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DOE OSTI2021

Improvements to the Powder Processing of near-Final Shape alnico Magnets

Alnico permanent magnets (PMs), a recent PM system of interest as an attractive rare earth-free PM alternative, have advantageous high operating temperature and magnetic saturation with the potential for utilization in electric machines, e.g. interior-PM motors found in electric vehicles, if current directional solidification methods can be replaced by a true mass production approach. Recently, two unique alnico compositions, termed Full-Co and Co-lean, with improved coercivity, were gas atomized, compression molded, and vacuum sintered (4h at 1240°C) to high densities of 97.8% and 99.3%, respectively. However, the Co-lean remained fine grained isotropic magnets and the Full-Co grains were not textured, lowering magnetic strength in spite of attempts to grow large textured grains by a stress-biased solid state grain alignment method to convert them to high energy anisotropic magnets. It was hypothesized that oxidation during de-binding in air left many prior particle boundary oxides within the sintered microstructure that hindered grain growth and texturing during the stress-biased texturing procedure and prevented the desired abnormal grain growth (AGG). Here we explored a vacuum de-binding step that was linked (in-place) to vacuum sintering and found that the Co-lean exhibited faster uniform grain growth that doubled the average grain size (40 μm to 80 μm). Linked vacuum de-binding and sintering of Full-Co produced some AGG after only 1 h of 1240°C sintering. A new direction for promoting AGG (and stress-biased texturing) in alnico is being explored that utilizes a fundamental analysis of systems with second phase particles that either inhibit or boost grain growth. This effort explores the influence of vacuum de-binding linked to a series of lower sintering temperatures at a fixed time (4h) to see if oxide particle size and volume fraction can be changed to promote AGG conditions in alnico. Surprising qualitative results indicate that AGG may be promoted for vacuum sintering at less than 1200°C.

Rinko, Emily↗

NASA NTRS2019

Considerations for Femtosecond Laser Electronic Excitation Tagging in High-Speed Flows

Femtosecond laser electronic excitation tagging (FLEET) is an unseeded method for molecular tagging which offers valuable opportunities for measurement of high-speed (transonic, supersonic or hypersonic) flows. The unique nature of high-speed testing demands certain performance from FLEET such as satisfactory signal-to-noise ratio (SNR) at depressed static conditions (i.e., low temperatures, pressures and densities), wide dynamic range for velocity determination (especially single-shot), and measurements with acceptable accuracy and precision. This dissertation strives to evaluate FLEET in those regards and provide strategies to maximize the method's capabilities. A zero-dimensional kinetics model in nitrogen explains FLEET signal changes with pressure/density and/or temperature in terms of plasma-chemical reactions. Poorly known rate coefficients are tuned by comparing model output to measurements, with temporal agreement up to several hundred nanoseconds. Modeling reveals that initial signal peaks at reduced density because of slowed temporal evolution (and decay) of excited populations. Low temperatures enhance signal by enlarging cluster ion populations which contribute to excited species via electron-ion dissociative recombination. A purpose-built free jet facility provides experimental validation of the kinetics model and assesses FLEET velocimetry in low temperature and pressure/density conditions. Signal, lifetime, accuracy and precision results are obtained from unheated subsonic through Mach 4.0 operation of the facility, with best results noted. FLEET measurements of a sweeping jet (SWJ) actuator in compressible operation showcase its advantages in a highly unsteady jet containing subsonic through supersonic velocities. FLEET velocimetry is performed in the device's internal and external flow fields, with the latter compared to hot-wire anemometry. Internal measurements reveal the absence of shockwaves theorized to occur at high pressure ratios. Simultaneous qualitative measurements of compressible jet mixing are shown as a proof-of-concept. Overall, the work demonstrates that previous understanding of SWJ incompressible operation readily extends into the compressible realm. Practical aspects of performing FLEET velocimetry are detailed, along with strategies for improving measurement quality. Determination of a fundamental precision in nitrogen and air is attempted. Experiments show that increasing time delay and/or SNR improves velocimetry precision. A comparison of five camera systems indicates sensors with larger pixels capture higher SNR data and produce more precise results.

FLEET↗

NASA NTRS1998

Scaling Properties of Particle Density Fields Formed in Simulated Turbulent Flows

Direct numerical simulations (DNS) of particle concentrations in fully developed 3D turbulence were carried out in order to study the nonuniform structure of the particle density field. Three steady-state turbulent fluid fields with Taylor microscale Reynolds numbers (Re(sub lambda)) of 40, 80 and 140 were generated by solving the Navier-Stokes equations with pseudospectral methods. Large scale forcing was used to drive the turbulence and maintain temporal stationarity. The response of the particles to the fluid was parameterized by the particle Stokes number St, defined as the ratio of the particle's stopping time to the mean period of eddies on the Kolmogorov scale (eta). In this paper, we consider only passive particles optimally coupled to these eddies (St approx. = 1) because of their tendency to concentrate more than particles with lesser or greater St values. The trajectories of up to 70 million particles were tracked in the equilibrated turbulent flows until the particle concentration field reached a statistically stationary state. The nonuniform structure of the concentration fields was characterized by the multifractal singularity spectrum, f(alpha), derived from measures obtained after binning particles into cells ranging from 2(eta) to 15(eta) in size. We observed strong systematic variations of f(alpha) across this scale range in all three simulations and conclude that the particle concentration field is not statistically self similar across the scale range explored. However, spectra obtained at the 2(eta), 4(eta), and 8(eta) scales of each flow case were found to be qualitatively similar. This result suggests that the local structure of the particle concentration field may be flow-Independent. The singularity spectra found for 2n-sized cells were used to predict concentration distributions in good agreement with those obtained directly from the particle data. This Singularity spectrum has a shape similar to the analogous spectrum derived for the inertial-range energy dissipation fields of experimental turbulent flows at Re(sub lambda) = 110 and 1100. Based on this agreement, and the expectation that both dissipation and particle concentration are controlled by the same cascade process, we hypothesize that singularity spectra similar to the ones found in this work provide a good characterization of the spatially averaged statistical properties of preferentially concentrated particles in higher Re(sub lambda) turbulent flows.

Hogan, Robert C.↗

DOE OSTI2023

Mass measurement of 27 P to constrain type-I x-ray burst models and validate the isobaric multiplet mass equation for the $A = 27, T = \frac{3}{2}$ isospin quartet

Background: Light curves are the primary observable of type-I x-ray bursts. Computational x-ray burst models must match simulations to observed light curves. Most of the error in simulated curves comes from uncertainties in rp process reaction rates, which can be reduced via precision mass measurements of neutron-deficient isotopes in the rp process path. Purpose: Perform a precise atomic mass measurement of 27 P. Use this new measurement to calculate rp process reaction rates and input these rates into an x-ray burst model to reduce simulated light curve uncertainty. Use the mass measurement of 27 P to validate the isobaric multiplet mass equation (IMME) for the A = 27 T = 3/2 isospin quartet which 27 P belongs to. Method: High-precision Penning trap mass spectrometry utilizing the time-of-flight ion cyclotron resonance technique was used to determine the atomic mass of 27 P. The MESA code (Modules for Experiments in Stellar Astrophysics) was then used to simulate x-ray bursts using a one-dimensional multizone model to produce updated light curves. Results: The mass excess of 27 P was measured to be –670.7(6) keV, a 14-fold precision increase over the mass reported in the 2020 Atomic Mass Evaluation (AME2020). The 26 Si(p, $γ$) 27 P– 27 P($γ$, p) 26 Si rate equilibrium has been determined to a higher precision based on the precision mass measurement of 27 P. x-ray burst light curves were produced with the MESA code using the new reaction rates. Changes in the mass of 27 P seem to have minimal effect on light curves, even in burster systems tailored to maximize impact. Conclusion: The mass of 27 P does not play a significant role in x-ray burst light curves. It is important to understand that more advanced models do not just provide more precise results, but often qualitatively different ones. This result brings us a step closer to being able to extract stellar parameters from individual x-ray burst observations. In addition, the IMME has been validated for the A = 27, T = 3/2 quartet. The normal quadratic form of the IMME using the latest data yields a reduced $χ$ 2 of 2.9. Finally, the cubic term required to generate an exact fit to the latest data matches theoretical attempts to predict this term.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Temperature-dependent mechanical properties and crystal plasticity parameters for additively manufactured Haynes-214 alloy: Experiments and numerical modeling

Our experimental mechanical testing data demonstrated that the additively manufactured (AM) laser powder bed fusion (L-PBF) Haynes-214 alloy exhibits non-linear mechanical properties as the temperature rises from ambient to 870 °C. Crystal plasticity (CP) simulations provide an effective approach to gaining deeper insights into microstructure-property linkages under thermomechanical loading. This method can reduce the need for costly high-temperature mechanical testing while accounting for the effects of crystallographic texture and grain morphology on the mechanical behavior of AM materials. However, calibrating a CP model is time-consuming because individual simulations are computationally expensive and hundreds (or more) of iterations over parameter sets may be required. To address this issue, we have designed a machine learning-differential evolution (ML-DE) CP framework that can accurately interpolate the tensile properties of AM L-PBF Haynes-214 alloy across a wide temperature range from ambient to 870 °C, with minimal reliance on experimental data. The framework uses electron backscatter diffraction (EBSD) measurements to generate statistically equivalent microstructural volume elements to serve as inputs to the CP modeling framework. Stress–strain curves were generated from 1000 CP simulations, which serve as the training data set for the three ML regression algorithms explored: linear, extra-trees, and multi-layer perceptron. These three regression models were independently evaluated to compare their efficiency and identify the most suitable algorithm for the given problem. Results revealed that the extra-trees ML regressor outperforms the other models in both qualitative and quantitative aspects with an R 2 of 0.98. Subsequently, the differential evolution optimization approach is employed to calibrate the ML-based CP material parameters with experimental results obtained at various temperatures. Finally, temperature-dependent CP material parameters are formulated. The effectiveness and efficiency of the designed framework are validated through comparison with experimental results, demonstrating a high degree of agreement. These calibrated parametric constitutive equations enable further use of the CP model to study the deformation behavior of this alloy under a wide range of thermo-mechanical loading conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Tackling the Challenges in Scene Graph Generation With Local-to-Global Interactions

In this work, we seek new insights into the underlying challenges of the scene graph generation (SGG) task. Quantitative and qualitative analysis of the visual genome (VG) dataset implies: 1) ambiguity: even if interobject relationship contains the same object (or predicate), they may not be visually or semantically similar; 2) asymmetry: despite the nature of the relationship that embodied the direction, it was not well addressed in previous studies; and 3) higher-order contexts: leveraging the identities of certain graph elements can help generate accurate scene graphs. Motivated by the analysis, we design a novel SGG framework, Local-to-global interaction networks (LOGINs). Locally, interactions extract the essence between three instances of subject, object, and background, while baking direction awareness into the network by explicitly constraining the input order of subject and object. Globally, interactions encode the contexts between every graph component (i.e., nodes and edges). Finally, Attract and Repel loss is utilized to fine-tune the distribution of predicate embeddings. By design, our framework enables predicting the scene graph in a bottom-up manner, leveraging the possible complementariness. To quantify how much LOGIN is aware of relational direction, a new diagnostic task called Bidirectional Relationship Classification (BRC) is also proposed. Overall, experimental results demonstrate that LOGIN can successfully distinguish relational direction than existing methods (in BRC task), while showing state-of-the-art results on the VG benchmark (in SGG task).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

The Uranium-Containing and Thorium-Containing Anions Studied by Photoelectron Spectroscopy

An in-depth knowledge of actinide chemistry is fundamental to many aspects of nuclear science and technology, including the synthesis and processing of materials and the remediation of waste disposal sites. Among the actinides, the chemical bonding behaviors of actinium and thorium resemble those of the transition metals; the 5f-electrons of protactinium, uranium, neptunium, and plutonium often play important roles in their bonding; and among the still heavier elements, their bonding tends to mimic the lanthanide elements in terms of electron shielding and their f-electron contributions. Bonding that involves 5f-electrons, however, is especially important, in part because of the significance of uranium and plutonium, but also because these elements are among the few where f-electron participation in bonding is relatively common. This work focused on studying uranium-containing and thorium-containing anions in the gas phase using negative ion photoelectron spectroscopy. Since this technique directly probed valence electrons, it was uniquely positioned to address open questions regarding molecular bonding and electron configurations. A particularly important issue concerned how bonding in actinide-containing molecules was affected by modifications to their actinide atoms’ environment, i.e., due to their interaction with ligands. A closely related question was how actinide atoms’ suborbitals were qualitatively reordered and their energies quantitatively shifted as a result of their ligated environments. These were especially relevant issues in regard to uranium due to it having multiple possible oxidation states (OS) and the potential for 5f electron participation in bonding. The effects of ligands on oxidation states and 5f-orbital energies in uranium bonding was expected to be pronounced. Both ligands and excess electrons were seen as probes of actinide atoms within actinide-containing molecules. Our strategy for advancing knowledge of chemical bonding in the actinide-containing species utilized the synergy between experiments and theory, where in some cases experimental results validated theory and where in others computational results assisted in interpreting experiments. Calculations on actinide systems are terrifically challenging due to large spin-orbit interactions, relativistic effects, and just the sheer number of electrons involved. Even in the simplest species, e.g., U and U2, the most sophisticated, modern calculations carried out by the most experienced theorists often only approximate experimentally-measured values, such as electron affinities. For theory to provide confident predictions that can be used to solve real problems it needed an iterative and ultimately corrective mechanism by which its methods can develop further. Experiments can be used to identify when theory has failed; whereupon the subsequent process of using the experiment-theory interplay can be used to find the cause of the failure. Upon fixing it in one case, different test species can be proposed and studied by the experiment-theory combination to determine whether the problem has been corrected. Thus, experiments not only measure the values of molecular properties, they also provide navigational 3 beacons that keep computations off the reefs in an otherwise dark sea with few reference points. Experimental measurements in the actinide field are not only important, they are in actuality essential to computational progress. While it was not always possible to compare the theoreticallydetermined quantity of interest directly with the same experimentally-measured observable, it was usually possible to compare consequential properties that are both calculable and measurable. In the work completed here electron affinities and electronic state spacings were often sensitive consequential parameters. Reasonable agreement between measured and computational values signaled that a calculation that was very likely to be on-track. We had established collaborative relationships with five computational groups, all of which have expertise in computational actinide chemistry. Their PI’s are L. Cheng, D. Dixon, L. Gagliardi, K. Peterson, and B. Vlaisavljevich. Our close interaction with our theory partners led to us suggesting systems to them and them to us. This reciprocal interaction between our experimental and their computational results was among the most important strengths of this work and was a thread woven throughout. Even though anion photoelectron spectroscopic studies are conducted on anions, much of the information that they provide, pertains to the electronic structure of the neutral counterparts of those anions; among these are electron affinities and electronically excited state spacings. Our experimental tools included several specialized ion sources for forming the anionic species of interest, a mass spectrometer for identifying and mass-selecting them, and an anion photoelectron spectrometer for determining their electron affinities (EA) and characterizing the electronic states of the selected anions’ neutral counterparts. Anion photoelectron spectroscopy is conducted by crossing a mass-selected beam of anions with a fixed-frequency laser beam and energy-analyzing the resultant photodetached electrons. The photodetachment process is governed by the energyconserving relationship: hν = EBE + EKE, where hν is the photon’s energy, EBE is the electron binding (photodetachment transition) energy, and EKE is the electron’s kinetic energy. In our apparatus mass-selection is accomplished via time-of-flight mass spectrometry (TOF-MS), electron energy analysis is achieved with either a magnetic bottle or by velocity mapped imaging. Photodetachment of electrons from anions is implemented via either Nd:YAG or excimer lasers. The photodetachment transition energy, i.e., the EBE, between the ground vibrational and electronic state of an anion and the ground vibrational and electronic state of that anion’s neutral counterpart is the adiabatic electron affinity (EA) of that neutral molecule. Likewise, photodetachment transitions between the ground vibrational and electronic state of an anion and the various electronically-excited states of that anion’s corresponding neutral map the electronic spectrum of that neutral species, i.e., the spectral spacings in the photoelectron spectrum are a mirror image of the neutral’s electronic spectrum. It was, of course, crucial to be able to form the anionic species of interest. There, we had a particularly broad field of anion sources from which to choose. These included several variants of pulsed laser vaporization (LV), laser photoemission, infrared desorption plus photoemission, pulsed arc discharge (PACIS), electrospray ionization (ESI), and Rydberg electron transfer (RET). Each of these anion sources were readily combined with, i.e., connected to, the anion photoelectron spectroscopic portion of our apparatus as described above. Among the sources that utilize lasers, visible light for LV sources as well as IR for desorption sources are provided by Nd:YAG lasers. Ultraviolet photons are provided by both Nd:YAG and excimer lasers, whereas the excitation wavelengths for RET experiments come from two Nd:YAG-pumped dye lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Beyond fragmented dopant dynamics in quantum spin lattices: Robust localization and non-Gaussian diffusion

The motion of dopants in magnetic spin lattices has received tremendous attention for at least four decades due to its connection to high-temperature superconductivity. Despite these efforts, we lack a complete understanding of their behavior, especially out of the equilibrium and at nonzero temperatures. In this paper, we take a significant step towards a much deeper understanding based on state-of-the-art matrix-product-state calculations. In particular, we investigate the nonequilibrium dynamics of a dopant in two-leg 𝑡−𝐽 ladders with antiferromagnetic XXZ spin interactions. In the Ising limit, we find that the dopant is localized for all investigated nonzero temperatures due to an emergent disordered potential, with a localization length controlled by the underlying correlation length of the spin lattice, which increases exponentially with decreasing temperature. The dopant, hereby, only delocalizes asymptotically in the zero temperature limit. This greatly generalizes the localization effect discovered recently in Hilbert space fragmented models [Phys. Rev. Res. 6, 023325 (2024), SciPost Phys. Core 7, 054 (2024)]. In the presence of spin-exchange processes at rate 𝛼, the dopant diffuses with a diffusion coefficient, 𝐷 ℎ , depending nonmonotonically on 𝛼. It initially increases linearly as 𝐷 ℎ ∝ 𝛼 for 𝛼 ≪ 1 before dropping off as 𝛼 −1 for 𝛼 > 1. Moreover, we show that the underlying spin dynamics at infinite temperature behaves qualitatively the same, albeit with important quantitative differences. We substantiate these findings by showing that the dynamics features self-similar scaling behavior, which strongly deviates from the Gaussian behavior of regular diffusion, especially for weak spin exchange. Finally, we show that the diffusion coefficient 𝐷 ℎ follows an Arrhenius relation at high temperatures, whereby it is exponentially suppressed upon cooling.

Anomalous diffusion↗

NASA NTRS1986

Historical data and analysis for the first five years of KSC STS payload processing

General and specific quantitative and qualitative results were identified from a study of actual operational experience while processing 186 science, applications, and commercial payloads for the first 5 years of Space Transportation System (STS) operations at the National Aeronautics and Space Administration's (NASA) John F. Kennedy Space Center (KSC). All non-Department of Defense payloads from STS-2 through STS-33 were part of the study. Historical data and cumulative program experiences from key personnel were used extensively. Emphasis was placed on various program planning and events that affected KSC processing, payload experiences and improvements, payload hardware condition after arrival, services to customers, and the impact of STS operations and delays. From these initial considerations, operational drivers were identified, data for selected processing parameters collected and analyzed, processing criteria and options determined, and STS payload results and conclusions reached. The study showed a significant reduction in time and effort needed by STS customers and KSC to process a wide variety of payload configurations. Also of significance is the fact that even the simplest payloads required more processing resources than were initially assumed. The success to date of payload integration, testing, and mission operations, however, indicates the soundness of the approach taken and the methods used.

Ragusa, J. M.↗

NASA NTRS1996

Multi-Dimensional Measurements of Combustion Species in Flame Tube and Sector Gas Turbine Combustors

The higher temperature and pressure cycles of future aviation gas turbine combustors challenge designers to produce combustors that minimize their environmental impact while maintaining high operation efficiency. The development of low emissions combustors includes the reduction of unburned hydrocarbons, smoke, and particulates, as well as the reduction of oxides of nitrogen (NO(x)). In order to better understand and control the mechanisms that produce emissions, tools are needed to aid the development of combustor hardware. Current methods of measuring species within gas turbine combustors use extractive sampling of combustion gases to determine major species concentrations and to infer the bulk flame temperature. These methods cannot be used to measure unstable combustion products and have poor spatial and temporal resolution. The intrusive nature of gas sampling may also disturb the flow structure within a combustor. Planar laser-induced fluorescence (PLIF) is an optical technique for the measurement of combustion species. In addition to its non-intrusive nature, PLIF offers these advantages over gas sampling: high spatial resolution, high temporal resolution, the ability to measure unstable species, and the potential to measure combustion temperature. This thesis considers PLIF for in-situ visualization of combustion species as a tool for the design and evaluation of gas turbine combustor subcomponents. This work constitutes the first application of PLIF to the severe environment found in liquid-fueled, aviation gas turbine combustors. Technical and applied challenges are discussed. PLIF of OH was used to observe the flame structure within the post flame zone of a flame tube combustor, and within the flame zone of a sector combustor, for a variety of fuel injector configurations. OH was selected for measurement because it is a major combustion intermediate, playing a key role in the chemistry of combustion, and because its presence within the flame zone can serve as a qualitative marker of flame temperature. All images were taken in the environment of actual engines during flight, using actual jet fuel. The results of the PLIF study led directly to the modification of a fuel injector.

Hicks, Yolanda Royce↗

NASA NTRS1997

Micromechanical Modeling of Woven Metal Matrix Composites

This report presents the results of an extensive micromechanical modeling effort for woven metal matrix composites. The model is employed to predict the mechanical response of 8-harness (8H) satin weave carbon/copper (C/Cu) composites. Experimental mechanical results for this novel high thermal conductivity material were recently reported by Bednarcyk et al. along with preliminary model results. The micromechanics model developed herein is based on an embedded approach. A micromechanics model for the local (micro-scale) behavior of the woven composite, the original method of cells (Aboudi), is embedded in a global (macro-scale) micromechanics model (the three-dimensional generalized method of cells (GMC-3D) (Aboudi). This approach allows representation of true repeating unit cells for woven metal matrix composites via GMC-3D, and representation of local effects, such as matrix plasticity, yarn porosity, and imperfect fiber-matrix bonding. In addition, the equations of GMC-3D were reformulated to significantly reduce the number of unknown quantities that characterize the deformation fields at the microlevel in order to make possible the analysis of actual microstructures of woven composites. The resulting micromechanical model (WCGMC) provides an intermediate level of geometric representation, versatility, and computational efficiency with respect to previous analytical and numerical models for woven composites, but surpasses all previous modeling work by allowing the mechanical response of a woven metal matrix composite, with an elastoplastic matrix, to be examined for the first time. WCGMC is employed to examine the effects of composite microstructure, porosity, residual stresses, and imperfect fiber-matrix bonding on the predicted mechanical response of 8H satin C/Cu. The previously reported experimental results are summarized, and the model predictions are compared to monotonic and cyclic tensile and shear test data. By considering appropriate levels of porosity, residual stresses, and imperfect fiber-matrix debonding, reasonably good qualitative and quantitative correlation is achieved between model and experiment.

Bednarcyk, Brett A.↗

NASA NTRS2021

Experimental and Analytical Characterization of Fluted-Core Sandwich Composite Structures

As composite materials continue to gain wider acceptance for aerospace primary structures, experimental characterization and analysis methods must evolve, especially if new or underutilized composite structural concepts are to be successfully implemented. One such potentially underutilized concept is the fluted-core sandwich composite, which consists of facesheets separated by angled web members, and has a number of potential advantages over traditional-core (honeycomb, foam, etc.) sandwich composites. However, fluted-core sandwich composites also exhibit a behaviors not seen with traditional-core sandwich composites. For example, stable local buckling that can lead to material failure can occur in the facesheets between webs or in the webs themselves. Additionally, in the direction perpendicular to the webs, the effective transverse-shear stiffness is largely determined by the bending stiffnesses of the facesheets and the webs and is generally much lower than in the direction parallel to the webs. These local buckling and transverse-shear behaviors can have a large influence on material failure and global buckling, respectively. Thus, it is important to accurately characterize and model these behaviors. In this report, a series of experiments designed to elicit some of these fluted-core sandwich composite structural responses is discussed and the results are compared with results from a previously developed finite element analysis approach; qualitative and quantitative agreement between the experiment and analysis is shown.

Marc R. Schultz↗

NASA NTRS2022

Chapter 10 - Remote Sensing Measurements of Aerosol Properties

Satellite instruments have proven especially capable at monitoring the quantity of airborne particles in columns of atmosphere, globally. This chapter describes the principles of satellite measurements and retrieval algorithms, and surveys current instruments and their capabilities. We outline the issues associated with retrieval algorithms, such as surface characterization and aerosol proximity to clouds, and the challenges with interpretation of the results. The relationship between measured aerosol properties and climate-relevant aerosol properties simulated in models is outlined, as well as how measurements are used to evaluate models. Most space-based aerosol instruments are passive sensors that measure reflected sunlight at multiple wavelengths, some at multiple viewing angles. A few are active sensors that send out their own laser light and measure the returned signal. Except when clouds are present, the excess amount of light scattered back to space, beyond that expected from the surface and atmospheric gas, is attributed to aerosol. Satellite measurements are used in many ways in aerosol research. They often provide the only method for monitoring hazardous phenomena such as major wildfire and volcanic eruption plumes, especially in remote areas. Stable, long-term, near-global-scale satellite data records make it possible to identify regional and global aerosol trends. Aerosol radiative effects on climate can be quantified on a near-global scale and used to estimate the strength of aerosol–radiation and aerosol–cloud interactions as well as to evaluate climate model simulations of these interactions. Aerosol-type mapping from satellite imagery is helpful for source attribution, model validation, and to constrain particle light-absorption properties that are essential for radiative forcing calculations. The range of aerosol properties retrieved from satellite observations has grown considerably since the first global estimates of aerosol optical depth (τ a) over ocean were made in the late 1970s. Methods for retrieving particle size and light-absorption properties were explored in the 1990s using multispectral, multi-angle observations, and polarization in visible and near-infrared wavelengths. Sensitivity to particle light absorption, primarily from black or brown carbon content, improved with the inclusion of UV channels, and sensitivity to very thin aerosol layers in the upper troposphere and lower stratosphere was advanced with the use of limb-sounding instruments and active sensors. There are limitations to every measurement technique, including satellite aerosol remote sensing. For wide-swath, passive instruments, aerosol retrievals near clouds can present substantial challenges as far as 15 km away due to cloud-scattered light contaminating the signal. In nearly all cases, retrievals over bright snow and ice surfaces are precluded because surface reflectance uncertainties can overwhelm the aerosol signal. Similarly, meteorological cloud is identified and masked out where possible. Data from passive sensors also lack vertical resolution except those that view toward the limb or where multi-angle imagery is acquired over plumes from wildfires, erupting volcanoes, and wind-blown dust. Yet, passive sensors provide vastly more coverage than the active instruments that mitigate these issues. Particle microphysical information is qualitative from all remote sensing techniques, relying on proxies to infer particle composition, hygroscopicity, and the amount of light-absorbing material. Further, particles smaller than about 200 nm diameter cannot be distinguished from atmospheric gas molecules with remote sensing, which hinders studies of cloud condensation nuclei and their effects on clouds. Most satellite instruments dedicated to aerosol observations are in low-Earth, near-polar, sun-synchronous orbits, which means they cross the equator at the same local time each day. Most are set on cycles that repeat approximately every 16 days, which makes it difficult to monitor aerosol evolution locally. Geostationary satellites make it possible to observe changes occurring from minutes to hours over regions up to 8000 km in size, but lack coverage of high latitudes, and often provide more limited constraints on aerosol properties. Ground-truth data are vital for satellite aerosol-retrieval validation. The AErosol RObotic NETwork (AERONET) of sun photometers was created in 1993 and has become an established global network of over 350 instruments for validating satellite measurements. The network, as well as global networks of ground-based lidars, solar flux radiometers and other sun photometers, are widely used for evaluating global satellite retrievals and model simulations. NASA's Earth Observing System (EOS) program beginning in 1999 led to improvements in reliability, spatial resolution, and spectral resolution (and hence, to improved particle size discrimination and light absorption properties). Satellite payloads include advanced broad-swath and multi-angle imagers, along with the first space-based active sensor focused largely on long-term aerosol monitoring. Since about 2002, Europe's SENTINEL and operational meteorological satellite fleets are also providing sustained aerosol observations, with planned continuation until at least 2030. Satellite remote sensing instruments offer valuable data for evaluating aerosol representations in global climate models. They have been used to assess aerosol optical and physical properties, trends and distributions, and are applied increasingly as direct model constraints in data assimilation to create global aerosol reanalysis products. Aerosol optical depth is the most common quantity adopted for routine model evaluation, including multiwavelength data to loosely constrain particle-size distributions. These evaluations of multiple models have revealed general biases in their regional aerosol amounts and seasonal patterns of transport and removal. Although satellite measurements have near-global coverage, substantial errors can be introduced into the model observation comparison unless attention is paid to spatial and temporal collocation, cloud screening, subgrid-scale variability, and measurement uncertainties that vary with retrieval conditions.

aerosol properties↗

DOE OSTI2023

Simulation studies of a full-ring, CZT SPECT system for whole-body imaging of 99m Tc and 177 Lu

Single photon emission computed tomography (SPECT) is an imaging modality that has demonstrated its utility in a number of clinical indications. Despite this progress, a high sensitivity, high spatial resolution, multi-tracer SPECT with a large field of view suitable for whole-body imaging of a broad range of radiotracers for theranostics is not available. With the goal of filling this technological gap, we have designed a cadmium zinc telluride (CZT) full-ring SPECT scanner instrumented with a broad-energy tungsten collimator. The final purpose is to provide a multi-tracer solution for brain and whole-body imaging. Our static SPECT does not rely on the dual- and the triple-head rotational SPECT standard paradigm, enabling a larger effective area in each scan to increase the sensitivity. We provide a demonstration of the performance of our design using a realistic model of our detector with simulated body-sized phantoms filled with 99m Tc and 177 Lu. Our SPECT design can resolve 7.9 mm rods for 99m Tc (140 keV) and 9.5 mm for 177 Lu (208 keV) in a hot-rod Derenzo phantom with a 3-min exposure and reach an image contrast of 78% for 99m Tc and 57% for 177 Lu using the NEMA IQ phantom with a 6-min exposure. Our modified scatter correction shows an improved contrast-recovery ratio compared to a standard correction. In this paper, we demonstrate the good performance of our design for whole-body imaging purposes. This adds to our previous demonstration of improved qualitative and quantitative 99m Tc imaging of brain perfusion and 123 I imaging of dopamine transport with respect to state-of-the-art NaI dual-head cameras. We show that our design provides similar IQ and contrast to the commercial full-ring SPECT VERITON for 99m Tc. Regarding 177 Lu imaging of the 208 keV emissions, our design provides similar contrast to that of other state-of-the-art SPECTs with a significant reduction in exposure. In conclusion, the high sensitivity and extended energy range up to 250 keV makes our SPECT design a promising alternative for clinical imaging and theranostics of emerging radionuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Trimethyloxonium-mediated methylation strategies for the rapid and simultaneous analysis of chlorinated phenols in various soils by electron impact gas chromatography–mass spectrometry

Abstract The efficient methylation of a panel of five industrial and environmentally-relevant chlorophenols (CPs) employing trimethyloxonium tetrafluoroborate (TMO) for their qualitative detection and identification by electron impact gas chromatography–mass spectrometry (EI-GC–MS) is presented. The protocol’s execution is simple and smoothly converts the phenols into their O-methylated counterparts conveniently at ambient temperature. The efficiency of two versions of the protocol was successfully tested in their ability to simultaneously derivatize five CPs (2-chlorophenol, 2,4-dichlorophenol, 2,4,6-trichlorophenol, pentachlorophenol and triclosan) in six distinct, separate soil matrices (Nebraska EPA standard soil, Virginia Type A soil, Ottawa sand, Baker sand, Silt and Georgia EPA standard soil) when present at low levels (~ 10 μgg −1 ). The first version involves the direct derivatization of the spiked soils with the methylating salt while the second one involves an initial soil extraction step of the CPs followed by methylation. The MDL values for each methylated CP were determined and lower values were found (4.1–13.2 ng . mL −1 ) for both sand matrices (Ottawa and Baker) as well as for the Georgia EPA standard soil, while larger values (8.2–21.8 ng . mL −1 ) were found for the Virginia Type soil, Nebraska EPA standard soil and Silt. The presented protocol offers a safer and more practical alternative to the universally employed diazomethane method and can be readily applicable to matrices other than soils. Furthermore, the protocols described herein may find applicability to the methylation of other analytes bearing acidic protons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

The Analysis and Design of Low Boom Configurations Using CFD and Numerical Optimization Techniques

The use of computational fluid dynamics (CFD) for the analysis of sonic booms generated by aircraft has been shown to increase the accuracy and reliability of predictions. CFD takes into account important three-dimensional and nonlinear effects that are generally neglected by modified linear theory (MLT) methods. Up to the present time, CFD methods have been primarily used for analysis or prediction. Some investigators have used CFD to impact the design of low boom configurations using trial and error methods. One investigator developed a hybrid design method using a combination of Modified Linear Theory (e.g. F-functions) and CFD to provide equivalent area due to lift driven by a numerical optimizer to redesign or modify an existing configuration to achieve a shaped sonic boom signature. A three-dimensional design methodology has not yet been developed that completely uses nonlinear methods or CFD. Constrained numerical optimization techniques have existed for some time. Many of these methods use gradients to search for the minimum of a specified objective function subject to a variety of design variable bounds, linear and nonlinear constraints. Gradient based design optimization methods require the determination of the objective function gradients with respect to each of the design variables. These optimization methods are efficient and work well if the gradients can be obtained analytically. If analytical gradients are not available, the objective gradients or derivatives with respect to the design variables must be obtained numerically. To obtain numerical gradients, say, for 10 design variables, might require anywhere from 10 to 20 objective function evaluations. Typically, 5-10 global iterations of the optimizer are required to minimize the objective function. In terms of using CFD as a design optimization tool, the numerical evaluation of gradients can require anywhere from 100 to 200 CFD computations per design for only 10 design variables. If one CFD computation requires an hour of computational time on a Cray computer, one can see that the use of constrained numerical optimization quickly becomes impractical.Hence, in order to practically couple a numerical design optimization technique with a CFD method, the CFD method must be extremely efficient with running times on the order of only minutes. The CFD Euler code developed under NASA sponsorship and referred to as MIM3D-SB for the most part fulfills these efficiency requirements. Analysis of wing- body configurations can be computed in a matter of a few minutes. The present study will concentrate on the feasibility of the use of this CFD code in conjunction with a numerical design optimization technique for the sonic boom reduction of candidate HSCT configurations. A preliminary supersonic aircraft design system has been established that utilizes the numerical design optimization code NPSOL developed at Stanford University coupled with the supersonic NUM3D-SB CFD code. Many questions still need to be answered in regard to using CFD and numerical optimizers as design tools. There are difficulties related to both the CFD codes and the numerical optimizers. Numerical optimizers can converge to a local minima rather than a global minima. This behavior is largely a function of the initial guess in the design space. The optimizer also is searching for a minimum of the function in terms of its derivative without any regard to the actual function value. Numerically (i.e. CFD) determined gradients can also generate spurious numerical local minima. In addition, for the sonic boom problem, grid fineness will also determine the accuracy of the final design solution. Design optimization methods work well on problems defined by continuous objective functions. The sonic boom signature design problem is not necessarily defined by a continuous objective function. The signature can have a variety of shapes; i.e. from N-wave to multiple shocks. The far-field or ground signature may not transition continuously from one shape to another and hence, may exhibit discontinuous behavior. This is also a source of difficulty in using design optimization methods.In the following sections, several low boom and one reference aircraft configuration will be analyzed to predict their sonic boom signature characteristics. Modifications to some of these designs will also be presented to demonstrate the feasibility of using CFD as a design tool and to demonstrate the feasibility of designing shaped sonic boom signatures. Design modifications to some configurations will be presented to demonstrate the feasibility of achieving shaped signatures with reduced levels and not necessarily to represent realistic or aerodynamically efficient design modifications. Fuselage volume or camber are used as design variables in order to have a minimal effect on the primary wing aerodynamics. The paper will also seek to demonstrate whether a hybrid or ramped signature is feasible to achieve. For the low-boom configurations, the CFD predicted signatures will be compared qualitatively to their MLT design signatures.

Siclari, Michael J.↗

DOE OSTI2026

All Systems Go: Regional Collaborations for Scaling AEC Innovation: Preprint

The high and rising cost of preserving and delivering housing in the U.S. requires changes to existing practices of finance, design, and construction. Innovative methods such as industrialized construction could offer the means to address housing undersupply while reducing delivery costs, operational costs and material waste in the building industry, but they face challenges to success and to scale. Simultaneously, construction and cleantech innovators themselves face skepticism from the traditional entrepreneurial ecosystem such as incubators and accelerators while attempting to navigate systems level challenges. To respond to this need, various public and private sector stakeholders have launched initiatives to support innovative companies. These include nonprofits such as Terner Labs and Ivory Innovations offering curated programming to architecture, engineering, and construction (AEC) startups; housing developers in Minnesota and California "bundling" multiple projects together to reach economies of scale with a consistent project team; public and private sector entities developing "catalogues" of pre-approved home designs in the U.S. and Canada. This exploratory paper documents several of these emerging ecosystem-development efforts to support innovative housing approaches, characterizing them by leading stakeholder and intervention strategy based on publicly available information. The paper finds that these initiatives share similar high level goals but vary in implementation, reflecting different stakeholder priorities, regional market and policy dynamics, and housing typologies. The early stage of these efforts offer limited data for comparing actual outcomes, but the paper highlights common qualitative themes and identifies opportunities for further research and potential coordination among these efforts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Synchrotron radiography of Richtmyer–Meshkov instability driven by exploding wire arrays

We present a new technique for the investigation of shock-driven hydrodynamic phenomena in gases, liquids, and solids in arbitrary geometries. The technique consists of a pulsed power-driven resistive wire array explosion in combination with multi-MHz synchrotron radiography. Compared to commonly used techniques, it offers multiple advantages: (1) the shockwave geometry can be shaped to the requirements of the experiment, (2) the pressure (P > 300 MPa) generated by the exploding wires enables the use of liquid and solid hydrodynamic targets with well-characterized initial conditions (ICs), (3) the multi-MHz radiography enables data acquisition to occur within a single experiment, eliminating uncertainties regarding repeatability of the ICs and subsequent dynamics, and (4) the radiographic measurements enable estimation of compression ratios from the x-ray attenuation. In addition, the use of a synchrotron x-ray source allows the hydrodynamic samples to be volumetrically characterized at a high spatial resolution with synchrotron-based microtomography. This experimental technique is demonstrated by performing a planar Richtmyer–Meshkov instability (RMI) experiment on an aerogel–water interface characterized by Atwood number A0∼−0.8 and Mach number M∼1.5. The qualitative and quantitative features of the experiment are discussed, including the energy deposition into the exploding wires, shockwave generation, compression of the interface, startup phase of the instability, and asymptotic growth consistent with Richtmyer's impulsive theory. Additional effects unique to liquids and solids—such as cavitation bubbles caused by rarefaction flows or initial jetting due to small perturbations—are observed. It is also demonstrated that the technique is not shape dependent by driving a cylindrically convergent RMI experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗