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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Characterization of Fe-6Si Soft Magnetic Alloy Produced by Laser-Directed Energy Deposition Additive Manufacturing

Abstract Commercial electrical steels, Fe-Si alloys with < 4 wt.% Si, are inexpensive and efficient materials for electrical power conversion. Further efficiency improvements require increasing the silicon concentration to 6 wt.%, at which point the material becomes brittle and difficult to form by conventional rolling and sheet fabrication methods. Additive manufacturing stands to overcome challenges with commercial manufacturing techniques by leveraging near-net-shape fabrication. The wide array of process conditions provides additive manufacturing with increased flexibility, enabling control over the microstructure and mechanical properties. This work explores the microstructures and magnetic properties of ring-shaped Fe-Si alloys produced using concentric and cross-hatch tool paths on a laser-directed energy deposition additive manufacturing system. Concentric-built samples exhibit elongated grain structures while cross-hatch-built samples comprise lower aspect ratio grain structures. Thermal finite element analysis simulations model the stress conditions produced by the different scan path geometries. Microhardness measurements probe the mechanical properties as a function of anneal temperature, providing a qualitative understanding of the intergranular defect density. Soft magnetic properties measured under quasistatic and AC conditions show frequency- and microstructure-dependent coercivity and permeability. Finally, analysis of the core loss quantifies how the build strategies and thermal treatments influence efficiency in electrical power conversion applications. Understanding the influences of scan path geometry and thermal treatment provides a pathway towards application of additively manufactured soft magnetic materials.

Adamczyk, Jesse M.↗
DOE OSTI2021

Characterisation of nano-assemblies inside mesopores using neutron scattering

Adsorption of molecular and nanoscale matter in mesoporous materials is important in filtration and chromatography as well as membrane processes. However, the morphology and distribution of self-assembled structures of adsorbate formed within nanoconfined environments is largely unknown. Small Angle Neutron Scattering (SANS) with porous matrix matching the neutron scattering length density of the solvent has the potential to provide detailed information on the self-assemblies formed in pore spaces. However, analysis of such SANS profiles remains a challenge. In this study, we extend the SANS analysis method previously developed by Findenegg and co-workers to include interparticle correlations, providing a qualitative characterisation of the adsorption state of surfactants and nanoparticles in the cylindrical pores of silica nanomaterials. We find that the pore filling fraction and the self-assembled state of the adsorbate governs the scattering profile. We apply the model to two materials namely, triethyleneglycol monohexyl ether (C 6 E 3 ) surfactant and gold nanoparticles adsorbed in SBA-15 mesoporous silica. In contrast to the C 6 E 3 system, Bragg scattering dominates the diffuse scattering in gold nanoparticle system, which we attribute to the immobile internal structure of the nanoparticles. In conclusion, this new SANS analysis method has potential to elucidate structures of soft matter nanoassemblies inside mesopores.

74 ATOMIC AND MOLECULAR PHYSICS↗
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↗
DOE OSTI2020

Modeling Flexible Generator Operating Regions via Chance- constrained Stochastic Unit Commitment

Here, we introduce a novel chance-constrained stochastic unit commitment model to address uncertainty in renewables' production uncertainty in power systems operation. For most thermal generators,underlying technical constraints that are universally treated as "hard" by deterministic unit commitment models are in fact based on engineering judgments, such that system operators can periodically request operation outside these limits in non-nominal situations, e.g., to ensure reliability. We incorporate this practical consideration into a chance-constrained stochastic unit commitment model, specifically by in-frequently allowing minor deviations from the minimum and maximum thermal generator power output levels. We demonstrate that an extensive form of our model is computationally tractable for medium-sized power systems given modest numbers of scenarios for renewables' production. We show that the model is able to potentially save significant annual production costs by allowing infrequent and controlled violation of the traditionally hard bounds imposed on thermal generator production limits. Finally, we conduct a sensitivity analysis of optimal solutions to our model under two restricted regimes and observe similar qualitative results.

42 ENGINEERING↗
DOE OSTI2022

The effects of microstructure on deformation twinning in Mg WE43

The interplay between microstructure and deformation twinning in a WE43-T6 Mg alloy under uniaxial compression was investigated using a combination of scanning electron microscopy with digital image correlation (SEM-DIC) and crystal plasticity finite element (CPFE) simulation. To improve understanding of the statistical characteristics of deformation twin formation, microstructural effects were characterized in over 1000 grains through metrics including the nominal Schmid Factor, grain size, geometric compatibility factor (m'), residual Burgers vector, and the strain accommodated by neighboring grains. There was a strong correlation between the nominal Schmid Factor and both twin activation and variant selection, but this was not fully deterministic. Deformation twinning also exhibited a strong dependence on existing slip and twinning in the neighboring grain and on the m' value. Within the range of grain sizes present in this condition, grain size was determined to have minimal effect on deformation twinning. Finally, statistical analysis of CPFE simulations was used to further investigate microstructural effects on twinning, and qualitatively captured the effect of the nominal Schmid Factor.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Autonomous adaptive data acquisition for scanning hyperspectral imaging

Non-invasive and label-free spectral microscopy (spectromicroscopy) techniques can provide quantitative biochemical information complementary to genomic sequencing, transcriptomic profiling, and proteomic analyses. However, spectromicroscopy techniques generate high-dimensional data; acquisition of a single spectral image can range from tens of minutes to hours, depending on the desired spatial resolution and the image size. This substantially limits the timescales of observable transient biological processes. To address this challenge and move spectromicroscopy towards efficient real-time spatiochemical imaging, we developed a grid-less autonomous adaptive sampling method. Our method substantially decreases image acquisition time while increasing sampling density in regions of steeper physico-chemical gradients. When implemented with scanning Fourier Transform infrared spectromicroscopy experiments, this grid-less adaptive sampling approach outperformed standard uniform grid sampling in a two-component chemical model system and in a complex biological sample, Caenorhabditis elegans. We quantitatively and qualitatively assess the efficiency of data acquisition using performance metrics and multivariate infrared spectral analysis, respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Azimuthal magnetic field distribution in gas-puff Z -pinch implosions with and without external magnetic stabilization

An experimental study of the magnetic field distribution in gas-puff Z pinches with and without a preembedded axial magnetic field (B z0 ) is presented. Spatially resolved, time-gated spectroscopic measurements were made at the Weizmann Institute of Science on a 300 kA, 1.6 μs rise time pulsed-power driver. The radial distribution of the azimuthal magnetic field, B θ , during the implosion, with and without a preembedded axial magnetic field of B z0 = 0.26 T, was measured using Zeeman polarization spectroscopy. The spectroscopic measurements of B θ were consistent with the corresponding values of B θ inferred from current measurements made with a B-dot probe. One-dimensional magnetohydrodynamic simulations, performed with the code TRAC-II, showed agreement with the experimentally measured implosion trajectory, and qualitatively reproduced the experimentally measured radial B θ profiles during the implosion when B z0 = 0.26 T was applied. Simulation results of the radial profile of B θ without a preembedded axial magnetic field did not qualitatively match experimental results due to magneto-Rayleigh-Taylor (MRT) instabilities. Furthermore, our analysis emphasizes the importance of MRT instability mitigation when studying the magnetic field and current distributions in Z pinches. Discrepancies of the simulation results with experiment are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Evaluating factors influencing infrasonic signal detection and automatic processing performance utilizing a regional network

Physical and deployment factors that influence infrasound signal detection and assess automatic detection performance for a regional infrasound network of arrays in the Western U.S. are explored using signatures of ground truth (GT) explosions (yields). Despite these repeated known sources, published infrasound event bulletins contain few GT events. Arrays are primarily distributed toward the south-southeast and south-southwest at distances between 84 and 458 km of the source with one array offering azimuthal resolution toward the northeast. Events occurred throughout the spring, summer, and fall of 2012 with the majority occurring during the summer months. Depending upon the array, automatic detection, which utilizes the adaptive F-detector successfully, identifies between 14% and 80% of the GT events, whereas a subsequent analyst review increases successful detection to 24%–90%. Combined background noise quantification, atmospheric propagation analyses, and comparison of spectral amplitudes determine the mechanisms that contribute to missed detections across the network. This analysis provides an estimate of detector performance across the network, as well as a qualitative assessment of conditions that impact infrasound monitoring capabilities. Finally, the mechanisms that lead to missed detections at individual arrays contribute to network-level estimates of detection capabilities and provide a basis for deployment decisions for regional infrasound arrays in areas of interest.

58 GEOSCIENCES↗
DOE OSTI2023

Quantitative Small-Signal Stability Analysis of Grid-Forming Inverters in Large-Scale Power Systems

In this paper, the challenges induced by the integration of inverter-based resources (IBRs) into existing power systems are discussed. Although the grid-forming (GFM) control has been used to enhance system performance in multiple sections of electric power systems (e.g., transmission and distribution systems, microgrids, among others), the coupling mechanism between GFM inverter and various types of other components in modern power systems should be clearly explored. Existing analyses mainly focus on qualitative investigations that verify the effectiveness of deploying GFM inverters for stability enhancement. A holistic system-level quantitative analysis is still missing to verify the detailed benefits of GFM inverters and their interactions with other generation units (e.g., synchronous generators [SGs], conventional grid-following [GFL] inverters, synchronous condensers, among others). To fill in the technical gaps, a holistic small-signal model of the entire system with both rotating generation units and IBRs is established along with the customized power flow analysis for varying steady-state operating points. Further, a quantitative method is proposed to identify the impacts of GFM inverters on system performance with an emphasis on a quantifiable stability margin and a complete modal analysis at the system level. Finally, a realistic test system is used to verify the proposed approach.

grid-following↗
DOE OSTI2023

Growth and Saturation of the Electron Drift Instability in a Crossed Field Plasma

The linear growth and nonlinear energy transfer of the electron drift instability (EDI) are experimentally measured in the plume of a low-temperature, Hall effect discharge. A frequency-based bispectral analysis technique applied to fast ion density fluctuation measurements shows a growth rate function that is qualitatively similar to predictions from the linear instability dispersion relation, but an order of magnitude smaller. Calculation of the nonlinear transfer function indicates multiple three-wave interactions between high-frequency resonances of the instability in addition to an inverse energy cascade toward lower-frequency modes. Furthermore, these results are discussed in the context of recent theoretical, numerical, and experimental efforts on the EDI in Hall effect discharges and how the EDI may impact anomalous cross field transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonplanar effects in simulations of laser-driven ejecta microjet experiments

Recent experiments of laser-driven ejecta microjets performed at OMEGA 60 reveal tortuous jets whereby the jets appear to deviate from their initial trajectory as they travel in vacuum. To understand these data, we perform two dimensional numerical simulations, considering different target thicknesses, pressures, and models of the drive conditions. In particular, modeling the finite laser spot size appears essential in reproducing qualitatively the non-planar shock observed in the experiment. Simulations capture jet deflection by accounting for a slight misalignment of the laser pointing with respect to the groove axis along with spatial variation of the laser pulse intensity. The principal physical mechanism appears to be that lateral momentum is imparted by release waves arising from the non-planar drive. The induced off-axis velocity is small in comparison to the jet axial velocity but integrates into a pronounced deflection over the course of the experiment. The analysis of jet axial and lateral mass distributions is found to be reproduced reasonably by the simulations. Simulated radiographs are in qualitative agreement with the experiments, though their differences point to potential shortcomings in modeling strictly three-dimensional experiments using two-dimensional hydrodynamic simulations. The simple analysis is able to explain part of the observed discrepancy in simulated vs experimental jet masses.

42 ENGINEERING↗
DOE OSTI2022

Overview of the TJ-II stellarator research programme towards model validation in fusion plasmas

TJ-II stellarator results on modelling and validation of plasma flow asymmetries due to on-surface potential variations, plasma fuelling physics, Alfvén eigenmodes (AEs) control and stability, the interplay between turbulence and neoclassical (NC) mechanisms and liquid metals are reported. Regarding the validation of the neoclassically predicted potential asymmetries, its impact on the radial electric field along the flux surface has been successfully validated against Doppler reflectometry measurements. Research on the physics and modelling of plasma core fuelling with pellets and tracer encapsulated solid pellet injection has shown that, although post-injection particle radial redistributions can be understood qualitatively from NC mechanisms, turbulence and fluctuations are strongly affected during the ablation process. Advanced analysis tools based on transfer entropy have shown that radial electric fields do not only affect the radial turbulence correlation length but are also capable of reducing the propagation of turbulence from the edge into the scrape-off layer. Direct experimental observation of long range correlated structures show that zonal flow structures are ubiquitous in the whole plasma cross-section in the TJ-II stellarator. Alfvénic activity control strategies using ECRH and ECCD as well as the relation between zonal structures and AEs are reported. Finally, the behaviour of liquid metals exposed to hot and cold plasmas in a capillary porous system container was investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Assessment of the Pan-Arctic Accelerated Rate of Sea Ice Decline in CMIP6 Historical Simulations

Abstract Arctic sea ice loss in response to a warming climate is assessed in 42 models participating in phase 6 of the Coupled Model Intercomparison Project (CMIP6). Sea ice observations show a significant acceleration in the rate of decline commencing near the turn of the twenty-first century. It is our assertion that state-of-the-art climate models should qualitatively reflect this accelerated trend within the limitations of internal variability and observational uncertainty. Our analysis shows that individual CMIP6 simulations of sea ice depict a wide range of model spread on biases and anomaly trends both across models and among their ensemble members. While the CMIP6 multimodel mean captures the observed sea ice area (SIA) decline relatively well, an individual model’s ability to represent the acceleration in sea ice decline remains a challenge. Seventeen (40%) out of 42 CMIP6 models and 37 (13%) out of the total 286 ensemble members reasonably capture the observed trends and acceleration in SIA decline. In addition, a larger ensemble size appears to increase the odds for a model to include at least one ensemble member skillfully representing the accelerated SIA trends. Simulations of sea ice volume (SIV) show much larger spread and uncertainty than SIA; however, due to limited availability of sea ice thickness data, these are not as well constrained by observations. Finally, we find that models with more ocean heat transport simulate larger sea ice declines, which suggests an emergent constraint in CMIP6 ensembles. This relationship points to the need for better understanding and modeling of ice–ocean interactions, especially with respect to frazil ice growth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Measurement Uncertainty in One-of-a-kind Experiments

A golden standard in science is to repeat an experimental measurement multiple times and calculate the measured value with experimental uncertainty by following well developed statistical procedures. For various reasons – cost, technical difficulty, international treaties, ethics of dealing with human or animal subjects, ecology - many important experiments and observations can not be repeated. Astronomy, earthquakes, hurricanes produce data from one-of-a-kind events. When information is not available in any other way, it should not be dismissed as qualitative, anecdotal evidence only. Analyzed in a mathematically rigorous way, it produces quantitative experimental data. Analysis of data from one-of-a-kind event differs from analysis of repeated experiments’ data. For repeated experiments, the experimental error includes a range of true values generated by repetitions of the experiment, and measurement uncertainty caused by detectors. They are independent. Repetitions of any experiment, as similar as achievable, always have built-in differences resulting in a range of the true values rather than in a single value. Measurement uncertainty depends on the measurement system only. Digital measurements have very small uncertainty, frequently smaller than the range of true experimental values resulting from built-in differences in the experiment repetitions. When data from one–of–a kind experiment are analyzed, only the measurement uncertainty can be reported.

42 ENGINEERING↗
DOE OSTI2026

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗
DOE OSTI2024

Modern chemical graph theory

Abstract Graph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists' analysis and model development toolkit. The encoding of both experimental and simulation data is discussed at various levels of granularity of information. This is followed by a discussion of the two major classes of graph theoretical analyses: identifying connectivity patterns and partitioning methods. Measures, metrics, descriptors, and topological indices are then introduced with an emphasis upon enhancing interpretability and incorporation into physical models. Challenging data cases are described that include strategies for studying time dependence. Throughout, we incorporate recent advancements in computer science and applied mathematics that are propelling chemical graph theory into new domains of chemical study. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Structure and Mechanism > Computational Materials Science Structure and Mechanism > Molecular Structures

Leite, Leonardo S. G.↗
DOE OSTI2023

Near-infrared chemical abundances of stars in the Sculptor dwarf galaxy

Owing to the recent identification of major substructures in our Milky Way (MW), the astronomical community has started to reevaluate the importance of dissolved and existing dwarf galaxies. In this work, we investigate up to 13 elements in 43 giant stars of the Sculptor dwarf galaxy (Scl) using high-signal-to-noise-ratio near-infrared (NIR) APOGEE spectra. Thanks to the strong feature lines in the NIR, we were able to determine high-resolution O, Si, and Al abundances for a large group of sample stars for the first time in Scl. By comparing the [α/Fe] (i.e., O, Mg, Si, Ca, and Ti) of the stars in Scl, Sagittarius, and the MW, we confirm the general trend that less massive galaxies tend to show lower [α/Fe]. The low [Al/Fe] (~ - 0.5) in Scl demonstrates the value of this ratio as a discriminator with which to identify stars born in dwarf galaxies (from MW field stars). A chemical-evolution model suggests that Scl has a top-light initial mass function (IMF), with a high-mass IMF power index of ~ - 2.7, and a minimum Type Ia supernovae delay time of ~100 Myr. Furthermore, a linear regression analysis indicates a negative radial metallicity gradient and positive radial gradients for [Mg/Fe] and [Ca/Fe], in qualitative agreement with the outside-in formation scenario.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing↗