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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Viewfactor and Raytracing for AgriPV Modeling

View factor models are used in due diligence software to calculate rear irradiance for bifacial modules. An intermediate step in this calculation is the irradiance at the ground level, which can be leveraged for evaluating the Photo Active Radiation available for crops in Agrivoltaic setups. This paper presents the metrics and modifications to the model for ground irradiance study with the view factor approach, compares it to the raytracing method, and validates it with field measurements of ground irradiance. It is found that for the clearances, row-to-row setups, and tilts studied, the view factor method matches with raytracing results within 2% MBD. The comparison is performed for the nine most common agriPV configurations using high-performance computing and the NSRDB database for the whole US, with results and data made available open-source on the InSPIRE AgriPV website.

AgriPV↗
DOE OSTI2026

Fast and accurate calculation of EXAFS Debye-Waller factors in U⁢O2 using the dynamical matrix method

Theoretical modeling of bonding dynamics in metal oxides is required for predicting their thermal conductivity, catalytic activity, and mechanical properties. A primary challenge is the scarcity of experimental methods for validating theoretical predictions of these atomic-scale dynamics. This work presents a workflow that uses experimental extended x-ray absorption fine structure (EXAFS) data collected at high temperatures to validate an interatomic force field for uranium dioxide (UO2), an important model material. The validated force field is then used to drive computationally intensive molecular dynamics (MD) simulations and as input for the much faster dynamical matrix Debye-Waller (DMDW) method. The predicted values of the Debye-Waller factors from the DMDW calculations are in good agreement with those obtained from the MD simulations, with residual pair-specific differences attributable to quantum zero-point motion at low temperatures and lattice anharmonicity at high temperatures. We further show that theoretical EXAFS spectra constructed directly from DMDW-derived Debye-Waller factors reproduce the experimental data (at relatively low temperatures) with accuracy comparable to full MD-EXAFS, providing an additional validation of the choice of the potential. This study establishes a validated, rapid computational pathway for modeling bond dynamics, naturally incorporating quantum nuclear\\\\r\\\\nstatistics absent in classical simulations, which are essential for the mechanistic understanding of complex oxide materials.

58 GEOSCIENCES↗
DOE OSTI2016

Efficient implicit LES method for the simulation of turbulent cavitating flows

We present a numerical method for efficient large-eddy simulation of compressible liquid flows with cavitation based on an implicit subgrid-scale model. Phase change and subgrid-scale interface structures are modeled by a homogeneous mixture model that assumes local thermodynamic equilibrium. Unlike previous approaches, emphasis is placed on operating on a small stencil (at most four cells). The truncation error of the discretization is designed to function as a physically consistent subgrid-scale model for turbulence. We formulate a sensor functional that detects shock waves or pseudo-phase boundaries within the homogeneous mixture model for localizing numerical dissipation. In smooth regions of the flow field, a formally non-dissipative central discretization scheme is used in combination with a regularization term to model the effect of unresolved subgrid scales. The new method is validated by computing standard single- and two-phase test-cases. Comparison of results for a turbulent cavitating mixing layer obtained with the new method demonstrates its suitability for the target applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Independent Verification Plan for Clearance of Real Property of the Operation Roller Coaster Sites

The U.S. Department of Energy (DOE) is pursuing release of the Operation Roller Coaster sites under DOE O 458.1, “Radiation Protection of the Public and the Environment.” The requirements for clearance and release of property under DOE O 458.1 are implemented when DOE intends to facilitate transfer of responsibility or control of real property from DOE. DOE O 458.1 prescribes that all radiological monitoring or surveys performed in support of clearance of property must use methods such as the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) method or other methods approved by DOE. DOE O 458.1 requires an Independent Verification for the clearance of real property. This Independent Verification Plan outlines the process for validating the method and implementation of the MARRSIM process for release of the Operation Roller Coaster sites.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Inference of Unresolved Point Sources at High Galactic Latitudes Using Probabilistic Catalogs

The detection of point sources in images is a fundamental operation in astrophysics, and is crucial for constraining population models of the underlying point sources or characterizing the background emission. Standard techniques fall short in the crowded-field limit, losing sensitivity to faint sources and failing to track their covariance with close neighbors. We construct a Bayesian framework to perform inference of faint or overlapping point sources. The method involves probabilistic cataloging, where samples are taken from the posterior probability distribution of catalogs consistent with an observed photon count map. In order to validate our method, we sample random catalogs of the gamma-ray sky in the direction of the North Galactic Pole (NGP) by binning the data in energy and point-spread function classes. Using three energy bins spanning 0.3–1, 1–3, and 3–10 GeV, we identify 270{sub −10}{sup +30} point sources inside a 40{sup ∘}×40{sup ∘} region around the NGP above our point-source inclusion limit of 3×10{sup −11} cm{sup −2} s{sup −1} sr{sup −1} GeV{sup −1} at the 1–3 GeV energy bin. Modeling the flux distribution as a power law, we infer the slope to be −1.92{sub −0.05}{sup +0.07} and estimate the contribution of point sources to the total emission as 18{sub −2}{sup +2}%. These uncertainties in the flux distribution are fully marginalized over the number as well as the spatial and spectral properties of the unresolved point sources. This marginalization allows a robust test of whether the apparently isotropic emission in an image is due to unresolved point sources or of truly diffuse origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

PMU-data-driven Event Classification in Power Transmission Grids

This paper presents an event classification in transmission grids. The convolutional neural network (CNN)-based classifier is proposed to capture the temporal similarity of time-synchronized data stream from phasor measurement units (PMUs). The proposed CNN is trained using Bayesian optimization to search for the best hyperparameters. The effectiveness of the proposed event classification is validated through the real-world dataset from the U.S. transmission grids. This dataset includes line outage, transformer outage, frequency, and oscillation events. The validation process also includes different PMU outputs, such as voltage magnitude, phase angle, current magnitude, frequency, and rate of change of frequency (ROCOF). The results show that ROCOF gives the best classification performance compared to other PMU outputs. In addition, it is shown that the classifier trained with a larger dataset has higher accuracy. Moreover, the superiority of the proposed method is validated through comparison with other state-of-the-art classification methods.

Niazazari, Iman↗
DOE OSTI2019

The Oxidation Mechanism of Pure Magnesium Powder Particles: A Mathematical Approach

In this study, the mechanism of nonisothermal oxidation of magnesium powder was determined using a tension analysis, which was performed by mathematical modeling and the finite element method. The results revealed that phase transformation of magnesium hydroxide to magnesium oxide in the oxide layer plays an important role in this process so that formation of magnesium hydroxide in the early stages of oxidation (< 450 °C) leads to the formation of compressive stresses through the oxide layer, and as a result, the beginning of measurable oxidation is delayed. The results obtained by the mathematical model and finite element method were validated by the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental measurements of gas-particle flows in large-scale strippers

Measurements of gas–solid particle flow in a large-scale stripper unit are reported. The experiments target industrial (pilot) scale measurements of gas-particle flow that can be used to validate numerical methods for modeling multiphase flows, such as computational fluid dynamics coupled to the discrete element method (CFD-DEM). Specifically, experiments were performed with Geldart Group B (533 µm) glass beads in a stripper unit. In general, previous CFD-DEM validation datasets were performed in benchtop experimental systems and limited to O(10 5 ) particles. Here, in this work, the number of particles in the isolated section of the stripper is O(10 7 ) for all tests. Measurements are reported for a ~2 m tall section of the ~1 m diameter stripper. Radial mass flux profiles measured at five axial positions and three axial pressure drop measurements are reported for six operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Analysis of persistent contaminants and personal care products by dispersive liquid-liquid microextraction using hydrophobic magnetic deep eutectic solvents

Here, in this work, hydrophobic magnetic deep eutectic solvents (HMDESs) were used in the development of a simple and rapid dispersive liquid-liquid microextraction (DLLME) approach coupled to high performance liquid chromatography with UV detection (HPLC-UV) for the determination of ten organic contaminants including five polycyclic aromatic hydrocarbons, four UV filters, and a pesticide from water at trace levels. The HMDESs were prepared by mixing a hydrogen bond acceptor, metal halide salt, and hydrogen bond donor in suitable molar ratios. Two HMDESs, 2 tetraoctylammonium bromide ([N 8888 + ][Br - ]): cobalt chloride (CoCl 2 ): 4 octanoic acid (OA) and 3 trioctylphosphine oxide (TOPO): neodymium chloride (NdCl 3 ): 3 OA, offered the highest analyte extraction efficiency overall and were chosen as suitable solvents for validation of the microextraction method. Under optimized extraction conditions, the method required 30 µL of HMDES as extraction solvent, acetone (87.5 µL) as disperser solvent, a NaCl concentration of 30% (w/v), and an extraction time of 120 s at 20°C. Enrichment factors of the analytes ranged from 44.6 for 3-(4-methylbenzylindene) camphor to 66.0 for 2-ethylhexyl-4-(dimethyl)aminobenzoate. The method provided low limits of detection (LODs) ranging from 0.5 to 4.5 µg L -1 , and acceptable precision, with RSD values lower than 9.6%. Furthermore, the validated method was successfully applied for tap and lake water analysis, resulting in relative recoveries of spiked samples ranging between 94.7 and 119.2%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

An Algorithm for Enhancing the Image Contrast of Electron Tomography

Abstract Three-dimensional (3D) reconstruction of a single protein molecule is essential for understanding the relationship between the structural dynamics and functions of the protein. Electron tomography (ET) provides a tool for imaging an individual particle of protein from a series of tilted angles. Individual-particle electron tomography (IPET) provides an approach for reconstructing a 3D density map from a single targeted protein particle (without averaging from different particles of this type of protein), in which the target particle was imaged from a series of tilting angles. However, owing to radiation damage limitations, low-dose images (high noise, and low image contrast) are often challenging to be aligned for 3D reconstruction at intermediate resolution (1–3 nm). Here, we propose a computational method to enhance the image contrast, without increasing any experimental dose, for IPET 3D reconstruction. Using an edge-preserving smoothing-based multi-scale image decomposition algorithm, this method can detect the object against a high-noise background and enhance the object image contrast without increasing the noise level or significantly decreasing the image resolution. The method was validated by using both negative staining (NS) ET and cryo-ET images. The successful 3D reconstruction of a small molecule (<100 kDa) indicated that this method can be used as a supporting tool to current ET 3D reconstruction methods for studying protein dynamics via structure determination from each individual particle of the same type of protein.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Primordial Non-Gaussianities and Zero-Bias Tracers of the Large-Scale Structure

In this study, we develop a new method to constrain primordial non-Gaussianities of the local kind using unclustered tracers of the large scale structure. We show that, in the limit of low noise, zero bias tracers yield large improvement over standard methods, mostly due to vanishing sampling variance. We propose a simple technique to construct such a tracer, using environmental information obtained from the original sample and validate our method with $N$-body simulations. Our results indicate that σ $f$$loc\atop{NL}$ ≃ 1 can be reached using only information on a single tracer of sufficiently high number density.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

WE-DE-207B-04: Quantitative Contrast-Enhanced Spectral Mammography Based On Photon-Counting Detectors: A Feasibility Study

Purpose: To investigate the feasibility of accurate quantification of iodine mass thickness in contrast-enhanced spectral mammography. Methods: Experimental phantom studies were performed on a spectral mammography system based on Si strip photon-counting detectors. Dual-energy images were acquired using 40 kVp and a splitting energy of 34 keV with 3 mm Al pre-filtration. The initial calibration was done with glandular and adipose tissue equivalent phantoms of uniform thicknesses and iodine disk phantoms of various concentrations. A secondary calibration was carried out using the iodine signal obtained from the dual-energy decomposed images and the known background phantom thicknesses and densities. The iodine signal quantification method was validated using phantoms composed of a mixture of glandular and adipose materials, for various breast thicknesses and densities. Finally, the traditional dual-energy weighted subtraction method was also studied as a comparison. The measured iodine signal from both methods was compared to the known iodine concentrations of the disk phantoms to characterize the quantification accuracy. Results: There was good agreement between the iodine mass thicknesses measured using the proposed method and the known values. The root-mean-square (RMS) error was estimated to be 0.2 mg/cm2. The traditional weighted subtraction method also predicted a linear correlation between the measured signal and the known iodine mass thickness. However, the correlation slope and offset values were strongly dependent on the total breast thickness and density. Conclusion: The results of the current study suggest that iodine mass thickness can be accurately quantified with contrast-enhanced spectral mammography. The quantitative information can potentially improve the differentiation between benign and malignant legions. Grant funding from Philips Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Environmental Durability Assessment and Development of Subcomponent Test Methods for Advanced Materials in Marine Energy Applications

Marine energy developers are beginning to rely more heavily on advanced composite materials for their load-bearing structures. Understanding how these materials respond and degrade in harsh marine environments is a complex problem. Much research has been performed at smaller laboratory scales to understand the fundamental physical and chemical degradation mechanisms, but little structural testing research has been performed at larger scales to understand how these physical and chemical interactions scale and how they should be accounted for in the design process. The Advanced Materials project is a multilaboratory research collaboration that addresses these issues with the intention of reducing risks and barriers to marine energy developers wanting to adopt advanced composite materials. The National Laboratory of the Rockies has been playing a leading role in developing larger-scale testing infrastructure and test methods to validate complex numerical degradation models and standardize testing procedures to do so. This paper reviews past structural testing activities, how they have grown into current research activities, and how they will continue to evolve to directly address industry needs. This paper covers key research areas - large-scale water absorption and subsequent structural validation testing, qualification of bolted and adhesive connections, and combined submerged fatigue testing at increasing scales. It provides insights into the complex requirements for testing infrastructure and test method development to effectively qualify materials and certify marine energy structures for harsh marine environments. This research program paves the way for better guidance and standardization within the industry when adopting advanced composite materials.

16 TIDAL AND WAVE POWER↗
DOE OSTI2019

Chokepoints in Mechanical Coupling Associated with Allosteric Proteins: The Pyruvate Kinase Example

Although the critical role of allostery in controlling enzymatic processes is well appreciated, there is a current dearth in our understanding of its underlying mechanisms, including communication between binding sites. One potential key aspect of inter-site communication is the mechanical coupling between residues in a protein. Here, we introduce a graph-based computational approach to investigate the mechanical coupling between distant parts of a protein, highlighting effective pathways via which protein motion can transfer energy between sites. In this method, each residue is treated as a node on a weighted, undirected graph, where the edges are defined by locally correlated motions of those residues and weighted by the strength of the correlation. The method was validated against experimental data on allosteric regulation in the human liver pyruvate kinase as obtained from full-protein alanine-scanning mutagenesis (systematic mutation) studies. The method provides semi-quantitative information on the regulatory importance of specific structural elements. It is shown that these elements are key for the mechanical coupling between distant parts of the protein by providing effective pathway for energy transfer. It is also shown that, while there are a multitude of energy transfer pathways between distant parts of a protein, these pathways share a few common nodes that represent effective “chokepoints.”

Johnson, Lewis E.↗
DOE OSTI2019

Estimation of Turbulence Parameters from Scanning Lidars and in-situ Instrumentation in the Perdigao 2017 Campaign

The understanding of the sources, spatial distribution and temporal variability of turbulence in the atmospheric boundary layer (ABL) and improved simulation of its forcing processes require observations in a broad range of terrain types and atmospheric conditions. In this study, we estimate turbulence kinetic energy (TKE) dissipation rate using multiple techniques, including traditional in-situ measurements of sonic anemometers on meteorological towers, a hot-wire anemometer on a tethered lifting system (TLS), as well as remote-sensing retrievals from a vertically staring lidar and two lidars performing range-height indicator (RHI) scans. For the retrieval of e from the lidar RHI scans, we introduce a modification of the Doppler Spectral Width (DSW) method. This method uses spatio-temporal averages of the variance of the line-of-sight (LOS) velocity and the turbulent broadening of the Doppler backscatter spectrum. We validate this method against the observations from the other instruments, also including uncertainty estimations for each method. The synthesis of the results from all instruments enables a detailed analysis of the spatial and temporal variability of e across a valley between two parallel ridges at the Perdigao 2017 campaign. We find that the shear zones above and below nighttime low-level jets (LLJ) experience turbulence enhancements, as does the wake of a wind turbine (WT). We analyze in detail how e varies in the early morning of 14 June 2017, when the turbulence in the valley, approximately eleven rotor diameters downstream of the WT, is still significantly enhanced by the WT wake.

17 WIND ENERGY↗
DOE OSTI2018

Quantification of the Interaction Field in Arrays of Magnetic Nanowires from the Remanence Curves

A method is presented that allows quantifying the average value of the interaction field in arrays of magnetic nanowires from the field difference between the isothermal remanence (IRM) and the DC demagnetizing (DCD) remanence curves when the normalized magnetization is equal to one third. Arrays of magnetic nanowires of different diameters and packing fractions are used to experimentally test the method. The results have been compared with those obtained using the method based on the difference between the remanence coercivity fields and with a mean-field expression for the interaction field, providing a very good agreement and thus validating the method. Additionally, it is shown that both the position (m{sub 0}) and the shift along the magnetization axis of the intersection between the remanence curves with respect to the value of one third (δm = m{sub 0} − 1/3) provide qualitative information about the interaction field. The former indicates the type of interaction depending if the intersection is above (m{sub 0} > 1/3) or below (m{sub 0} < 1/3), which corresponds to a ferro or anti-ferro magnetic interaction, respectively. While for the latter, it is shown that the maximum deviation of the Delta-M plot from zero (ΔM{sub max}) corresponds to three times the shift (ΔM{sub max} = 3δm).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Environmental Durability Assessment and Development of Subcomponent Test Methods for Advanced Materials in Marine Energy Applications: Preprint

Marine energy developers are beginning to rely more heavily on advanced composite materials for their load bearing structures. Understanding how these materials respond and degrade in harsh marine environments is a complex problem. Much research has been performed at smaller laboratory scales to understand the fundamental physical and chemical degradation mechanisms, but little structural testing research has been performed at larger scales to understand how these physical and chemical interactions scale and how they should be accounted for in the design process. The Advanced Materials project is a multilaboratory research collaboration that has been addressing these issues with the intention of reducing risks and barriers to marine energy developers wanting to adopt advanced composite materials. The National Laboratory of the Rockies has been playing a leading role in developing larger scale testing infrastructure and test methods to validate complex numerical degradation models and standardize testing procedures to do so. This paper provides a review of past structural testing activities and how they have grown into current research activities and will continue to evolve into the future to directly address industry needs. This paper covers key research areas large-scale water absorption and subsequent structural validation testing, qualification of bolted and adhesive connections, and conducting combined submerged fatigue testing at increasing scales. This paper provides insights into the complex requirements for testing infrastructure and test method development to effectively qualify materials and certify marine energy structures for harsh marine environments. This research program paves the way for better guidance and standardization within the industry when adopting advanced composite materials.

16 TIDAL AND WAVE POWER↗