals will enable model-independent limits to be put on the non-perturbative OPE contributions to the Collins-Soper kernel and intrinsic TMD distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗