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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23

First-principles investigation of phase stability in layered Na x ⁢CrO 2

Layered oxide intercalation compounds continue to attract interest as electrode materials for Na-ion batteries. However, many of these materials undergo complex phase transitions during cycling that influence battery performance but are still not completely understood. We have conducted a first-principles study of layered Na x ⁢CrO 2 (0 ≤ x ≤ 1) to assess phase stability between various Na-vacancy ordered phases in the O3 and P3 host structures. We predict that many of the low-energy phases belong to families of Na orderings that follow specific patterns. At high x, we identify families of vacancy row orderings in O3, which may also couple to magnetic orderings of the Cr spins. We predict similar orderings at intermediate x in P3 that contain antiphase boundaries between regions of the x = 1/2 ordering. In both cases, the average spacing between rows/boundaries is set by the overall composition. At x = 0, we find a strong preference for charge disproportionation and migration of Cr to tetrahedral sites in the intercalation layers. Finally, we obtain generally good agreement with experimental observations and rationalize key discrepancies.

25 ENERGY STORAGE↗

Orchestration of materials science workflows for heterogeneous resources at large scale

In the era of big data, materials science workflows need to handle large-scale data distribution, storage, and computation. Any of these areas can become a performance bottleneck. We present a framework for analyzing internal material structures (e.g., cracks) to mitigate these bottlenecks. We demonstrate the effectiveness of our framework for a workflow performing synchrotron X-ray computed tomography reconstruction and segmentation of a silica-based structure. Our framework provides a cloud-based, cutting-edge solution to challenges such as growing intermediate and output data and heavy resource demands during image reconstruction and segmentation. Specifically, our framework efficiently manages data storage, scaling up compute resources on the cloud. The multi-layer software structure of our framework includes three layers. A top layer uses Jupyter notebooks and serves as the user interface. A middle layer uses Ansible for resource deployment and managing the execution environment. A low layer is dedicated to resource management and provides resource management and job scheduling on heterogeneous nodes (i.e., GPU and CPU). At the core of this layer, Kubernetes supports resource management, and Dask enables large-scale job scheduling for heterogeneous resources. The broader impact of our work is four-fold: through our framework, we hide the complexity of the cloud’s software stack to the user who otherwise is required to have expertise in cloud technologies; we manage job scheduling efficiently and in a scalable manner; we enable resource elasticity and workflow orchestration at a large scale; and we facilitate moving the study of nonporous structures, which has wide applications in engineering and scientific fields, to the cloud. While we demonstrate the capability of our framework for a specific materials science application, it can be adapted for other applications and domains because of its modular, multi-layer architecture.

97 MATHEMATICS AND COMPUTING↗

LandCast Mosaic: Reconstructing Global Population Distributions, 1975-2025

LandCast Mosaic (LCM) provides a global, high-resolution gridded population dataset spanning 1975–2025, representing annual, scenario-consistent estimates of daytime, nighttime, and ambient population distributions. LCM builds on the 2025 LandScan Mosaic (LSM) population data by backcasting to earlier years using historical changes in built-surface area derived from the Global Human Settlement Layer (GHSL) and authoritative population counts from international datasets. The workflow scales 2025 building-informed gridded population estimates according to observed changes in built surface, applies linear interpolation for intermediate years, and normalizes estimates to match administrative- and country-level totals. The resulting dataset offers consistent, globally gridded population estimates over fifty years, suitable for temporal analyses of population dynamics, disaster risk modeling, and urban planning applications.

97 MATHEMATICS AND COMPUTING↗

Interkinetic and migratory behavior of a cohort of neocortical neurons arising in the early embryonic murine cerebral wall

Neocortical neuronogenesis occurs in the pseudostratified ventricular epithelium (PVE) where nuclei of proliferative cells undergo interkinetic nuclear movement. A fraction of daughter cells exits the cell cycle as neurons (the quiescent, or Q, fraction), whereas a complementary fraction remains in the cell cycle (the proliferative, or P, fraction). By means of sequential thymidine and bromodeoxyuridine injections in mouse on embryonic day 14, we have monitored the proliferative and post-mitotic migratory behaviors of 1 and 2 hr cohorts of PVE cells defined by the injection protocols. Soon after mitosis, the Q fraction partitions into a rapidly exiting (up to 50 microns/hr) subpopulation (Qr) and a more slowly exiting (6 microns/hr) subpopulation (Qs). Qr and Qs are separated as two distributions on exit from the ventricular zone with an interpeak distance of approximately 40 microns. Cells in Qr and Qs migrate through the intermediate zone with no significant change in the interpeak distance, suggesting that they migrate at approximately the same velocities. The rate of migration increases with ascent through the intermediate zone (average 2-6.4 microns/hr) slowing only transiently on entry into the developing cortex. Within the cortex, Qr and Qs merge to form a single distribution most concentrated over layer V.

NASA Discipline Neuroscience↗

Global Ocean Primary Production Trends in the Modern Ocean Color Satellite Record (1998-2015)

Ocean primary production (PP), representing the uptake of inorganic carbon through photosynthesis, supports marine life and affects carbon exchange with the atmosphere. It is difficult to ascertain its magnitude, variability, and trends due to our inability to measure it directly at large scales. Yet it is paramount for understanding changes in marine health, fisheries, and the global carbon cycle. Using assimilation of ocean color satellite data into an ocean biogeochemical model, we estimate that global net ocean PP has experienced a small but significant decline −0.8 PgC/y (−2.1%) per decade (P < 0.05) in the 18-year satellite record from 1998 to 2015. This decline is associated with shallowing surface mixed layer depth (−2.4% per decade) and decreasing nitrate concentrations (−3.2% per decade). Relative contributions to PP by various types of ocean phytoplankton have changed, with decreases in production by intermediate-sized phytoplankton represented by chlorophytes (−14.3% per decade). This is partially compensated by increases from the unique, more nutrient-efficient, coccolithophores (8.4% per decade). Geographically, the North and Equatorial Indian Oceans are responsible for much of the decline in PP, falling 0.16 and 0.69 PgC/y per decade, respectively. Reduced production by large, fast-growing diatoms along with chlorophytes characterizes the decline here. In contrast, increases in PP are found in the North and North Central Pacific. The increases here are led by chlorophytes in the North Pacific and the small cyanobacteria in the North Central Pacific. These results suggest that the multi-decadal satellite observational record, coupled with an underlying representation of marine biodiversity in a model, can monitor the uptake of carbon by phytoplankton and that changes, although small, are occurring in the global oceans.

Watson W Gregg↗

Comprehensively Strengthened Metal‐Oxygen Bonds for Reversible Anionic Redox Reaction

Introducing anionic redox in layered oxides is an effective approach to breaking the capacity limit of conventional cationic redox. However, the anionic redox reaction generally suffers from excessive oxidation of lattice oxygen to O 2 and O 2 release, resulting in local structural deterioration and rapid capacity/voltage decay. Here, a Na 0.71 Li 0.22 Al 0.05 Mn 0.73 O 2 (NLAM) cathode material is developed by introducing Al 3+ into the transition metal (TM) sites. Thanks to the strong Al–O bonding strength and small Al 3+ radius, the TMO 2 skeleton and the holistic TM–O bonds in NLAM are comprehensively strengthened, which inhibits the excessive lattice oxygen oxidation. The obtained NLAM exhibits a high reversible capacity of 194.4 mAh g —1 at 20 mA g —1 and decent cyclability with 98.6% capacity retention over 200 cycles at 200 mA g —1 . In situ characterizations reveal that the NLAM experiences phase transitions with an intermediate OP4 phase during the charge–discharge. Theoretical calculations further confirm that the Al substitution strategy is beneficial for improving the overlap between Mn 3d and O 2p orbitals. Importantly, this finding sheds light on the design of layered oxide cathodes with highly reversible anionic redox for sodium storage.

25 ENERGY STORAGE↗

Processing of High Resolution, Multiparametric Radar Data for the Airborne Dual-Frequency Precipitation Radar APR-2

Following the successful Precipitation Radar (PR) of the Tropical Rainfall Measuring Mission, a new airborne, 14/35 GHz rain profiling radar, known as Airborne Precipitation Radar - 2 (APR-2), has been developed as a prototype for an advanced, dual-frequency spaceborne radar for a future spaceborne precipitation measurement mission. . This airborne instrument is capable of making simultaneous measurements of rainfall parameters, including co-pol and cross-pol rain reflectivities and vertical Doppler velocities, at 14 and 35 GHz. furthermore, it also features several advanced technologies for performance improvement, including real-time data processing, low-sidelobe dual-frequency pulse compression, and dual-frequency scanning antenna. Since August 2001, APR-2 has been deployed on the NASA P3 and DC8 aircrafts in four experiments including CAMEX-4 and the Wakasa Bay Experiment. Raw radar data are first processed to obtain reflectivity, LDR (linear depolarization ratio), and Doppler velocity measurements. The dataset is then processed iteratively to accurately estimate the true aircraft navigation parameters and to classify the surface return. These intermediate products are then used to refine reflectivity and LDR calibrations (by analyzing clear air ocean surface returns), and to correct Doppler measurements for the aircraft motion. Finally, the the melting layer of precipitation is detected and its boundaries and characteristics are identifIed at the APR-2 range resolution of 30m. The resulting 3D dataset will be used for validation of other airborne and spaceborne instruments, development of multiparametric rain/snow retrieval algorithms and melting layer characterization and statistics.

airborne radar↗

Robust, Flexible Motion Control for the Mars Explorer Rovers

The Mobility Flight Software, running on computers aboard the Mars Explorer Rover (MER) robotic vehicles Spirit and Opportunity, affords the robustness and flexibility of control to enable safe and effective operation of these vehicles in traversing natural terrain. It can make the vehicles perform specific maneuvers commanded from Earth, and/or can autonomously administer multiple aspects of mobility, including choice of motion, measurement of actual motion, and even selection of targets to be approached. Motion of a vehicle can be commanded by use of multiple layers of control, ranging from motor control at a low level, direct drive operations (e.g., motion along a circular arc, motion along a straight line, or turn in place) at an intermediate level to goal-position driving (that is, driving to a specified location) at a high level. The software can also perform high-level assessment of terrain and selection of safe paths across the terrain: this involves processing of the digital equivalent of a local traversability map generated from images acquired by stereoscopic pairs of cameras aboard the vehicles. Other functions of the software include interacting with the rest of the MER flight software and performing safety checks.

Maimone, Mark↗

Three interaction energy scales in the single-layer high-$T_c$ cuprate HgBa 2 CuO 4+δ

The lamellar cuprate superconductors exhibit the highest ambient-pressure superconducting transition temperatures ($T_c$), and after more than three decades of extraordinary research activity, continue to pose formidable scientific challenges. A major experimental obstacle has been to distinguish universal phenomena from materials- or technique-dependent ones. Angle-resolved photoemission spectroscopy (ARPES) measures momentum-dependent single-particle electronic excitations and has been invaluable in the endeavor to determine the anisotropic momentum-space properties of the cuprates. HgBa 2 CuO 4+δ (Hg1201) is a single-CuO 2 -layer cuprate with a particularly high optimal Tc and a simple crystal structure, yet there exists little information from ARPES about the electronic properties of this model system. In this paper we present an ARPES study of doping-, temperature-, and momentum-dependent systematics of near-nodal dispersion anomalies in Hg1201. The data reveal a hierarchy of three distinct energy scales: a subgap low-energy kink, an intermediate-energy kink near 55 meV, and a peak-dip-hump structure. The first two features are attributed to the coupling of electrons to Ba-derived optical phonons and in-plane bond-stretching phonons, respectively. The nodal peak-dip-hump structure appears to have a common doping dependence in several single-layer cuprates and is interpreted as a manifestation of pseudogap physics at the node. These results establish several universal phenomena, both in terms of connecting multiple experimental techniques for a single material and in terms of connecting comparable spectral features in multiple structurally similar cuprates.

36 MATERIALS SCIENCE↗

Janus Nanocages of Platinum-Group Metals and Their Use as Effective Dual-Electrocatalysts

Janus nanocages with distinctive platinum-group metals on the outer and inner surfaces can naturally catalyze at least two different reactions. In this work, we report a general method based on successive deposition and then selective etching for the facile synthesis of such nanocages. Herein, we have fabricated 11 different types of Janus nanocages characterized by a uniform size and well-defined {100} facets, together with porous, ultrathin, asymmetric walls up to 1.6 nm thick. When tested as dual-electrocatalysts toward oxygen reduction and evolution reactions, the Janus nanocages based on Pt and Ir exhibited superior activities depending on the thickness and relative position of the metal layer. Density functional theory studies suggest that the alloy composition and surface structure of the nanocages both play important roles in enhancing the electrocatalytic activities by modulating the stability of key reaction intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Alkali Cation Inhibition of Imidazolium-Mediated Electrochemical CO 2 Reduction on Silver

Imidazolium-based ionic liquids have led to enhanced CO 2 electroreduction activity due to cation effects at the cathode surface, stabilizing the reaction intermediates and decreasing the activation energy. In aqueous media, alkali cations are also known to improve CO 2 reduction activity on metals such as Ag, with the enhancement attributed to electrical double layer effects and trending with the size of the alkali cation. However, the effect of a mixed catholyte solution of alkali cations in the presence of an imidazolium-based ionic liquid has not been well-explored. Herein, 1-ethyl-3-methylimidazolium tetrafluoroborate, [EMIM][BF 4 ], in water was investigated with alkali salts to unravel the interaction effects for CO 2 electroreduction on Ag. Although both [EMIM] + and alkali cations have individually improved CO 2 to CO conversion on Ag in water, electrochemical results showed that alkali cations hindered imidazolium-mediated CO 2 electroreduction in most conditions. Li + , in particular, was sharply inhibitory compared to other alkali cations and strongly redirected the selectivity to hydrogen evolution. The nature of the alkali cation inhibition was investigated with spectroscopic techniques, including in situ surface-enhanced Raman spectroscopy (SERS) and dynamic electrochemical impedance spectroscopy (DEIS). Along with computational insights from density functional theory (DFT), the electrochemical and spectroscopic data suggest that alkali cations inhibit [EMIM]-mediated CO 2 reduction by competing for surface adsorption sites, preventing the potential-dependent structural reorientation of imidazolium, and promoting hydrogen evolution by bringing solvated water to the cathode surface.

cations↗

Electronic spectra with paramagnon fractionalization in the single-band Hubbard model

We examine spectral properties of a recently proposed theory of the intermediate temperature pseudogap metal phase of the cuprates. We show that this theory can be obtained from the familiar paramagnon theory of nearly antiferromagnetic metals by fractionalizing the paramagnon into two “hidden” layers of S = 1 / 2 spins. The first hidden layer of spins hybridizes with the electrons as in a Kondo lattice heavy Fermi liquid, whereas the second hidden layer of spins forms a spin liquid with fractionalized spinon excitations. Here, we compute the imaginary part of the electronic self-energy induced by the spinon excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cooling the Origins Space Telescope

The NASA Astrophysics Division has commissioned 4 studies for consideration by the 2020 Decadal Survey to be the next flagship mission following WFIRST (Wide Field Infrared Survey Telescope). One of the four studies is the Origins Space Telescope (OST), which will cover wavelengths from 6 microns to 600 microns. To perform at the level of the zodiacal, galactic, and cosmic background, the telescope must be cooled to 4 degrees Kelvin. 4 degrees Kelvin multi-stage mechanical cryocoolers will be employed along with a multilayer sunshield/thermal shield to achieve this temperature with a manageable parasitic heat load. Current state-of-the-art cryocoolers can achieve close to 4 degrees Kelvin, providing about 50 megawatts of cooling at 4 degrees Kelvin with an input power of 500 watts. Multiple coolers at this power level will be used in parallel. These coolers also provide extra cooling power at intermediate temperature stages of 15-20 degrees Kelvin and 50-70 degrees Kelvin . This upper stage cooling will be used to limit the heat conducted to 4 degrees Kelvin . The multi-layer sunshield will limit the radiated thermal energy to the 4 degrees Kelvin volume. This paper will describe the architecture of the cryogenic system for OST along with preliminary thermal models.

cryogenics↗

Simulated Galactic Cosmic Ray and Solar Particle Event Radiation Effects on Inflatable Habitat, Composite Habitat, Space Suit and Space Hatch Cover Materials

The effect of particle radiation representative of galactic cosmic ray (GCR) and solar particle event (SPE) radiation on polymeric materials used in deep space mission environments is largely unknown. For NASA, this uncertainty represents an unquantified mission risk. To better quantify this risk, selected polymeric materials used in inflatable habitats, composite habitats, space suits and space hatch covers are irradiated at the Brookhaven National Laboratory, after which changes in relevant end-use properties are measured. The irradiated materials are lightweight candidates having critical functions such as ripstops, permeation barriers, micrometeoroids and orbital debris (MMOD) shield layers and restraint layers.The effect of several types of particle radiation are evaluated. To evaluate GCR effects, high-energy (1 GeV) protons and iron nucleons are used. To evaluate SPE effects, intermediate energy (ca. 20 to 40 MeV) protons are used. In addition, two mission scenarios are evaluated: a Mars mission cycle (space suit materials) and a worst-case 50 year deep space mission cycle (all materials). Lastly, a common polymer (high density polyethylene (HDPE)) is subjected to accelerated aging and radiation exposure to determine if a combined physical aging/radiation effect exists.The level of radiation induced property change observed in this study after exposure of polymers to kGy levels of intermediate and high energy ions is often significant and is quantitatively comparable to the level of change reported for similar materials exposed to MGy levels of low energy protons, electrons and gamma-radiation. This suggests that intermediate and high energy ions encountered in space may cause more damage than low energy forms of radiation due to displacement and linear energy transfer (LET) effects. For these reasons, it is recommended that final approval for mission use be made by the appropriate NASA material and structural review boards to ensure radiation induced changes in candidate materials do not interfere with their engineering function in the intended mission application. Since the materials tested in this report received doses exceeding actual mission doses, the results are considered conservative as a first approximation. However, caution must be exercised when evaluating radiation effects in the absence of other secondary factors know to contribute to degradation. In the addition to radiation type and energy, the results presented in this study show that molecular composition, orientation, stress and physical aging can also contribute to or influence degradation. Other factors such as polymer formulation, secondary radiation effects, stress, exposure to elevated temperature, thermal cycling and exposure to ozone were not investigated here, but must be considered when performing a comprehensive evaluation of a polymeric materials suitability for service in a space radiation environment. Only when the total sum of these factors operating in concert with radiation are accounted for, can accurate assessments of a material's suitability be made.

Jess M. Waller↗

Anisotropic 2D excitons unveiled in organic-inorganic quantum wells

Here we report that two-dimensional (2D) excitons arise from electron-hole confinement along one spatial dimension. Such excitations are often described in terms of Frenkel or Wannier limits according to the degree of exciton spatial localization and the surrounding dielectric environment. In hybrid material systems, such as the 2D perovskites, the complex underlying interactions lead to excitons of an intermediate nature, whose description lies somewhere between the two limits, and a better physical description is needed. Here, we explore the photophysics of a tuneable materials platform where covalently bonded metal-chalcogenide layers are spaced by organic ligands that provide confinement barriers for charge carriers in the inorganic layer. We consider self-assembled, layered bulk silver benzeneselenolate, [AgSePh] ∞ , and use a combination of transient absorption spectroscopy and ab initio GW plus Bethe-Salpeter equation calculations. We demonstrate that in this non-polar dielectric environment, strongly anisotropic excitons dominate the optical transitions of [AgSePh] ∞ . We find that the transient absorption measurements at room temperature can be understood in terms of low-lying excitons confined to the AgSe planes with in-plane anisotropy, featuring anisotropic absorption and emission. Finally, we present a pathway to control the exciton behaviour by changing the chalcogen in the material lattice. Our studies unveil unexpected excitonic anisotropies in an unexplored class of tuneable, yet air-stable, hybrid quantum wells, offering design principles for the engineering of an ordered, yet complex dielectric environment and its effect on the excitonic phenomena in such emerging materials.

36 MATERIALS SCIENCE↗

The Near and Intermediate Wake of a Thick Flat Plate with a Circular Trailing Edge

The near and intermediate wake regions of a thick flat plate with a circular trailing edge (TE) are investigated with a direct numerical simulation (DNS). The focus is on the region x/D < 43.0(D is the diameter of the TE). The upper and lower separating boundary layers are both turbulent and are statistically identical; the resulting wake is symmetric in the mean. The present study is a continuation of an earlier investigation (Case AX). The earlier research dealt with shed vortex structure, in particular the persistence of the coherence of these vortices with increasing streamwise distance (except for infrequent, random disruption/rupture). In addition, across-centerline movement (ACM)of shed vortices, that is prevalent past x/D = 20.0 in a cylinder case at a comparable Reynolds number, was found to be essentially absent in Case AX. In the present investigation, an underlying cause for the occasional disruption/rupture of shed vortices is explored. Strong interactions between subsequent shed vortices in the trailing edge region is found to be an important contributor to this phenomenon. The distributions of phase-averaged streamwise and cross-stream components of intensity and the corresponding budget terms in the near wake are compared with those obtained in the intermediate wake here. In addition, the main features of the distribution of the phase-averaged velocity pressure-gradient term are compared with those of the production term, for the two intensity components. Except for a change in sign, the important features in the two budget terms are qualitatively similar for both components.

Direct Numerical Simulations of Flat Plate Wake↗

Superconducting phase transitions in disordered NbTiN films

Suppression of superconductivity in disordered systems is a fundamental problem of condensed matter physics. Here we investigate superconducting niobium-titanium-nitride (Nb 1-x Ti x N) thin films grown by the atomic layer deposition (ALD) with slightly different growth process parameters. We observe a smooth crossover from the disorder-driven superconductor-normal metal transition (SMT) to the superconductor-insulator transition (SIT) via the intermediate Bose metal state detected by the low-temperature saturation of the temperature dependence of the sheet resistance. We demonstrate that the SIT via the intervening Bose metal state occurs if the sheet resistance of the film in the maximum, R max prior to the superconducting drop of R(T), exceeds R q = h/4e 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigating the hydrolysis of cryogenically layered molybdenum hexafluoride through a disordered hydrogen-bonded network

Molybdenum hexafluoride (MoF6) is used as a non-radioactive substitute for uranium to study the hydrolysis of metal hexafluorides. Molybdenum hexafluoride gas and water vapor, from the air, were sequentially layered onto a diamond substrate kept at liquid nitrogen temperature using a custom designed cryogenic cell with a copper cold finger. Reaction progress was monitored by transmission Fourier Transform Infrared Spectroscopy (FTIR) through the layers and diamond substrate over several hours while allowing the substrate to warm. Changes in the modes in the 500–1000 cm -1 region are tracked as the reaction progresses in order to identify intermediate species. Strong absorption features are also observed in the 1000–3000 cm -1 range, suggesting the presence of ionic dissociation intermediates trapped in a disordered H-bonded network of cryogenic hydrofluoric acid. Here, a possible reaction pathway is proposed and the final hydrolysis product is characterized by FTIR, UV-vis, and scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗