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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Evidence for a Stratified Upper Mantle Preserved within the South Pole - Aitken Basin

The evolution and compositional structure of the lunar mantle has been extensively modeled but insufficiently constrained by observations. Here, we identify and characterize mantle materials exposed by the Moon's largest impact basin to better understand the composition, stratigraphy, and evolution of the upper mantle. The vast South Pole-Aitken Basin (SPA) exhibits a broad, crescent-shaped thorium and potassium distribution. These incompatible elements are predicted to be concentrated in the dregs of the lunar magma ocean during end-stage crystallization. Through consideration of basin formation models convolved with subsequent geologic evolution, we demonstrate that the distribution and implied stratigraphy of Th- and K-bearing materials across SPA are consistent with an upper mantle ejecta origin. The most pristine exposures of these materials are confined to northwest SPA and also exhibit elevated Ti and Fe (relative to the farside highlands) in association with a gabbronoritic mineralogy. This is consistent with latestage magma ocean assemblages predicted by petrologic models. In contrast, SPA impact melt derived from greater depths is associated with a low-Ca pyroxene-dominated assemblage. Together, these compositional patterns are evidence for a stratified ancient upper mantle. Importantly, the incompatible-element-enriched, ilmenite-bearing ferroan gabbronoritic cumulates evidently had not participated in gravitational overturn at the time of SPA formation. Contrary to recent hypotheses invoking nearside sequestration of incompatible elements to explain hemispherical differences in crustal building and volcanic resurfacing, it follows that incompatible elements were globally distributed in the magma ocean at the time of SPA formation.

Lunar dichotomy↗
DOE OSTI2022

Electronic and structural properties of RbCe X 2 ( X 2 : O 2 , S 2 , SeS, Se 2 , TeSe, Te 2 )

We report triangular lattice delafossite compounds built from magnetic lanthanide ions are a topic of recent interest due to their frustrated magnetism and realization of quantum disordered magnetic ground states. Here we report the evolution of the structure and electronic ground states of RbCeX 2 compounds, built from a triangular lattice of Ce 3+ ions, upon varying their anion character (X 2 =O 2 , S 2 , SeS, Se 2 , TeSe, Te 2 ). This includes the discovery of a new member of this series, RbCeO 2 , that potentially realizes a quantum disordered ground state analogous to NaYbO 2 . Magnetization and susceptibility measurements reveal that all compounds manifest mean-field antiferromagnetic interactions and, with the exception of the oxide, possess signatures of magnetic correlations onset below 1 K. The crystalline electric field level scheme is explored via neutron scattering and ab initio calculations in order to model the intramultiplet splitting of the J=5/2 multiplet. In addition to the two excited doublets expected within the J=5/2 manifold, we observe one extra local mode present across the sample series. This added mode shifts downward in energy with increasing anion mass and decreasing crystal field strength, suggesting a long-lived anomalous mode endemic to anion motion about the Ce3 + sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Perovskite-Type Solid Solution Nano-Electrocatalysts Enable Simultaneously Enhanced Activity and Stability for Oxygen Evolution

A trade-off between catalytic activity and structural stability generally exists in oxygen evolution electrocatalysis, especially in acidic environment. This dilemma limits the development of higher-performance electrocatalysts that are required by next-generation electrochemical technologies. In this work it is demonstrated that the inverse catalytic activity–structural stability relation can be broken by alloying catalytically inert strontium zirconate with the other catalytically active perovskite, strontium iridate. This strategy results in an alloyed perovskite electrocatalyst with simultaneously improved iridium mass activity and structural stability, by about five times, for the oxygen evolution reaction under acidic conditions. The experimental and theoretical results suggest that the alloying strategy generates multiple positive effects, mainly including the reduction of catalyst size, the decrease of catalyst covalency, and the weakening of surface oxygen-binding ability. The synergistic optimization of bulk and surface properties, as a result, enhances the intrinsic activity and availability of surface iridium sites, whilst significantly inhibiting the surface cation corrosion during electrocatalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A High-Speed Rotational Diamond Anvil Cell for In Situ Analysis of Hierarchical Microstructural Evolution of Metallic Alloys during Extreme Shear Deformation

High speed shear deformation is ubiquitous in engineering applications, ranging from material processing methods such as friction stir processing/extrusion and in tribological contacts. However, analyzing the microstructural evolution of materials while they are undergoing high speed shear deformation have been a long-standing challenge. This led to predominant reliance on ex situ microscopy before and after shear deformation. But ex situ microscopy lacks the ability to analyze dynamic and transient hierarchical microstructural evolution mechanisms that could occur during shear deformation of materials. Therefore, to better understand the dynamic mechanisms of mass and energy transfer in materials under shear deformation, we developed a first of its kind high-speed rotational diamond anvil cell (HS-RDAC) for synchrotron-based in situ high-energy x-ray diffraction (XRD). We studied the time resolved lattice strain evolution, XRD peak broadening and changes in spatial variation of shear deformation induced alloying in pure metal and metal alloy sheets and powder mixture using the HS-RDAC. These in situ results were combined with detailed ex situ microstructural characterization before and after the shear deformation using transmission electron microscopy and atom probe tomography, which revealed the different stages of evolution of a shear deformation induced hierarchical nanostructure. Multiscale computational simulations including computational fluid dynamics, crystal plasticity, molecular dynamic simulation and density functional theory uncovered the mechanisms behind morphological changes, evolution of defect structures and changes in driving force for shear deformation induced intermixing. In conclusion, this in situ HS-RDAC capability, in combination with ex situ microstructural characterization and computational simulations, can provide new insights into the hierarchical microstructural evolution pathway during shear deformation.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Evolution of a localized thermal explosion in a reactive gas

Experimental observations of ignition in premixed gaseous reactants indicate that perfectly homogeneous initiation is practically unrealizable. Instead, combustion first sets in, as a rule, at small, discrete sites where inherent inhomogeneities cause chemical activity to proceed preferentially and lead to localized explosions. Combustion waves propagating away from these hot spots or reaction centers eventually envelop the remaining bulk. This study examines the spatial structure and temporal evolution of a hot spot for a model involving Arrhenius kinetics. The hot spot, characterized by peaks in pressure and temperature with little diminution in local density, is shown to have one of two possible self-similar structures. The analysis employs a combination of asymptotics and numerics, and terminates when pressure and temperature in the explosion have peaked.

Jackson, T. L.↗
DOE OSTI2023

Dark matter halo mass functions and density profiles from mass and energy cascade

Abstract Halo abundance and structure play a central role for modeling structure formation and evolution. Without relying on a spherical or ellipsoidal collapse model, we analytically derive the halo mass function and cuspy halo density (inner slope of −4/3) based on the mass and energy cascade theory in dark matter flow. The hierarchical halo structure formation leads to halo or particle random walk with a position-dependent waiting time $$\tau _g$$ τ g . First, the inverse mass cascade from small to large scales leads to the halo random walk in mass space with $$\tau _g\propto m_h^{-\lambda }$$ τ g ∝ m h - λ , where $$m_h$$ m h is the halo mass and $$\lambda$$ λ is a halo geometry parameter with predicted value of 2/3. The corresponding Fokker-Planck solution for halo random walk in mass space gives rise to the halo mass function with a power-law behavior on small scale and exponential decay on large scale. This can be further improved by considering two different $$\lambda$$ λ for haloes below and above a critical mass scale $$m_h^*$$ m h ∗ , i.e. a double- $$\lambda$$ λ halo mass function. Second, a double- $$\gamma$$ γ density profile can be derived based on the particle random walk in 3D space with a position-dependent waiting time $$\tau _g \propto \Phi (r)^{-1} \propto r^{-\gamma }$$ τ g ∝ Φ ( r ) - 1 ∝ r - γ , where $$\Phi$$ Φ is the gravitational potential and r is the particle distance to halo center. Theory predicts $$\gamma =2/3$$ γ = 2 / 3 that leads to a cuspy density profile with an inner slope of −4/3, consistent with the predicted scaling laws from energy cascade. The Press-Schechter mass function and Einasto density profile are just special cases of proposed models. The small scale permanence can be identified due to the scale-independent rate of mass and energy cascade, where density profiles of different halo masses and redshifts converge to the $$-4/3$$ - 4 / 3 scaling law ( $$\rho _h \propto r^{-4/3}$$ ρ h ∝ r - 4 / 3 ) on small scales. Theory predicts the halo number density scales with halo mass as $$\propto m_h^{-1.9}$$ ∝ m h - 1.9 , while the halo mass density scales as $$\propto m_h^{4/9}$$ ∝ m h 4 / 9 . Results were compared against the Illustris simulations. This new perspective provides a theory for nearly universal halo mass functions and density profiles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Contrasting structural reversibility and magnetic correlations in isostructural honeycomb magnets CrCl3 and 𝛼−RuCl3

We report a comparative neutron single crystal diffraction study of the structural and magnetic properties of layered halides CrCl3 and 𝛼−RuCl3. They host a honeycomb arrangement of transition metal ions with distinct electronic configurations and undergo a first-order structural transition between high-temperature 𝐶⁢2/𝑚 and low-temperature 𝑅⁢‾‾‾3. Both compounds show a step-like change in the 𝑐-lattice parameter across the structure transition. In contrast, the in-plane lattice response is quite different: 𝛼−RuCl3 exhibits an abrupt hysteretic change across the transition accompanied by progressive crystalline degradation upon thermal cycling, whereas CrCl3 shows a smooth in-plane lattice evolution and remains structurally robust. Magnetically, CrCl3 orders into an A-type antiferromagnetic structure at 𝑇𝑁=14 K and exhibits pronounced diffuse magnetic scattering extending up to about 40 K. 𝛼−RuCl3 shows no observable magnetic diffuse scattering above its zigzag antiferromagnetic ordering temperature 𝑇𝑁=7.6 K. These results suggest that the contrasting structural responses arise from an interplay between interlayer sliding energetics, stacking-strain coupling, and elastic accommodation of the stacking transition. The distinct chemical bonding and electronic configurations of the two compounds provide a microscopic basis for their different lattice responses to the structure transition and magnetic correlations.

Morgan, Zachary [ORNL] (ORCID:0000000243625911)↗
DOE OSTI2025

Multiscale structural analysis of polymorphic phase boundaries in doped antiferroelectric sodium niobate

In the current work, we have performed multiscale structural analysis of a Pb-free sodium niobate-based smart system, i.e., 0.9⁢NaNbO 3 –0.1⁢Ba 0.9 ⁢Ca 0.1 ⁢TiO 3 (NN-10BCT) reported earlier for its high ferroelectric response. We have investigated the temperature-dependent evolution of crystal structure at long, medium, and short ranges using synchrotron x-ray diffraction (SXRD), Raman scattering, and pair distribution function(PDF) techniques in conjunction with dielectric studies. Temperature-dependent synchrotron x-ray diffraction data combined with dielectric analysis suggest two unique polymorphic phase boundaries (PPB) with two coexisting ferroelectric phases stable in the wide temperature ranges. These PPBs are stable in different regions viz. (i) cryogenic temperatures with coexisting R3c and Pmc⁢2 1 phases (ii) vicinity of room temperatures with coexisting Pmc⁢2 1 and Amm2 phases. In contrast to the conclusions drawn from SXRD, PDF reveals structures having lower symmetry (with coexisting Cc+ Pmc2 1 phases at 1.7 ≤r≤ 20 Å) at short ranges for these PPBs. In conclusion, the presence of different long- and short-range symmetries (accommodating tilt-oriented ferroelectric phases) in the unique polymorphic phase boundaries makes them thermally stable and advantageous for technological applications.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Synoptic maps of solar wind parameters from in situ spacecraft observations

Solar wind observations from the Interplanetary Monitoring Platform-8 (IMP-8) and Pioneer Venus Orbiter (PVO) spacecraft from 1982 until 1988 are combined to construct synoptic maps of solar wind parameters near 1 AU. Each map consists of 6 months of hourly averaged solar wind data, binned by heliographic latitude and Carrington longitude and projected back to the Sun. These maps show the structure and time evolution of solar wind streams near 1 AU in the heliographic latitudes of +/- 7.25 deg and provide and explicit picture of several phenomena, such as gradients, changes in the inclination of the heliospheric current sheet, and the relative positions of various structures in the inner heliosphere, that is difficult to obtain from single-spacecraft observations. The stream structure varied significantly during the last solar cycle. Between 1982 and early 1985, solar wind parameters did not depend strongly on heliographic latitude. During the last solar minimum, the solar wind developed significant latitudinal structure, and high-speed streams were excluded from the vicinity of the solar equator. The interplanetary magnetic field was strongly correlated with the coronal field, and the current sheet tended to coincide with the coronal neutral line. The solar wind speed showed the expected correlations with temperature, interplanetary magnetic field, and distance from the current sheet. The solar wind speed was anticorrelated with density, but the regions of highest density occurred east of the heliospheric current sheet and the regions of lowest solar wind speed. This is consistent with compression at the leading edge of high-speed streams.

Gazis, P. R.↗
DOE OSTI2026

Impact of Cosmic Filaments on Galaxy Morphological Evolution and Predictions of Early Cosmic Web Structure for Roman

We leverage the IllustrisTNG cosmological simulations to test how the large-scale cosmic web shapes galaxy morphology and to forecast the early cosmic web structure that the Nancy Grace Roman Space Telescope will reveal. In the hydrodynamic TNG50 and N-body TNG50-Dark runs, we reconstruct the cosmic web at redshifts z = 0, 0.5, 1, 2, 3, and 4 with the Monte Carlo Physarum Machine density estimator and the DisPerSE structure identification framework. We confirm that dark matter halos start out predominantly prolate (elongated), and their shapes are aligned with their nearest filaments; prolate galaxies retain strong shape alignment with their outer halos to later times. At z ≥ 1, the fraction of prolate (spheroidal) halos increases (decreases) toward lower stellar mass, higher redshift, and lower filament density. At z < 1, more spheroidal (oblate) stellar structures preferentially reside in higher-density (lower-density) filaments. We also find that higher-density filaments favor extended rotationally supported disks, whereas lower-density filaments more often host smaller dispersion-supported systems. Then, generating mock galaxy samples from TNG100 and TNG50, we predict the early cosmic web accessible to Roman. We find that the spectroscopic emission-line depth planned for the High-Latitude Wide-Area Survey (HLWAS) yields a highly incomplete galaxy sample that does not accurately trace the z = 1 cosmic web. A survey ≥2.5× deeper over a few square degrees would enable a proper reconstruction and reveal qualitatively correct filament–galaxy morphology relationships. Nevertheless, the planned HLWAS Deep field should still identify most galaxy overdensities; targeted deeper spectroscopy of these regions would efficiently and adequately map the early filamentary structure.

Hasan, Farhanul [Space Telescope Science Institute↗
NASA NTRS1974

The thermal state and internal structure of Mars

The evolution and state of the interior of Mars are studied through the use of theoretically calculated thermal history and density models. Invoking melting of an Fe-FeS mixture permits initial core formation within the first billion years. At the present time the core radius ranges from about 1300 to 1800 km, depending on composition, and the core is liquid even if the composition is varied from the eutectic. Large-scale differentiation of the silicates occurs in the last 2 b.y. When the mean density is 3.96 g/cu cm, the radius is 3389 km, and the moment of inertia factor is 0.377, the density models indicate high mantle densities near 3.74 g/cu cm. Thus an FeO content of about 29% is implied, consistent with the production of a low-viscosity magma. Chemical models of the Martian mantle indicate a composition primarily of olivine with about 56% forsterite.

Johnston, D. H.↗
NASA NTRS1980

Evolution of planetary lithospheres - Evidence from multiringed structures on Ganymede and Callisto

The thickness and viscosity of a planetary lithosphere increase with time as the mantle cools, with a thicker lithosphere leading to the formation of one (or very few) irregular normal faults concentric to the crater. Since a gravity wave or tsunami induced by impact into a liquid mantle would result in both radial and concentric extension features, which are not observed in the case of the large impact structures on Ganymede and Callisto, an alternative mechanism is proposed in which the varying ice/silicate ratios, tectonic histories, and erosional mechanisms of the two bodies are considered to explain the subtle differences in thin lithosphere ring morphology between Ganymede and Callisto. It is concluded that the present lithosphere thickness of Ganymede is too great to permit the development of any rings.

Mckinnon, W. B.↗
NASA NTRS1986

Evolution of lightning flash density and reflectivity structure in a multicell thunderstorm

The radar reflectivity structure and the distribution of lightning in a storm cell was investigated using S-band and UHF-band radar data for six storm cells over Wallops Island. The S-band scans were vertical and continuous, while the UHF data were taken in steps of 2.5 deg elevation. The peak in lightning activity during the study corresponded to a merging of two storm cells. A minimum height of 7 km was found necessary for the appearance of a 40 dBZ core with lightning, which first appears in a multicell thunderstorm at the leading edge of the 50 dBZ core of the cell and between a cell and its decaying neighbor. The lightning moves further into the cell during cell decay and decreases in density. Finally, the lightning is offset horizontally from the precipitation core during cell growth but colocates with the precipitation core as the cell dissipates.

Mazur, V.↗
NASA NTRS1991

Spillover, nonlinearity, and flexible structures

Many systems whose evolution in time is governed by Partial Differential Equations (PDEs) are linearized around a known equilibrium before Computer Aided Control Engineering (CACE) is considered. In this case, there are infinitely many independent vibrational modes, and it is intuitively evident on physical grounds that infinitely many actuators would be needed in order to control all modes. A more precise, general formulation of this grave difficulty (spillover problem) is due to A.V. Balakrishnan. A possible route to circumvention of this difficulty lies in leaving the PDE in its original nonlinear form, and adding the essentially finite dimensional control action prior to linearization. One possibly applicable technique is the Liapunov Schmidt rigorous reduction of singular infinite dimensional implicit function problems to finite dimensional implicit function problems. Omitting details of Banach space rigor, the formalities of this approach are given.

Bass, Robert W.↗
NASA NTRS2011

Space Weathering Impact on Solar System Surfaces and Planetary Mission Science

We often look "through a glass, darkly" at solar system bodies with tenuous atmospheres and direct surface exposure to the local space environment. Space weathering exposure acts via universal space-surface interaction processes to produce a thin patina of outer material covering, potentially obscuring endogenic surface materials of greatest interest for understanding origins and interior evolution. Examples of obscuring exogenic layers are radiation crusts on cometary nuclei and iogenic components of sulfate hydrate deposits on the trailing hemisphere of Europa. Weathering processes include plasma ion implantation into surfaces, sputtering by charged particles and solar ultraviolet photons, photolytic chemistry driven by UV irradiation, and radiolytic chemistry evolving from products of charged particle irradiation. Regolith structure from impacts, and underlying deeper structures from internal evolution, affects efficacy of certain surface interactions, e.g. sputtering as affected by porosity and surface irradiation dosage as partly attenuated by local topographic shielding. These processes should be regarded for mission science planning as potentially enabling, e.g. since direct surface sputtering, and resultant surface-bound exospheres, can provide in-situ samples of surface composition to ion and neutral mass spectrometers on orbital spacecraft. Sample return for highest sensitivity compOSitional and structural analyses at Earth will usually be precluded by limited range of surface sampling, long times for return, and high cost. Targeted advancements in instrument technology would be more cost efficient for local remote and in-situ sample analysis. More realistic laboratory simulations, e.g. for bulk samples, are needed to interpret mission science observations of weathered surfaces. Space environment effects on mission spacecraft and science operations must also be specified and mitigated from the hourly to monthly changes in space weather and from longer term (e.g., solar cycle) evolution of space climate. Capable instrumentation on planetary missions can and should be planned to contribute to knowledge of interplanetary space environments. Evolving data system technologies such as virtual observatories should be explored for more interdisciplinary application to the science of planetary surface, atmospheric, magnetospheric, and interplanetary interactions.

Cooper, John F.↗
DOE OSTI2025

Concentration-Driven Slowdown of Chain-Exchange Kinetics in Block Copolymer Micelle Solutions

Here, we investigate the dependence of chain-exchange kinetics on polymer concentration for spherical micelles prepared from a polystyrene-b-poly(ethylene-alt-propylene) (SEP) diblock copolymer ( M n = 75 kDa, Ð = 1.05, and f PS = 0.18) in the PEP-selective solvent squalane. Solutions with concentrations of 15 vol% or more adopt a body-centered-cubic (BCC) packing of micelles, or a dense liquid-like packing (LLP), as confirmed by small-angle X-ray scattering. Concurrently, the mean aggregation number of the micelles grows steadily from about 60 in dilute solution to nearly 200 by 50 vol%. Time-resolved small-angle neutron scattering (TR-SANS) analysis reveals a monotonic and substantial (i.e., more than four orders of magnitude) decrease in the rate of chain exchange as the polymer concentration increases from 1 to 50 vol%. The TR-SANS relaxation functions are analyzed, taking into account both changes in contrast (due to chain exchange) and evolution in the structure factor (due to refinement of micelle packing). The activation energy for chain pullout is extracted using an established model and can be expressed as a linear function of polymer concentration, indicating that, in addition to the enthalpic barrier for extracting the core block, the evolution of micelle characteristics with increasing concentration imposes further constraints on chain exchange. Consistent with a theory of Halperin, these results suggest that the dominant factor reflects steric penalties during core block pullout arising from a reduced interfacial area per chain and associated increased corona crowding, due to the increase in aggregation number. The rate of exchange is independent of whether the micelles adopt a BCC or LLP arrangement, confirming that the rate-limiting step is extraction of the core block.

chemical structure↗
NASA NTRS1992

Three-dimensional temporal reconstruction and analysis of plume images

An experiment with two subsonic jets generating a cross-flow was conducted as part of a study of the structural features of temporal reconstruction of plume images. The flow field structure was made visible using a direct injection flow visualization technique. It is shown that image analysis and temporal three-dimensional visualization can provide new information on the vortical structural dynamics of multiple jets in a cross-flow. It is expected that future developments in image analysis, quantification and interpretation, and flow visualization of rocket engine plume images may provide a tool for correlating the engine diagnostic features by interpreting the evolution of the structures in the plume.

Dhawan, Atam P.↗