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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Structure, Hydration, and Interactions of Native and Hydrophobically Modified Phytoglycogen Nanoparticles

Phytoglycogen is a highly branched polymer of glucose produced as soft, compact nanoparticles by sweet corn. Properties such as softness, porosity, and mechanical integrity, combined with nontoxicity and biodegradability, make phytoglycogen nanoparticles ideal for applications involving the human body, ranging from skin moisturizing and rejuvenation agents in personal care formulations to functional therapeutics in biomedicine. To further broaden the range of applications, phytoglycogen nanoparticles can be chemically modified with hydrophobic species such as octenyl succinic anhydride (OSA). In this study, we present a self-consistent model of the particle structure, water content, and degree of chemical modification of the particles, as well as the emergence of well-defined interparticle spacings in concentrated dispersions, based on small-angle neutron scattering (SANS) measurements of aqueous dispersions of native phytoglycogen nanoparticles and particles that were hydrophobically modified using octenyl succinic anhydride (OSA) in both its protiated (pOSA) and deuterated (dOSA) forms. Measurements on native particles with reduced polydispersity have allowed us to refine the particle morphology, which is well described by a hairy particle (core-chain) geometry with short chains decorating the surface of the particles. The isotopic variants of OSA-modified particles enhanced the scattering contrast for neutrons, revealing lightly modified hairy chains for small degrees of substitution (DS) of OSA, and a raspberry particle geometry for the largest DS value, where the OSA-modified hairy chains collapse to form small seeds on the surface of the particles. This refined model of native and OSA-modified phytoglycogen nanoparticles establishes a quantitative basis for the development of new applications of this promising sustainable nanotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Additive Lithography–Organic Monolayer Patterning Coupled with an Area-Selective Deposition

The combination of area-selective deposition (ASD) with a patternable organic monolayer provides a versatile additive lithography platform, enabling the generation of a variety of nanoscale feature geometries. Stearate hydroxamic acid self-assembled monolayers (SAMs) were patterned with extreme ultraviolet (λ = 13.5 nm) or electron beam irradiation and developed with ASD to achieve line space patterns as small as 50 nm. Density functional theory was employed to aid in the synthesis of hydroxamic acid derivatives with optimized packing density to enhance the imaging contrast and improve dose sensitivity. Near-edge X-ray absorption fine structure spectroscopy and infrared spectroscopy reveal that the imaging mechanism is based on improved deposition inhibition provided by the cross-linking of the SAM to produce a more effective barrier during a subsequent deposition step. With patterned substrates composed of coplanar copper lines and silicon spacers, hydroxamic acids selectively formed monolayers on the metal portions and could undergo a pattern-wise exposure followed by ASD in the first combination of a patternable monolayer with ASD. This material system presents an additional capability compared to traditional ASD approaches that generally reflect a starting patterned surface. Finally, this bottoms-up additive approach to lithography may be a viable alternative to subtractive nanoscale feature generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Microscopic Mechanisms of Superionic Na-ion Conductivity in Crystalline and Amorphous NaMOCl 4 (M = Nb, Ta) Solid Electrolytes

Sodium-ion solid electrolytes offer a sustainable route toward next-generation batteries, but few match the performance of their lithium counterparts. Halide-based NaMOCl 4 (M = Nb, Ta) has recently emerged as a promising analogue to LiMOCl 4 , yet its structure–transport relationships remain unclear due to poor crystallinity in experiments. Here, we combine density functional theory and machine-learned molecular dynamics to reveal that crystalline NaMOCl 4 exhibits negligible room-temperature conductivity with high activation barriers arising from vacancy-mediated diffusion below an order–disorder transition. Above this transition, rotational and translational motion of the [MO 2/2 Cl 4 – ] ∞ chains create new Na sites and enhances transport. In contrast, the amorphous phase inherently supports facile, three-dimensional Na diffusion through dynamic framework flexibility. These results show that ordered crystalline phases hinder ionic transport, while disorder – either thermally induced or structural – facilitates it, revising prior assumptions from the Li system and providing design principles for high-conductivity Na halide electrolytes.

Wei, Grace [University of California, Berkeley, CA↗
DOE OSTI2023

Theoretical assessments of Pd–PdO phase transformation and its impacts on H 2 O 2 synthesis and decomposition pathways

The direct synthesis of H 2 O 2 from O 2 and H 2 provides a green pathway to produce H 2 O 2 , a popular industrial oxidant. Here, in this study, we theoretically investigate the effects of Pd oxidation states, coordination environments, and particle sizes on primary H 2 O 2 selectivities, assessed by calculating the ratio of rate constants for the formation of H 2 O 2 (via OOH* reduction; k O–H ) and the decomposition of OOH* (via O–O cleavage; k O–O ). For Pd metals, the k O–H /k O–O ratio decreased from 10 -4 for Pd(111) to 10 -10 for the Pd 13 cluster at 300 K, indicating poorer H 2 O 2 selectivity as Pd particle size decreases and low primary selectivities for H 2 O 2 overall. As the oxygen chemical potential increases and metals form surface and bulk oxides, the perturbation of Pd–Pd ensemble sites by lattice O atoms results in selectivities that become dramatically higher than unity. For instance, at 300 K, the k O–H /k O–O ratio increases significantly from 10 -4 to 10 9 to 10 16 as Pd(111) oxidizes to Pd 5 O 4 /Pd(111) and to PdO(100), respectively. In contrast, such selectivity enhancements are not observed for surface and bulk oxides that persistently contain rows of more metallic, undercoordinated Pd–Pd ensemble sites, such as PdO(101)/Pd(100) and PdO(101). These Pd–Pd ensembles are also absent when smaller Pd nanoparticles fully oxidize, indicating that smaller PdO clusters can be more selective for H 2 O 2 synthesis. These trends for primary H 2 O 2 selectivities were found to inversely correlate with trends for H 2 O 2 decomposition rates via O–O bond cleavage, demonstrating that catalysts with high primary H 2 O 2 selectivity can also hinder H 2 O 2 decomposition. Ab initio thermodynamic calculations are used to estimate the thermodynamically favored phase among Pd, PdO/Pd and PdO in O 2 , H 2 O 2 /H 2 O, and O 2 /H 2 environments. These results are combined to show that smaller Pd nanoparticles are more prone to be oxidized at lower oxygen chemical potentials, upon which they become more selective than larger Pd particles for H 2 O 2 synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Experimental investigation of internal two-phase flow structures and dynamics of quasi-stable sheet cavitation by fast synchrotron x-ray imaging

The quasi-stable sheet cavitation produced in a small Venturi channel is investigated using a fast synchrotron X-ray imaging technique aided with conventional high speed photography. The use of X-rays instead of visible light solves cavitation opacity related issues, and X-ray phase contrast-based edge enhancement enables high-definition visualization of the internal two-phase morphology. The simultaneous acquisition of time-resolved velocity and void fraction fields through post-processing the recorded X-ray images reveals, for the first time, the complex diphasic flow structures inside the sheet cavity, which is essentially divided into 6 characteristic parts. Distinct from the current mainstream view, the globallysteady sheet cavitation is found to be characterized by a weak but constantly-existing re-entrant flow that can penetrate the entire cavity. The turbulent velocity fluctuations inside the sheet cavity are also investigated. The turbulence level in the reverse flow region is observed to be as low as in the outer main flow demonstrating the relatively steady status of the reentrant flow. Unlike the streamwise and cross-stream fluctuations, the shear stress appears to be weakly correlated with the velocity gradient. The collapse of vapor phase and the vaporization at the upstream cavity interface are found to be the primary causes of shear stress intensification.

42 ENGINEERING↗
DOE OSTI2022

Strain-tunable metamagnetic critical endpoint in Mott insulating rare-earth titanates

Rare-earth titanates are Mott insulators whose magnetic ground state—antiferromagnetic (AFM) or ferromagnetic (FM)—can be tuned by the radius of the rare-earth element. We combine phenomenology and first-principles calculations to shed light on the generic magnetic phase diagram of a chemically substituted titanate on the rare-earth site that interpolates between an AFM and a FM state. Octahedral rotations present in these perovskites cause the AFM order to acquire a small FM component—and vice-versa—removing any multicritical point from the phase diagram. However, for a wide parameter range, a first-order metamagnetic transition line terminating at a critical endpoint survives inside the magnetically ordered phase. Like the liquid-gas transition, a Widom line emerges from the endpoint, characterized by enhanced fluctuations. In contrast to metallic FMs, this metamagnetic transition involves two symmetry-equivalent and insulating canted spin states. Moreover, instead of a magnetic field, we show that uniaxial strain can be used to tune this transition to zero temperature, inducing a quantum critical endpoint.

36 MATERIALS SCIENCE↗
DOE OSTI2024

T staging esophageal tumors with x rays

With histopathology results typically taking several days, the ability to stage tumors during interventions could provide a step change in various cancer interventions. X-ray technology has advanced significantly in recent years with the introduction of phase-based imaging methods. These have been adapted for use in standard labs rather than specialized facilities such as synchrotrons, and approaches that enable fast 3D scans with conventional x-ray sources have been developed. This opens the possibility to produce 3D images with enhanced soft tissue contrast at a level of detail comparable to histopathology, in times sufficiently short to be compatible with use during surgical interventions. In this paper we discuss the application of one such approach to human esophagi obtained from esophagectomy interventions. We demonstrate that the image quality is sufficiently high to enable tumor T staging based on the x-ray datasets alone. Alongside detection of involved margins with potentially life-saving implications, staging tumors intra-operatively has the potential to change patient pathways, facilitating optimization of therapeutic interventions during the procedure itself. Besides a prospective intra-operative use, the availability of high-quality 3D images of entire esophageal tumors can support histopathological characterization, from enabling “right slice first time” approaches to understanding the histopathology in the full 3D context of the surrounding tumor environment.

Optics↗
DOE OSTI2024

Spatially Resolved Near Field Spectroscopy of Vibrational Polaritons at the Small N Limit

Vibrational polaritons, which have been primarily studied in Fabry–Pérot cavities with a large number of molecules (N ~ 10 6 –10 10 ) coupled to the resonator mode, exhibit various experimentally observed effects on chemical reactions. However, the exact mechanism is elusively understood from the theoretical side, as the large number of molecules involved in an experimental strong coupling condition cannot be represented completely in simulations. This discrepancy between theory and experiment arises from computational descriptions of polariton systems typically being limited to only a few molecules, thus failing to represent the experimental conditions adequately. To address this mismatch, we used surface phonon polariton (SPhP) resonators as an alternative platform for vibrational strong coupling. SPhPs exhibit strong electromagnetic confinement on the surface and thus allow for coupling to a small number of molecules. As a result, this platform can enhance nonlinearity and slow down relaxation to the dark modes. In this study, we fabricated a pillar-shaped quartz resonator and then coated it with a thin layer of cobalt phthalocyanine (CoPc). By employing scattering-type scanning near-field optical microscopy (s-SNOM), we spatially investigated the dependency of vibrational strong coupling on the spatially varying electromagnetic field strength and demonstrated strong coupling with 38,000 molecules only–reaching to the small N limit. Through s-SNOM analysis, we found that strong coupling was observed primarily on the edge of the quartz pillar and the apex of the s-SNOM tip, where the maximum field enhancement occurs. In contrast, a weak resonance signal and lack of coupling were observed closer to the center of the pillar. This work demonstrates the importance of spatially resolved polariton systems in nanophotonic platforms and lays a foundation to explore polariton chemistry and chemical dynamics at the small N limit–one step closer to reconcile with high-level quantum calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Comparative Soot Diagnostics: 1 Year Report

The motivation for the Comparative Soot Diagnostics (CSD) experiment lies in the broad practical importance of understanding combustion generated particulate. Depending upon the circumstances, particulate matter can affect the durability and performance of combustion equipment, can be a pollutant, can be used to detect fires and, in the form of soot, can be the dominant source of radiant energy from flames. Bright sooty fires are desirable for efficient energy extraction in furnaces and power equipment. In contrast, soot-enhanced radiation is undesirable in many propulsion systems (e.g. jet engines). The non-buoyant structure of most flames of practical interest (turbulent) makes understanding of soot processes in low gravity flames important to our ability to predict fire behavior on earth. These studies also have direct applications to fire safety in human-crew spacecraft, since smoke is the indicator used for automated detection in current spacecraft. In addition, recent tests conducted on MIR showed that a candle in a truly quiescent spacecraft environment can burn for tens of minutes. Consequently, this test and many earlier tests have demonstrated that fires in spacecraft can be considered a credible risk. In anticipation of this risk, NASA has included fire detectors on Skylab, smoke detectors on the Space Shuttle (STS), and smoke detectors in the design for the International Space Station (ISS). In the CSD experiment, these smoke detectors were tested using, quasi-steady, low-gravity, particulate generating materials. Samples of the particulate were also obtained from these low-gravity sources. This experiment provides the first such measurements aimed toward understanding of soot processes here on earth and for the testing and design of advanced spacecraft smoke detection systems. This paper describes the operation and preliminary results of the CSD experiment which was was conducted in the Middeck Glovebox Facility (MGBX) on USMP-3. The objectives of CSD are to examine the particulate emission from a variety of pyrolyzing and combusting sources and to quantify the performance of several particulate-sensing diagnostic techniques. This paper presents the results of the microgravity portion of the CSD experiment. The results include the temporal response of the detectors and average sizes of the primary and aggregate particles captured on the thermophoretic probes. Complete assessment of the microgravity data and its combination with the normal-gravity data are still in process.

Urban, David L.↗
NASA NTRS2003

Corrosion Inhibitors as Penetrant Dyes for Radiography

Liquid/vapor-phase corrosion inhibitors (LVCIs) have been found to be additionally useful as penetrant dyes for neutron radiography (and perhaps also x-radiography). Enhancement of radiographic contrasts by use of LVCIs can reveal cracks, corrosion, and other defects that may be undetectable by ultrasonic inspection, that are hidden from direct optical inspection, and/or that are difficult or impossible to detect in radiographs made without dyes.

Novak, Howard L.↗
NASA NTRS2019

The Role of Thermodynamic Phase Shifts in Cloud Optical Depth Variations with Temperature

We present a novel method that identifies the contributions of thermodynamic phase shifts and processes governing supercooled liquid and ice clouds to cloud optical depth variations with temperature using MODIS observations. Our findings suggest that thermodynamic phase shifts outweigh the net influence of processes governing supercooled liquid and ice clouds in causing increases in mid-latitudinal cold cloud optical depth with temperature. Cloud regime analysis suggests that dynamical conditions appear to have less influence on the contribution of thermodynamic phase shifts to cloud optical depth variations with temperature. Thermodynamic phase shifts also contribute more to increases in cloud optical depth during colder seasons due to the enhanced optical thickness contrast between liquid and ice clouds. The results of this study highlight the importance of thermodynamic phase shifts in explaining cold cloud optical depth increases with temperature in the current climate and may elucidate their role in the cloud optical depth feedback.

cloud optical depth↗
NASA NTRS1977

Heat Acclimation and Water-Immersion Deconditioning: Fluid Electrolyte Shifts with Tilting

One of the major problems encountered by astronauts exposed to space flight is a reduction of orthostatic tolerance on return to earth. Many studies have been performed in an attempt to define the physiologic mechanism of orthostatic intolerance and to develop some remedial treatment. Exercise training does not appear to enhance orthostatic tolerance . In contrast, heat acclimation (i.e., exercise training in the heat) has been reported to enhance orthostatic tolerance. Since plasma volume increases with both exercise training and heat acclimation, it is not clear what role fluid and electrolytes play in determining tolerance to hydrostatic pressure. The purpose of this study was to compare the effects of exercise training in a cool environment and heat acclimation on resting plasma volume (PV) and the ensuing fluid and electrolyte shifts which occur during head-up tilting before and after water immersion deconditioning.

Conertino, V. A.↗
DOE OSTI2022

Design of proton deflectometry with in situ x-ray fiducial for magnetized high-energy-density systems

We report a design and implementation of proton deflectometry with an in situ reference x-ray image of a mesh to precisely measure non-uniform magnetic fields in expanding plasmas at the OMEGA and OMEGA EP laser facilities. The technique has been developed with proton and x-ray sources generated from both directly driven capsule implosions and short pulse laser–solid interactions. The accuracy of the measurement depends on the contrast of both the proton and x-ray images. Here we present numerical and analytic studies to optimize the image contrast using a variety of mesh materials and grid spacings. Our results show clear enhancement of the image contrast by factors of four to six using a high Z mesh with large grid spacing. This leads to further improvement in the accuracy of the magnetic field measurement using this technique in comparison with its first demonstration at the OMEGA laser facility [Rev. Sci. Instrum. 93, 023502 (2022) [CrossRef]].

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Distinct drivers of recent seasonal precipitation increase over Central Asia: roles of anthropogenic aerosols and greenhouse gases

Observational evidence reveals a pronounced wetting trend over Central Asia in recent decades, with the most substantial increases occurring during winter and summer. Yet the extent to which the drivers of these changes differ seasonally remains unknown. Here, we use single-forcing experiments from the Precipitation Driver and Response Model Intercomparison Project (PDRMIP) to examine the effects of various external forcings on winter and summer precipitation across Central Asia and to explore the physical mechanisms underlying seasonal precipitation changes. We find that greenhouse gas (GHG) forcing mainly increases winter precipitation by enhancing atmospheric moisture content through warming. In contrast, in summer, Asian sulfate aerosols enhance precipitation by modulating the westerly jet, which strengthens atmospheric moisture transport into the region. Asian black carbon exerts an opposing influence that partially offsets the sulfate-induced effect. Further attribution analysis based on CMIP6 simulations reinforces these sensitivity results and shows that GHG forcing is the primary driver of winter precipitation increases whereas anthropogenic aerosols dominate summer trends. Future CMIP6 projections suggest that under moderate- to high-emission scenarios, winter precipitation will continue to rise due to increasing GHG concentrations, while summer precipitation may decline across much of Central Asia as a result of reduced aerosol emissions following Asian clean air policies. These findings highlight a distinct seasonality in the drivers of recent precipitation increase and suggest a plausible divergence in future winter and summer precipitation trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Deep Multimodal Networks for M-type Star Classification with Paired Spectrum and Photometric Image

Abstract Traditional stellar classification methods include spectral and photometric classification separately. Although satisfactory results can be achieved, the accuracy could be improved. In this paper, we pioneer a novel approach to deeply fuse the spectra and photometric images of the sources in an advanced multimodal network to enhance the model’s discriminatory ability. We use Transformer as the fusion module and apply a spectrum–image contrastive loss function to enhance the consistency of the spectrum and photometric image of the same source in two different feature spaces. We perform M-type stellar subtype classification on two data sets with high and low signal-to-noise ratio (S/N) spectra and corresponding photometric images, and the F1-score achieves 95.65% and 90.84%, respectively. In our experiments, we prove that our model effectively utilizes the information from photometric images and is more accurate than advanced spectrum and photometric image classifiers. Our contributions can be summarized as follows: (1) We propose an innovative idea for stellar classification that allows the model to simultaneously consider information from spectra and photometric images. (2) We discover the challenge of fusing low-S/N spectra and photometric images in the Transformer and provide a solution. (3) The effectiveness of Transformer for spectral classification is discussed for the first time and will inspire more Transformer-based spectral classification models.

Astronomy & Astrophysics↗
DOE OSTI2023

Robust Optimized Pulse Schemes for Atomic Fountain Interferometry

The robustness of an atomic fountain interferometer with respect to variations in the initial velocity of the atoms and deviations from the optimal pulse amplitude is examined. We numerically simulate the dynamics of an interferometer in momentum space with a maximum separation of and map out the expected signal contrast depending on the variance of the initial velocity distribution and the value of the laser field amplitude. We show that an excitation scheme based on rapid adiabatic passage significantly enhances the expected signal contrast, compared to the commonly used scheme consisting of a series of and pulses. We demonstrate further substantial increase of the robustness by using optimal control theory to identify splitting and swapping pulses that perform well on an ensemble average of pulse amplitudes and velocities. Our results demonstrate the ability of optimal control to significantly enhance future implementations of atomic fountain interferometry.

74 ATOMIC AND MOLECULAR PHYSICS↗