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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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NASA NTRS1991

Airborne lidar research

The planetary boundary layer (PBL) is the lowest layer of the atmosphere in contact with the Earth's surface. It plays an important role in atmospheric circulation and dynamics by influencing surface fluxes of moisture, heat, and momentum. The PBL is characterized by its turbulence structure. Organized convection within the PBL may generate gravity waves within the free troposphere. These waves can propagate vertically, modifying global circulation. Remote sensing of the PBL using a downward-looking lidar is providing new insight into dynamic processes of this important layer and its connection with wave generation. An airborne lidar is an ideal tool to study the PBL. The lidar is installed on the NASA Electra aircraft. It consists of a frequency doubled Nd:YAG laser aligned with a 40 cm diameter telescope. As the laser beam propagates downward from the aircraft toward the surface, it is scattered by the aerosols and molecules in the atmosphere. Generally, there is a sharp gradient of aerosol scattering associated with the PBL top, with high aerosol scattering from within the PBL, and generally very low scattering from the free atmosphere above. It is this gradient in aerosol scattering that is used to visualize the structure of the PBL. A small portion of the scattered radiation is collected by the telescope, filtered, detected by a photomultiplier, and digitized at 100 nsec rate. The horizontal resolution is typically around 13 m, using a 10 Hz laser and a nominal aircraft moves, the resolution of features in the atmosphere below the aircraft is about 15 x 13 m. Results from several studies are presented and discussed.

Melfi, S. Harvey↗
DOE OSTI2026

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗
DOE OSTI2025

The meV-resolved Inelastic X-ray Scattering Beamline at NSLS-II: Design and Performance

The ultrahigh resolution inelastic X-ray scattering (IXS) beamline at NSLS-II is designed and built to achieve sub-meV resolution at a moderate energy of 9.13 keV for IXS experiments with high momentum resolution and high spectral contrast. The key instrument is a novel spectrometer featuring a new type of analyzer optics, which combines post-sample collimation with angular dispersive crystal optics. As the first user instrument of its kind, the spectrometer has demonstrated unique research capabilities in exploring low momentum transfer (Q), THz dynamics in soft material systems characterized by mesoscopic heterogeneity and complexity, such as liquid crystals and bio-membranes. Ongoing efforts to improve performance since the start of user operations have resulted in a state-of-the-art energy resolution in routine operations of less than 1.4 meV, with sharp Gaussian-like tails, making it a premier IXS spectrometer for studying the dynamics of soft materials, while also delivering competitive performance for investigating phonon dynamics in hard condensed matter systems, including a broad range of quantum materials.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Neural Network Molecular Dynamics at Scale

Neural network molecular dynamics (NNMD) simulations could revolutionize atomistic modeling of materials with quantum-mechanical accuracy at a fraction of computational cost. However, popular NNMD frameworks are generally implemented for a single computing node, and conventional energy-based NN models still suffer from large time-to-solution (T2S), prohibiting the application of NNMD to challenging materials simulations encompassing large spatiotemporal scales. Consequently, no leadership-scale NNMD simulation has thus far been reported. Here, we present a scalable parallel NNMD software (RXMD-NN) based on our scalable reactive molecular dynamics simulation engine named RXMD. RXMD-NN has achieved high scalability up to 786,432 IBM BlueGene/Q cores involving 1.7 billion atoms. Furthermore, we have achieved 4.6-fold reduction of T2S by using a novel network that directly predicts atomic forces from feature vectors. Reduced T2S has for the first time allowed the study of large-scale off-stoichiometry effect in a widely used phase change material, Ge 2 Se 2 Te 5 , thereby resolving its "firstsharp diffraction peak mystery".

fist sharp diffraction peak↗
NASA NTRS1999

Theory of Dust Voids in Plasmas

Dusty plasmas in a gas discharge often feature a stable void, i.e., a dust-free region inside the dust cloud. This occurs under conditions relevant to both plasma processing discharges and plasma crystal experiments. The void results from a balance of the electrostatic and ion drag forces on a dust particle. The ion drag force is driven by a flow of ions outward from an ionization source and toward the surrounding dust cloud, which has a negative space charge. In equilibrium the force balance for dust particles requires that the boundary with the dust cloud be sharp, provided that the particles are cold and monodispersive. Numerical solutions of the one-dimensional nonlinear fluid equations are carried out including dust charging and dust-neutral collisions, but not ion-neutral collisions. The regions of parameter space that allow stable void equilibria are identified. There is a minimum ionization rate that can sustain a void. Spatial profiles of plasma parameters in the void are reported. In the absence of ion-neutral collisions, the ion flow enters the dust cloud's edge at Mach number M = 1. Phase diagrams for expanding or contracting voids reveal a stationary point corresponding to a single stable equilibrium void size, provided the ionization rate is constant. Large voids contract and small voids expand until they attain this stationary void size. On the other hand, if the ionization rate is not constant, the void size can oscillate. Results are compared to recent laboratory and microgravity experiments.

Goree, J.↗
DOE OSTI2018

Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N 2

Isotopic fractionation in the photodissociation of N 2 could explain the considerable variation in the 14 N/ 15 N ratio in different regions of our galaxy. We previously proposed that such an isotope effect is due to coupling of photoexcited bound valence and Rydberg electronic states in the frequency range where there is strong state mixing. We here identify features of the role of the mass in the dynamics through a time-dependent quantum-mechanical simulation. The photoexcitation of N 2 is by an ultrashort pulse so that the process has a sharply defined origin in time and so that we can monitor the isolated molecule dynamics in time. An ultrafast pulse is necessarily broad in frequency and spans several excited electronic states. Each excited molecule is therefore not in a given electronic state but in a superposition state. A short time after excitation, there is a fairly sharp onset of a mass-dependent large population transfer when wave packets on two different electronic states in the same molecule overlap. This coherent overlap of the wave packets on different electronic states in the region of strong coupling allows an effective transfer of population that is very mass dependent. The extent of the transfer depends on the product of the populations on the two different electronic states and on their relative phase. It is as if two molecules collide but the process occurs within one molecule, a molecule that is simultaneously in both states. An analytical toy model recovers the (strong) mass and energy dependence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Geographic applications of ERTS-A imagery to rural landscape change

There are no author-identified significant results in this report. The study area, centered on Knoxville, Tennessee, encompasses nearly 20,000 square miles. The Knoxville Test Site, an 11 x 21 mile area over the city of Knoxville and the western portion of Knox County, has been chosen for the analysis of landscape change detection associated with urban growth. The second area, the Cumberland Plateau Test Site, exhibits landscape change through forest alterations and landform disturbances associated with strip mining in the area and was so chosen for its sharp contrasts in physical and human phenomena as well as its change dynamics. Accomplishments since reception of ERTS-1 imagery include: (1) basic cataloging and classifying of the data into a filling system; (2) a densitometer analysis; (3) first look analysis; and (4) preparation of results from the project. Examples of all four bands of the MSS have been received and analyses reveal distinctive positive and negative reactions. Band 5 has been found to be best for landscape analysis of contrasts between urban and rural landscapes, and band 7 for topographic features and water surfaces. Preliminary results are summarized.

Rehder, J. B.↗
NASA NTRS2010

Orbiter BLT Flight Experiment Wind Tunnel Simulations: Nearfield Flowfield Imaging and Surface Thermography

This paper reports a series of wind tunnel tests simulating the near-field behavior of the Space Shuttle Orbiter Boundary Layer Transition Detailed Test Objective (BLT DTO) flight experiment. Hypersonic flow over a flat plate with an attached BLT DTO-shaped trip was tested in a Mach 10 wind tunnel. The sharp-leading-edge flat plate was oriented at an angle of 20 degrees with respect to the freestream flow, resulting in post-shock edge Mach number of approximately 4. The flowfield was visualized using nitric oxide (NO) planar laser-induced fluorescence (PLIF). Flow visualizations were performed at 10 Hz using a wide-field of view and high-resolution NO PLIF system. A lower spatial resolution and smaller field of view NO PLIF system visualized the flow at 500 kHz, which was fast enough to resolve unsteady flow features. At the lowest Reynolds number studied, the flow was observed to be laminar and mostly steady. At the highest Reynolds number, flow visualizations showed streak instabilities generated immediately downstream of the trip. These instabilities transitioned to unsteady periodic and spatially irregular structures downstream. Quantitative surface heating imagery was obtained using the Temperature Sensitive Paint (TSP) technique. Comparisons between the PLIF flow visualizations and TSP heating measurements show a strong correlation between flow patterns and surface heating trends.

Danehy, Paul M.↗
NASA NTRS1976

Photogeology of the multi-ringed crater Haldane in Mare Smythii

Haldane is a 40 km multi-ringed crater that occurs along with similar structures in a belt within the Smythii Basin. It is the best developed structurally of all craters in this belt and displays examples of all materials units of Mare Smythii. In addition to the outer rim, the crater displays a sharp-crested, nearly complete inner ring, and a complex central peak of round hills that are 300-600 m higher than the floor. There are two fracture systems associated with Haldane, one annular and the other radial. The annular fractures seem to control the deposition of mare basalts and dark mantle units in and around the crater. Topographic evidence and flow scarps indicate that the crater was the source of mare basalts and associated dark mantle, rather than its being flooded by such deposits. There are numerous indications that most of the features in and around Haldane are attributable to volcano-tectonic modifications of an original crater-form.

Wolfe, R. W.↗
NASA NTRS2000

Volcanic Signatures in Estimates of Stratospheric Aerosol Size, Distribution Width, Surface Area, and Volume Deduced from Global Satellite-Based Observations

Volcanic signatures in the stratospheric aerosol layer are revealed by two independent techniques which retrieve aerosol information from global satellite-based observations of particulate extinction. Both techniques combine the 4-wavelength Stratospheric Aerosol and Gas Experiment (SAGE) II extinction measurements (0.385 <= lambda <= 1.02 microns) with the 7.96 micron and 12.82 micron extinction measurements from the Cryogenic Limb Array Etalon Spectrometer (CLAES) instrument. The algorithms use the SAGE II/CLAES composite extinction spectra in month-latitude-altitude bins to retrieve values and uncertainties of particle effective radius R(sub eff), surface area S, volume V and size distribution width sigma(sub R). The first technique is a multi-wavelength Look-Up-Table (LUT) algorithm which retrieves values and uncertainties of R(sub eff) by comparing ratios of extinctions from SAGE II and CLAES (e.g., E(sub lambda)/E(sub 1.02) to pre-computed extinction ratios which are based on a range of unimodal lognormal size distributions. The pre-computed ratios are presented as a function of R(sub eff) for a given sigma(sub g); thus the comparisons establish the range of R(sub eff) consistent with the measured spectra for that sigma(sub g). The fact that no solutions are found for certain sigma(sub g) values provides information on the acceptable range of sigma(sub g), which is found to evolve in response to volcanic injections and removal periods. Analogous comparisons using absolute extinction spectra and error bars establish the range of S and V. The second technique is a Parameter Search Technique (PST) which estimates R(sub eff) and sigma(sub g) within a month-latitude-altitude bin by minimizing the chi-squared values obtained by comparing the SAGE II/CLAES extinction spectra and error bars with spectra calculated by varying the lognormal fitting parameters: R(sub eff), sigma(sub g), and the total number of particles N(sub 0). For both techniques, possible biases in retrieved-parameters caused by assuming a unimodal functional form are removed using correction factors computed from representative in situ measurements of bimodal size distributions. Some interesting features revealed by the LUT and PST retrievals include: (1) Increases in S and V (but not R(sub eff)) after the Ruiz and Kelut injections, (2) Increases in S, V, R(sub eff) after Pinatubo, (3) Post-Pinatubo increases in S, V, and R(sub eff) that are more rapid in the tropics than elsewhere, (4) Mid-latitude post-Pinatubo increases in R(sub eff) that lag increases in S and V, (5) S and V returning to pre-Pinatubo values sooner than R(sub eff) does, (6) Sharp increases in sigma(sub g), after Pinatubo and slight increases in sigma(sub g) after Ruiz, Etna, Kelut, Spurr and Rabaul, and (7) Gradual declines in the heights at which R(sub eff), S and V peak after Pinatubo.

Bauman, J. J.↗
NASA NTRS1997

Analysis of strontium metabolism in humans on the basis of the Techa river data

Age and sex features of strontium metabolism have been analyzed on studies of the population residing on the banks of the Techa river which was contaminated by fission products during the years 1949-1956. Measurements of 90Sr body burden have been performed since 1974 using a whole-body counter, and these have made it possible to estimate age-specific long-term retention and elimination rates for men and women. Regarding the retention that correlated with the respective maturation ages, distinct sex differences have been observed for adolescents, whereas only postmenopausal women showed a sharp increase of their elimination rates. There were no differences concerning the reproductive ages. Our experimental findings have a clear physiological interpretation and can be used to develop metabolic models for bone-seeking radionuclides.

NASA Discipline Radiation Health↗
DOE OSTI2025

Splitting regions and shrinking islands from higher point constraints

We study constraints from higher-point amplitudes on 2 → 2 scattering in the context of effective field theory (EFT) using the perturbative numerical S-matrix bootstrap. Specifically, we investigate the class of weakly coupled EFTs with amplitudes that obey the hidden zero and split conditions that are known to hold both for Tr(Φ 3 ) theory and for certain string tree amplitudes, including at 4-point the beta function. Requiring the splitting condition for the 5-point amplitude not only fixes nearly all its contact terms, but it also imposes non-linear constraints among the 4-point EFT Wilson coefficients. When included in the bootstrap, the resulting allowed region consistent with positivity is no longer convex but is restricted to a smaller non-convex region — which has a sharp corner near the string beta function! Assuming the absence of an infinite spin tower at the mass gap, the allowed region bifurcates into a trivial region (with states only above a chosen cutoff) and an island that continues to shrink around the string as more constraints are included in the bootstrap. The numerics indicate that in the absence of single-mass infinite spin towers the string beta function is the unique 4-point amplitude compatible with hidden zero and the 5-point splitting constraints. The analysis provides a prototype example for how features of higher-point amplitudes constrain the bootstrap of 4-point amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Excess free volume and structural properties of inert gas condensation synthesized nanoparticles based CuZr nanoglasses

Abstract Nanoglass (NG) as a new structure-tunable material has been investigated using both experiments and computational modeling. Experimentally, inert gas condensation (IGC) is commonly employed to prepare metallic glass (MG) nanoparticles that are consolidated using cold compression to generate an NG. In computational modeling, various methods have been used to generate NGs. However, due to the high computational cost involved, heretofore modeling investigations have not followed the experimental synthesis route. In this work, we use molecular dynamics simulations to generate an NG model by consolidating IGC-prepared Cu 64 Zr 36 nanoparticles following a workflow similar to that of experiments. The resulting structure is compared with those of NGs produced following two alternative procedures previously used: direct generation employing Voronoi tessellation and consolidation of spherical nanoparticles carved from an MG sample. We focus on the characterization of the excess free volume and the Voronoi polyhedral statistics in order to identify and quantify contrasting features of the glass-glass interfaces in the three NG samples prepared using distinct methods. Results indicate that glass-glass interfaces in IGC-based NGs are thicker and display higher structural contrast with their parent MG structure. Nanoparticle-based methods display excess free volume exceeding 4%, in agreement with experiments. IGC-prepared nanoparticles, which display Cu segregation to their surfaces, generate the highest glass-glass interface excess free volume levels and the largest relative interface volume with excess free volume higher than 3%. Voronoi polyhedral analysis indicates a sharp drop in the full icosahedral motif fraction in the glass-glass interfaces in nanoparticle-based NG as compared to their parent MG.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Filament geometry control in extrusion-based additive manufacturing of concrete: The good, the bad and the ugly

Control of filament geometry in extrusion based additive manufacturing is essential to guarantee the desired quality of the printing process and the final product. Depending on the selected process parameters, material strategy and geometrical features, the printing process can however be susceptible to filament tearing or filament buckling. In this work, 2D and 3D CFD simulations have been used to map the influence of all these parameters in the infinite brick regime of 3D concrete printing processes. Analytical derivations of a tearing factor and buckling factor are presented. The use of these analytical tools is then illustrated, by studying variations in the printing process, such as changes in velocities, nozzle height, or material properties. Finally, the risk of both filament tearing and buckling of a single filament when printing sharp turns is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Classical discrete time crystals

The spontaneous breaking of time-translation symmetry in periodically driven quantum systems leads to a new phase of matter: the discrete time crystal (DTC). This phase exhibits collective subharmonic oscillations that depend upon an interplay of non-equilibrium driving, many-body interactions and the breakdown of ergodicity. However, subharmonic responses are also a well-known feature of classical dynamical systems ranging from predator–prey models to Faraday waves and a.c.-driven charge density waves. This raises the question of whether these classical phenomena display the same rigidity characteristic of a quantum DTC. In this work, we explore this question in the context of periodically driven Hamiltonian dynamics coupled to a finite-temperature bath, which provides both friction and, crucially, noise. Focusing on one-dimensional chains, where in equilibrium any transition would be forbidden at finite temperature, we provide evidence that the combination of noise and interactions drives a sharp, first-order dynamical phase transition between a discrete time-translation invariant phase and an activated classical discrete time crystal (CDTC) in which time-translation symmetry is broken out to exponentially long timescales. Power-law correlations are present along a first-order line, which terminates at a critical point. We analyse the transition by mapping it to the locked-to-sliding transition of a d.c.-driven charge density wave. To conclude, building upon results from the field of probabilistic cellular automata, we conjecture the existence of classical time crystals with true long-range order, where time-translation symmetry is broken out to infinite times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

Diagenetic Crystal Growth in the Murray Formation, Gale Crater, Mars

The Pahrump region (Gale Crater, Mars) marks a critical transition between sedimentary environments dominated by alluvial-to-fluvial materials associated with the Gale crater rim, and depositional environments fundamentally linked to the crater's central mound, Mount Sharp. At Pahrump, the Murray formation consists of an approximately 14-meter thick succession dominated by massive to finely laminated mudstone with occasional interbeds of cross-bedded sandstone, and is best interpreted as a dominantly lacustrine environment containing tongues of prograding fluvial material. Murray formation mudstones contain abundant evidence for early diagenetic mineral precipitation and its subsequent removal by later diagenetic processes. Lenticular mineral growth is particularly common within lacustrine mudstone deposits at the Pahrump locality. High-resolution MAHLI images taken by the Curiosity rover permit detailed morphological and spatial analysis of these features. Millimeter-scale lenticular features occur in massive to well-laminated mudstone lithologies and are interpreted as pseudomorphs after calcium sulfate. The distribution and orientation of lenticular features suggests deposition at or near the sediment-water (or sediment-air) interface. Retention of chemical signals similar to host rock suggests that original precipitation was likely poikilotopic, incorporating substantial amounts of the primary matrix. Although poikilotopic crystal growth is common in burial environments, it also occurs during early diagenetic crystal growth within unlithified sediment where high rates of crystal growth are common. Loss of original calcium sulfate mineralogy suggests dissolution by mildly acidic, later-diagenetic fluids. As with lenticular voids observed at Meridiani by the Opportunity Rover, these features indicate that calcium sulfate deposition may have been widespread on early Mars; dissolution of depositional and early diagenetic minerals is a likely source for both calcium and sulfate ion-enrichment in burial fluids that precipitated in ubiquitous late-stage hydrofracture veins

Kah, L. C.↗
NASA NTRS1994

Volcano morphometry and volume scaling on Venus

A broad variety of volcanic edifices have been observed on Venus. They ranged in size from the limits of resolution of the Magellan SAR (i.e., hundreds of meters) to landforms over 500 km in basal diameter. One of the key questions pertaining to volcanism on Venus concerns the volume eruption rate or VER, which is linked to crustal productivity over time. While less than 3 percent of the surface area of Venus is manifested as discrete edifices larger than 50 km in diameter, a substantial component of the total crustal volume of the planet over the past 0.5 Ga is related to isolated volcanoes, which are certainly more easily studied than the relatively diffusely defined plains volcanic flow units. Thus, we have focused our efforts on constraining the volume productivity of major volcanic edifices larger than 100 km in basal diameter. Our approach takes advantage of the topographic data returned by Magellan, as well as our database of morphometric statistics for the 20 best known lava shields of Iceland, plus Mauna Loa of Hawaii. As part of this investigation, we have quantified the detailed morphometry of nearly 50 intermediate to large scale edifices, with particular attention to their shape systematics. We found that a set of venusian edifices which include Maat, Sapas, Tepev, Sif, Gula, a feature at 46 deg S, 215 deg E, as well as the shield-like structure at 10 deg N, 275 deg E are broadly representative of the approx. 400 volcanic landforms larger than 50 km. The cross-sectional shapes of these 7 representative edifices range from flattened cones (i.e., Sif) similar to classic terrestrial lava shields such as Mauna Loa and Skjaldbreidur, to rather dome-like structures which include Maat and Sapas. The majority of these larger volcanoes surveyed as part of our study displayed cross-sectional topographies with paraboloidal shaped, in sharp contrast with the cone-like appearance of most simple terrestrial lava shields. In order to more fully explore the differences between large venusian edifices and volcanoes on the Earth and Mars, we developed a volume scaling algorithm which relies on conservation of volcano morphometry as basal diameter is varied.

Garvin, J. B.↗
NASA NTRS1986

The upstream region, foreshock and bow shock wave at Halley's Comet from plasma electron measurements

Halley plasma electron parameters from 2.7 million km from the comet nucleus to the bow shock wave at 1.1 million km and beyond are surveyed. The features of the electron foreshock lying outside the shock to a distance of 230,000 km are described. It is a region of intense solar wind-comet plasma interaction in which energetic electrons are prominent. Several spikes of electrons whose energies extend to 2.5 keV appear in front of the shock. These energetic electrons may be accelerated in the same way electrons are accelerated at the Earth's bow shock to energies of 1 to 10 keV. The direction of the electron bulk flow direction changes abruptly between 1920 and 1922 UT, and the flow speed begins a sharp decline at the same time. It is suggested that the spacecraft entered the bow shock wave between 1920 and 1922 UT. Electron density variations at Halley are very much smaller than those at Giacobini-Zinner.

Anderson, K. A.↗