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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Laser irradiation of carbon nanotube films: Effects and heat dissipation probed by Raman spectroscopy

We investigate the thermal properties of thin films formed by single- and multi-walled carbon nanotubes submitted to laser irradiation using Raman scattering as a probe of both the tube morphology and the local temperature. The nanotubes were submitted to heating/cooling cycles attaining high laser intensities ({approx}1.4 MW/cm{sup 2}) under vacuum and in the presence of an atmosphere, with and without oxygen. We investigate the heat diffusion of the irradiated nanotubes to their surroundings and the effect of laser annealing on their properties. The presence of oxygen during laser irradiation gives rise to an irreversible increase of the Raman efficiency of the carbon nanotubes and to a remarkable increase of the thermal conductivity of multi-walled films. The second effect can be applied to design thermal conductive channels in devices based on carbon nanotube films using laser beams.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Phase transitions, dielectric properties, and vibrational study of stannates perovskites Sr{sub 1−x}Er{sub x}SnO{sub 3−δ}

Graphical abstract: The diffuseness of the phase transition of the Sr{sub 1−x}Er{sub x}SnO{sub 3−δ} enhances with the increasing of erbium content. These compounds were found to undergo phase transitions with increasing temperature. - Highlights: • Substitution Sr/Er in the alkaline earth cage modifies the thermally induced disorder. • Two phase transitions have been observed by DSC. • The dielectric constant increases with erbium substitution. • Dielectric loss increases exponentially with temperature. • The conductivity contribution is mainly due to hopping process. - Abstract: A polycrystalline stannates perovskites Sr{sub 1−x}Er{sub x}SnO{sub 3−δ} (x = 0.00, 0.01 and 0.03) were synthesized by sol–gel method and their vibrational properties were investigated using Raman scattering. The substitution of Er in the Sr site, results in a slight change of the position of the Raman spectrum bands. The differential scanning calorimetry (DSC) shows two phase transitions at 532 K and 634 K for Sr{sub 0.99}Er{sub 0.01}SnO{sub 3−δ}. The dielectric behavior of each solid solution (x = 0.01 and x = 0.03) has been studied as a function of temperature and frequency and has confirmed the observed phase transitions. The diffuseness of the phase transitions of these materials enhances with the increasing of erbium content. The dielectric constant showed a strong increase near the phase transitions temperature which value depends with frequency. This phenomenon is usually observed in relaxor materials. The conduction and the dielectric relaxation are attributed to hopping of electrons among Sn{sup 2+} and Sn{sup 4+} ions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structure and Dynamics of Aqueous Electrolytes Confined in 2D-TiO 2 /Ti 3 C 2 T 2 MXene Heterostructures

The synthesis of heterostructures of different two-dimensional (2D) materials offers an approach to combine advantages of different materials constituting the heterostructure and ultimately enhance their performance for applications such as electrochemical energy storage, achieving high energy, and high-power densities. Understanding the behavior of ions and solvents in confinement between these dissimilar layers is critical to understand their performance and control. Considering aqueous electrolytes, we explore the heterostructure of 2D lepidocrocite-type TiO 2 (2D-TiO 2 ) and hydroxylated or O-terminated Ti 3 C 2 MXene using ReaxFF molecular dynamics simulations and elastic/quasielastic neutron scattering techniques. Simulating a bilayer water intercalation, we find that the extent of interlayer hydration is impacted most by the surface terminations on the MXene and is marginally affected by 2D-TiO 2 . However, the introduction of 2D-TiO 2 decreases the water self-diffusion due to the notch sites (i.e., surface oxygen ridges) entrapping water molecules. Intercalating alkali cations into the heterostructures, we find that Li + is predominantly adsorbed at the 2D-TiO 2 surface instead of the MXenes with the preferential occupation of the notch sites. In contrast, Na+ forms a planar solvation with water, while K + is adsorbed both at the O-terminated MXene and 2D-TiO 2 . This behavior is altered when OH-terminated MXene is involved—the repulsion from the protons on the MXene surface forces the K + ions to be adsorbed exclusively to 2D-TiO 2 , while Na + retains some of its solvation in the water layer due to its smaller size. In OH-terminated MXenes, we see a consistent transfer of protons from the MXene surface toward 2D-TiO 2 , implying a greater capacity to store protons in the heterostructures. Of the three cations simulated, Na + hinders the proton migration the least and Li + the most because of its position near the 2D-TiO 2 surface. Furthermore, 2D-TiO 2 /MXene heterostructures are likely to exhibit a higher energy density but lower power density, especially with Na + intercalation.

25 ENERGY STORAGE↗
DOE OSTI2026

Conformational Isomerization of Imide Anions Governs Solvation and Transport in Water-in-Salt Electrolytes

The behavior of highly concentrated electrolytes departs radically from the dilute-solution theory, yet the molecular origin of this transformation remains unresolved. Here, we identify the conformational isomerization of molecular ions as a decisive, previously unrecognized control parameter governing structure and transport in crowded aqueous electrolytes. Across a series of fluorosulfonimide anions, we show that increasing concentration drives a collective shift from extended transoid to compact cisoid conformers, revealed by small-angle X-ray scattering, vibrational spectroscopy, pulsed-field gradient NMR, and molecular dynamics simulations. This conformational transition triggers a collapse of the hydrogen-bonded water network and the emergence of densely packed ionic domains with confined water, producing a qualitative change in Li+ transport from solvent-mediated diffusion to network-confined hopping. Anion size and asymmetry systematically tune the onset of this transition, demonstrating that molecular geometry dictates mesoscale organization and dynamics in the ion-rich regime. Our results establish ion conformation, not merely composition or coordination, as a fundamental thermodynamic variable in concentrated solutions, providing a chemical framework that unifies solvation structure and transport in water-in-salt electrolytes and suggesting new principles for designing dense ionic media.

Nguyen, Huong TD↗
DOE OSTI2018

Structure and dynamics of water confined in nanoporous carbon

We study the structure and dynamics of water confined in a nanoporous graphitic carbon structure using molecular-dynamics (MD) simulations. The carbon structure is generated by a reactive MD simulation of oxidation of a silicon carbide nanoparticle. We embed water molecules in the nanopores and study structural and dynamical properties of nanoconfined water as a function of temperature. MD simulation results indicate the presence of high-density water (HDW) and low-density water. Radial distribution functions and spatial density functions indicate that the second solvation shell of the HDW is broken. We calculate the self-diffusion coefficient of confined water molecules as a function of temperature and find a significant decrease in the diffusion of water molecules around T = 190K. The cage correlation function c(t) of confined water molecules at T = 200K exhibits stretched exponential decay, c(t) = exp[–(t/τ) β ], with β = 0.43, which matches exactly with the theoretical prediction β = 3/7. Finally, the self-intermediate scattering function at T = 200K indicates differences in small-scale and large-scale dynamics of water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phonon localization in heat conduction

Nondiffusive phonon thermal transport, extensively observed in nanostructures, has largely been attributed to classical size effects, ignoring the wave nature of phonons. We report localization behavior in phonon heat conduction due to multiple scattering and interference events of broadband phonons, by measuring the thermal conductivities of GaAs/AlAs superlattices with ErAs nanodots randomly distributed at the interfaces. With an increasing number of superlattice periods, the measured thermal conductivities near room temperature increased and eventually saturated, indicating a transition from ballistic to diffusive transport. In contrast, at cryogenic temperatures the thermal conductivities first increased but then decreased, signaling phonon wave localization, as supported by atomistic Green's function simulations. The discovery of phonon localization suggests a new path forward for engineering phonon thermal transport.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dark Matter-Electron Interactions Alter the Luminosity and Spectral Index of M87

We investigate the possibility that cosmic-ray electron cooling through dark matter-electron scatterings contributes to the low radiative efficiency observed in radio-loud galaxies such as M87. Light dark matter can scatter efficiently off electrons in M87, lowering the observed bolometric luminosity compared to astrophysical expectations. This consideration allows us to probe previously unexplored regions of the parameter space of dark matter-electron interactions. We further model the cosmic-ray electron distribution by numerically solving a diffusion equation along the jet and find that efficient dark matter-electron interactions can induce a flattening of the spectral index at different distances from the central supermassive black hole, in better alignment with radio observations from M87.

Hussein, Abdelaziz [MIT] (ORCID:0000000255608668)↗
DOE OSTI2018

Advanced Characterization Techniques for Sodium-Ion Battery Studies

Sodium (Na)-ion batteries (NIBs) are considered promising alternative candidates to the well-commercialized lithium-ion batteries, especially for applications in large-scale energy storage systems. The electrochemical performance of NIBs such as the cyclability, rate capability, and voltage profiles are strongly dependent on the structural and morphological evolution, phase transformation, sodium-ion diffusion, and electrode/electrolyte interface reconstruction during charge–discharge cycling. Therefore, in-depth understanding of the structure and kinetics of electrode materials and the electrode/electrolyte interfaces is essential for optimizing current NIB systems and exploring new materials for NIBs. Recently, rapid progress and development in spectroscopic, microscopic, and scattering techniques have provided extensive insight into the nature of structural evolution, morphological changes of electrode materials, and electrode/electrolyte interface in NIBs. Here in this review, a comprehensive overview of both static (ex situ) and real-time (in situ or in operando) techniques for studying the NIBs is provided. Lastly, special focus is placed on how these techniques are applied to the fundamental investigation of NIB systems and what important results are obtained.

25 ENERGY STORAGE↗
DOE OSTI2018

Extended hierarchical solvent perturbations from curved surfaces of mesoporous silica particles in a deep eutectic solvent

Here, many applications of deep eutectic solvents (DES) rely on exploitation of their unique yet complex liquid structures. Due to the ionic nature of the DES components, their diffuse structures are perturbed in the presence of a charged surface. We hypothesize that it is possible to perturb the bulk DES structure far (> 100 nm) from a curved, charged surface with mesoscopic dimensions. We performed in situ, synchrotron-based ultra-small angle X-ray scattering (USAXS) experiments to study the solvent distribution near the surface of charged mesoporous silica particles (MPS) (≈ 0.5 µm in diameter) suspended in both water and a common type of DES (1:2 choline Cl-:ethylene glycol). A careful USAXS analysis reveals that the perturbation of electron density distribution within the DES extends ≈ 1 μm beyond the particle surface, and that this perturbation can be manipulated by the addition of salt ions (AgCl). The concentration of the pore-filling fluid is greatly reduced in the DES. Notably, we extracted the real-space structures of these fluctuations from the USAXS data using a simulated annealing approach that does not require a priori knowledge about the scattering form factor, and can be generalized to a wide range of complex small-angle scattering problems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modeling the Simultaneous Dropout of Energetic Electrons and Protons by Magnetopause Shadowing

Abstract Magnetopause shadowing (MPS) effect could drive a concurrent dropout of radiation belt electrons and ring current protons. However, its relative role in the dropout of both plasma populations has not been well quantified. In this work, we study the simultaneous dropout of MeV electrons and 100s keV protons during an intense geomagnetic storm in May 2017. A radial diffusion model with an event‐specific last closed drift shell is used to simulate the MPS loss of both populations. The model well captures the fast shadowing loss of both populations at L * > 4.6, while the loss at L * < 4.6, possibly due to the electromagnetic ion cyclotron wave scattering, is not captured. The observed butterfly pitch angle distributions of electron fluxes in the initial loss phase are well reproduced by the model. The initial proton losses at low pitch angles are underestimated, potentially also contributed by other mechanisms such as field line curvature scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Signatures of a liquid-crystal transition in spin-wave excitations of skyrmions

Abstract Understanding the spin-wave excitations of chiral magnetic order, such as the skyrmion crystal (SkX), is of fundamental interest to confirm such exotic magnetic order. The SkX is realized by competing Dzyaloshinskii-Moriya and ferromagnetic-exchange interactions with a magnetic field or anisotropy. Here, we compute the dynamical spin structure factor, using Monte Carlo and spin dynamics simulations, extracting the spin-wave spectrum in the SkX, in the vicinity of the paramagnet to SkX transition. Inside the SkX, we find six spin-wave modes, which are supplemented by another mode originating from the ferromagnetic background. Above the critical temperature T s for the skyrmion crystallization, we find a diffusive regime, reminiscent of the liquid-to-crystal transition, revealing that topological spin texture of skyrmionic character starts to develop above T s as the precursor of the SkX. We discuss the opportunities for the detection of the spin waves of the SkX using inelastic-neutron-scattering experiments in manganite-iridate heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

BROAD BALMER WINGS IN BA HYPER/SUPERGIANTS DISTORTED BY DIFFUSE INTERSTELLAR BANDS: FIVE EXAMPLES IN THE 30 DORADUS REGION FROM THE VLT-FLAMES TARANTULA SURVEY

Extremely broad emission wings at Hβ and Hα have been found in VLT-FLAMES Tarantula Survey data for five very luminous BA supergiants in or near 30 Doradus in the Large Magellanic Cloud. The profiles of both lines are extremely asymmetrical, which we have found to be caused by very broad diffuse interstellar bands (DIBs) in the longward wing of Hβ and the shortward wing of Hα. These DIBs are well known to interstellar but not to many stellar specialists, so that the asymmetries may be mistaken for intrinsic features. The broad emission wings are generally ascribed to electron scattering, although we note difficulties for that interpretation in some objects. Such profiles are known in some Galactic hyper/supergiants and are also seen in both active and quiescent Luminous Blue Variables (LBVs). No prior or current LBV activity is known in these 30 Dor stars, although a generic relationship to LBVs is not excluded; subject to further observational and theoretical investigation, it is possible that these very luminous supergiants are approaching the LBV stage for the first time. Their locations in the HRD and presumed evolutionary tracks are consistent with that possibility. The available evidence for spectroscopic variations of these objects is reviewed, while recent photometric monitoring does not reveal variability. A search for circumstellar nebulae has been conducted, with an indeterminate result for one of them.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A Novel Experimental Approach to Understand the Transport of Nanodrugs

Nanoparticle-based drugs offer attractive advantages like targeted delivery to the diseased site and size and shape-controlled properties. Therefore, understanding the particulate flow of the nanodrugs is important for effective delivery, accurate prediction of required dosage, and developing efficient drug delivery platforms for nanodrugs. In this study, the transport of nanodrugs including flow velocity and deposition is investigated using three model metal oxide nanodrugs of different sizes including iron oxide, zinc oxide, and combined Cu-Zn-Fe oxide synthesized via a modified polyol approach. The hydrodynamic size, size, morphology, chemical composition, crystal phase, and surface functional groups of the water-soluble nanodrugs were characterized via dynamic light scattering, transmission electron microscopy, scanning electron microscopy-energy dispersive X-ray, X-ray diffraction, and fourier transform infrared spectroscopy, respectively. Two different biomimetic flow channels with customized surfaces are developed via 3D printing to experimentally monitor the velocity and deposition of the different nanodrugs. A diffusion dominated mechanism of flow is seen in size ranges 92 nm to 110 nm of the nanodrugs, from the experimental velocity and mass loss profiles. The flow velocity analysis also shows that the transport of nanodrugs is controlled by sedimentation processes in the larger size ranges of 110–302 nm. However, the combined overview from experimental mass loss and velocity trends indicates presence of both diffusive and sedimentation forces in the 110–302 nm size ranges. It is also discovered that the nanodrugs with higher positive surface charges are transported faster through the two test channels, which also leads to lower deposition of these nanodrugs on the walls of the flow channels. The results from this study will be valuable in realizing reliable and cost-effective in vitro experimental approaches that can support in vivo methods to predict the flow of new nanodrugs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fourier analysis of continuous fractional diffusion synthetic acceleration schemes in slab geometry

We propose two fractional extensions of continuous diffusion synthetic acceleration (DSA) with fractional derivative order α varying over the interval 2 ≥ α ≥ 1 . We investigate the spectral properties of the corresponding continuous families of fractional preconditioners by performing Fourier analysis for a model infinite homogeneous medium problem in slab geometry. The first family results in a fractional acceleration scheme, FrDSAo, that reduces to traditional DSA for .α = 2 and scattering ratio c limiting to a unit value (c → 1) but is otherwise optimized via the Fourier analysis, to obtain the smallest possible spectral radius, for c < 1 and 2 ≥ α ≥ 1. The second family corresponds to a fractional acceleration scheme, FrDSAs, that reduces to traditional DSA for α = 2 for all values of c. The latter scheme is not optimized but has the advantage of lending itself to a more straightforward implementation. For high values of c, the results of the Fourier analysis point to the existence of an interval 2 > α > ∼1.8 where both FrDSAo and FrDSAs can achieve a lower spectral radius than DSA. For example, DSA has a spectral radius of ∼0.2246 for c = 0.9999 while FrDSAo produces a value of ∼0.1616 at α = 1.92 and FrDSAs results in ∼0.2116 at α =1.93. (author)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Informing the improvement of forest products durability using small angle neutron scattering

A better understanding of how wood nanostructure swells with moisture is needed to accelerate the development of forest products with enhanced moisture durability. Despite its suitability to study nanostructures, small angle neutron scattering (SANS) remains an underutilized tool in forest products research. Nanoscale moisture-induced structural changes in intact and partially cut wood cell walls were investigated using SANS and a custom-built relative humidity (RH) chamber. SANS from intact wood sections cut from each primary wood orientation showed that although wood scattered anisotropically across 1.3–600 nm length scales, measurement of elementary fibril spacing and low-q surface scattering were independent of orientation. Water sorption caused spacing between elementary fibrils to increase with RH, and this swelling accounted for over half the transverse swelling in S2 secondary wood cell walls. Elementary fibril spacing in longitudinally cut wood cells, which were designed to mimic cells near wood-adhesive bondlines, was greater than the spacing in intact cells above 90 % RH. This suggested that some cell wall hoop constraint from the S1 and S3 cell wall layers on the S2 layer was released by cutting the cells. Furthermore, increased spacing between elementary fibrils may also create diffusion channels that are hypothesized to be responsible for the onset of fungal decay in wood. Finally, protocols were established to use SANS in future research to study adhesives and protection treatments to improve moisture durability in forest products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Understanding Anion, Water, and Methanol Transport in a Polyethylene- b -poly(vinylbenzyl trimethylammonium) Copolymer Anion-Exchange Membrane for Electrochemical Applications

Herein, we report the anion and water transport properties of an anion-exchange membrane (AEM) comprising a block copolymer of polyethylene and poly- (vinylbenzyl trimethylammonium) (PE-b-PVBTMA) with an ion-exchange capacity (IEC) of 1.08 mequiv/g. The conductivity varied little among the anions CO3 2-, HCO3 -, and F-, with a value of Ea ≈ 20 kJ/mol and a maximum fluoride conductivity of 34 mS/cm at 90 °C and 95% relative humidity. The Br- conductivity showed a transition at 60 °C. Pulsed gradient stimulated spin echo nuclear magnetic resonance (PGSE NMR) experiments showed that water diffusion in this AEM is heterogeneous and is affected by the anion present, being fastest in the presence of F-. We determined the methanol self-diffusion in this membrane and observed that it is lower than that in Nafion 117, because of the lower water uptake. This article reports the first measurements of 13C-labeled bicarbonate self-diffusion in an AEM using PGSE NMR spectrometry, which was found to be significantly slower than F- self-diffusion. Back-calculation of the bicarbonate conductivity using the Nernst-Einstein equation gave a value that was significantly lower than the measured value, implying that bicarbonate transport involves OH- in the transport mechanism. Fourier transform infrared spectroscopy, PGSE NMR spectrometry, and small-angle X-ray scattering (SAXS) indicated the presence of different types of waters present in the membrane at different length scales. The SAXS data indicated that there is a water-rich region within the hydrophilic domains of the polymer that has a temperature dependence in intensity at 95% relative humidity (RH).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Temperature dependence of nanoscale dynamic processes measured in living millipedes by high resolution inelastic and elastic neutron scattering

We have used high energy-resolution neutron scattering to probe nanoscale dynamic processes in living millipedes (Narceus americanus). We have measured the temperature dependence of the intensity of scattered neutrons that do not exchange energy with the living samples on the 1.5 ns time scale, thereby excluding the signal from the highly mobile intra- and extra-cellular bulk-like aqueous constituents in the sample. This measured “elastic” scattering intensity reflects a non-monotonic temperature dependence, with a noticeable systematic decrease detected between 295 and 303 K on warming up from 283 to 310 K. This decrease demonstrates an excellent inverse correlation with the non-monotonic, as a function of temperature, increase in the slow diffusivity previously observed in planarian flatworms and housefly larvae. This correlation indicates the existence of a biological mechanism, possibly common between different classes (Insects and Myriapods) and even phyla (Arthropods and Platyhelminthes), that dampens the slow nanoscopic dynamics in ectothermic organisms in response to the temperature of the environment exceeding the physiologically optimal range.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

DIFFUSE ATOMIC AND MOLECULAR GAS IN THE INTERSTELLAR MEDIUM OF M82 TOWARD SN 2014J

We present a comprehensive analysis of interstellar absorption lines seen in moderately high resolution, high signal-to-noise ratio optical spectra of SN 2014J in M82. Our observations were acquired over the course of six nights, covering the period from ∼6 days before to ∼30 days after the supernova reached its maximum B-band brightness. We examine complex absorption from Na I, Ca II, K I, Ca I, CH{sup +}, CH, and CN, arising primarily from diffuse gas in the interstellar medium (ISM) of M82. We detect Li I absorption over a range in velocity consistent with that exhibited by the strongest Na I and K I components associated with M82; this is the first detection of interstellar Li in a galaxy outside of the Local Group. There are no significant temporal variations in the absorption-line profiles over the 37 days sampled by our observations. The relative abundances of the various interstellar species detected reveal that the ISM of M82 probed by SN 2014J consists of a mixture of diffuse atomic and molecular clouds characterized by a wide range of physical/environmental conditions. Decreasing N(Na I)/N(Ca II) ratios and increasing N(Ca I)/N(K I) ratios with increasing velocity are indicative of reduced depletion in the higher-velocity material. Significant component-to-component scatter in the N(Na I)/N(Ca II) and N(Ca I)/N(Ca II) ratios may be due to variations in the local ionization conditions. An apparent anti-correlation between the N(CH{sup +})/N(CH) and N(Ca I)/N(Ca II) ratios can be understood in terms of an opposite dependence on gas density and radiation field strength, while the overall high CH{sup +} abundance may be indicative of enhanced turbulence in the ISM of M82. The Li abundance also seems to be enhanced in M82, which supports the conclusions of recent gamma-ray emission studies that the cosmic-ray acceleration processes are greatly enhanced in this starburst galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗