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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Aluminum Based Solvent-Free Organic–Inorganic Hybrid Materials

In emerging materials, molecular hybrids are especially promising, as they have molecular level mixing of the organic and inorganic components, producing homogeneous materials without interfaces that can deteriorate properties. However, the current methods of manufacturing molecular hybrids are based on solution processing, which is impractical for bulk materials such as may be used for optically clear radiation and electromagnetic shielding components or photonics. Here we examine molecular hybrids composed of aluminum isopropoxide (AIP) and epoxy resins aiming to understand the molecular scale chemistry and manufacturability of these hybrid materials. DSCmonitored cure revealed the ideal cure temperature for these materials is 160−170 °C and demonstrated that an AIP concentration of 16.7 wt % maximizes the extent of reaction. Kinetic analysis of the curing reaction showed the Sestak−Berggren autocatalytic model is effective at temperatures over 140 °C but the reaction has diffusion limitations at a temperature of 120 °C. Mechanical testing with custom resin molds revealed a decrease in properties of the bulk samples with increasing AIP content due to an increase in defects but further testing with nanoindentation demonstrated comparable or improved mechanical properties of AIP-epoxy hybrids compared to epoxy resin with a standard hardener. Ultimately, this work lays the foundation for hardener-free epoxy-aluminum inorganic/organic hybrids and presents opportunities to expand on properties for specific applications such as thermal conductivity, optical clarity, and dielectric constant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Periodic domain inversion in x-cut single-crystal lithium niobate thin film

We report the fabrication of periodically poled domain patterns in x-cut lithium niobate thin-film. Here, thin films on insulator have drawn particular attention due to their intrinsic waveguiding properties offering high mode confinement and smaller devices compared to in-diffused waveguides in bulk material. In contrast to z-cut thin film lithium niobate, the x-cut geometry does not require back electrodes for poling. Further, the x-cut geometry grants direct access to the largest nonlinear and electro-optical tensor element, which overall promises smaller devices. The domain inversion was realized via electric field poling utilizing deposited aluminum top electrodes on a stack of LN thin film/SiO{sub 2} layer/Bulk LN, which were patterned by optical lithography. The periodic domain inversion was verified by non-invasive confocal second harmonic microscopy. Our results show domain patterns in accordance to the electrode mask layout. The second harmonic signatures can be interpreted in terms of spatially, overlapping domain filaments which start their growth on the +z side.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Gamma-Rays from Kilonovae and the Cosmic Gamma-Ray Background

The recent detection of the gravitational-wave event GW170817, produced by the coalescence of two neutron stars, and of its optical–infrared counterpart, powered by the radioactive decay of r-process elements, has opened a new window onto gamma-ray astronomy: the direct detection of photons coming from such decays. In this work, we calculate the contribution of kilonovae to the diffuse gamma-ray background in the MeV range, using recent results on the spectra of the gamma-rays emitted in individual events, and we compare it with that from other sources. We find that the contribution from kilonovae is not dominant in such an energy range, but within current uncertainties, and its addition to other sources might help to fit the observational data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Color as a tool for quantitative analysis of heterogeneous polymer degradation

Polymers are widely used industry, but degrade due to environmental conditions, such as elevated temperature or radiation. The degradation of polymers is dominated oxidation in oxygenated environments. Such oxidation is commonly referred to as thermal-oxidation or photo-oxidation and in many situations is heterogeneous through thickness of the polymer. While heterogeneous oxidation of polymers is a common phenomenon, the effect on the lifetime of polymers is not well understood as methods to evaluate such oxidation are time consuming and challenging to implement. Here we show a novel method for quantitative evaluation of heterogeneous oxidation in polymers using a fast and accurate color approach. The proposed color approach was observed to improve the efficiency of obtaining heterogenous oxidation profiles in half the time of common approaches, such as indention or Fourier transform infrared spectroscopy. Furthermore, the method was found to produce trends similar to that observed using common approaches and the applicability of the method was verified by mapping oxygen concentration through thickness using energy dispersive X-ray spectroscopy. Lastly, the utility of the proposed method was demonstrated through the generation of an oxidation design space, which is envisioned to assist with designing experiments towards estimation of polymer lifetime. Finally, we anticipate this work to be a starting point for further evaluation of heterogeneous oxidation in polymers using optical properties.

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

Point and extended defects in heteroepitaxial 𝛽−G⁡a 2 ⁢O 3 films

G⁡a 2 ⁢O 3 is emerging as an excellent potential semiconductor for high power and optoelectronic devices. However, the successful development of G⁡a 2⁢ O 3 in a wide range of applications requires a full understanding of the role and nature of its point and extended defects. Here, in this work, high quality epitaxial G⁡a 2 ⁢O 3 films were grown on sapphire substrates by metal-organic chemical vapor deposition and fully characterized in terms of structural, optical, and electrical properties. Then defects in the films were investigated by a combination of depth-resolved Doppler broadening and lifetime of positron annihilation spectroscopies and thermally stimulated emission (TSE). Positron annihilation techniques can provide information about the nature and concentration of defects in the films, while TSE reveals the energy level of defects in the bandgap. Despite very good structural properties, the films exhibit short positron diffusion length, which is an indication of high defect density and long positron lifetime, a sign for the formation of Ga vacancy related defects and large vacancy clusters. These defects act as deep and shallow traps for charge carriers as revealed from TSE, which explains the reason behind the difficulty of developing conductive G⁡a 2 ⁢O 3 films on non-native substrates. Positron lifetime measurements also show nonuniform distribution of vacancy clusters throughout the film depth. Further, the work investigates the modification of defect nature and properties through thermal treatment in various environments. It demonstrates the sensitivity of G⁡a 2 ⁢O 3 microstructures to the growth and thermal treatment environments and the significant effect of modifying defect structure on the bandgap and optical and electrical properties of G⁡a 2 ⁢O 3 .

defects↗
DOE OSTI2020

3D printed transparent ceramic YAG laser rods: Matching the core-clad refractive index

Yttrium Aluminum Garnet (YAG) solid state laser gain media rods with an active Neodymium-doped core and an optically-clear cladding region were additively manufactured via direct-ink-writing (DIW), followed by sintering and hot isostatic pressing to form fully dense optical ceramics. Lutetium and Gadolinium were chosen as optically-inert co-doping ions in the clad to match the increase in refractive index caused by the Neodymium in the core. Additionally, either 11.6% Lutetium or 3.8% Gadolinium can be used to match the index change from 2% neodymium; however, differences in diffusion distances across the core-clad interface lead to large fluctuations in index in that region. These index fluctuations can be minimized either by matching dopants with similar diffusion distances, or by implementing a gradual gradient in the doping profile, possible through DIW, rather than a sharp compositional interface attainable via more standard fabrication methods. This improvement in index homogeneity resulted in a 40% improvement in lasing performance compared with that of a core-clad rod fabricated with a sharp interface between the doped and undoped regions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding interfacial chemistry of positive bias high-voltage degradation in photovoltaic modules

Photovoltaic module degradation from a high system voltage is a prevalent degradation mode in the field, where the enabling degradation mechanisms are inherently dependent on the voltage bias polarity of the installed system. In this study, the effects of positive bias on module performance are confirmed and the underlying chemical degradation processes are more thoroughly investigated to reveal different degradation pathways from those previously reported in negative bias studies. When cells are under +1000 V stress, crystalline silicon mini-modules with poly(ethylene-co-vinyl acetate) (EVA) encapsulant demonstrated a significant photocurrent loss due to EVA discoloration and delamination from increased chemical reactivity at the front-side EVA/cell metallization interface. Brown discoloration of the EVA encapsulant near the cell gridlines is linked to an electrochemical reaction at the Ag gridlines under hot and humid conditions (85 °C, 85% relative humidity). Chemical compositional analysis using X-ray photoelectron spectroscopy (XPS) confirmed that the discoloration is attributed to the formation of silver sulfide (Ag 2 S) and/or silver oxide (Ag 2 O) species at the EVA/Ag gridline interface. The subsequent migration of Ag ions from the cell gridlines into the bulk of the EVA was evident from XPS depth profiling and optical microscopy. However, the Ag signal was not detected at the EVA/glass interface, inferring limited ionic transport through the nominally 0.45 mm thick encapsulant. For the samples studied herein, the sulfur is believed by the process of elimination to come from the ambient air, diffusing into the module through the permeable polymer backsheet.

14 SOLAR ENERGY↗
DOE OSTI2026

Collapse of Jahn-Teller phonons in La 1−x Sr x MnO 3 with weak magnetoresistance

Perovskite manganites are quantum materials exhibiting competing interactions inducing colossal magnetoresistance (CMR). The prevailing theory of CMR highlights the essential role of electron-phonon coupling (EPC), but mounting evidence suggests the underlying mechanism is more complicated. Here, we investigate phonons and spin-phonon coupling in ferromagnetic CMR manganites La 1−x Sr x MnO 3 (x=0.2,0.3) with relatively small CMR associated with melting of the magnetic order above room temperature. High-resolution neutron scattering experiments combined with density functional theory (DFT) show that the low-temperature ferromagnetic phase is conventional: neutron scattering from phonons agrees with DFT predictions and magnons follow sinusoidal dispersions. Fluctuating magnetic moments and low-energy phonons remain conventional in the high-temperature paramagnetic phase, indicating the Mn and La/Sr sublattices are not strongly perturbed by melting of ferromagnetism. In contrast, the Jahn–Teller-active optical oxygen vibrations collapse entirely above the Curie temperature, despite low CMR in these compositions, with some of the lost spectral weight reappearing as quasielastic scattering. We attribute this highly anomalous behavior to giant EPC in the charge and/or orbital channel. It drives cooperative diffusive motion of quasistatic carrier-trapping oxygen sublattice distortions once ferromagnetism disappears. We hypothesize the magnitude of magnetoresistance correlates with the rate of diffusion rather than with the strength of Jahn–Teller EPC.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Comparing Submillimeter Polarized Emission with Near-infrared Polarization of Background Stars for the Vela C Molecular Cloud

We present a large-scale combination of near-infrared (near-IR) interstellar polarization data from background starlight with polarized emission data at submillimeter wavelengths for the Vela C molecular cloud. The near-IR data consist of more than 6700 detections probing a range of visual extinctions between 2 and 20 mag in and around the cloud. The submillimeter data were collected in Antarctica by the Balloon-borne Large Aperture Submillimeter Telescope for Polarimetry. This is the first direct combination of near-IR and submillimeter polarization data for a molecular cloud aimed at measuring the “polarization efficiency ratio” (R{sub eff}), a quantity that is expected to depend only on grain-intrinsic physical properties. It is defined as p{sub 500}/(p{sub I}/τ{sub V}), where p {sub 500} and p {sub I} are polarization fractions at 500 μm and the I band, respectively, and τ{sub V} is the optical depth. To ensure that the same column density of material is producing both polarization from emission and from extinction, we conducted a careful selection of near-background stars using 2MASS, Herschel, and Planck data. This selection excludes objects contaminated by the Galactic diffuse background material as well as objects located in the foreground. Accounting for statistical and systematic uncertainties, we estimate an average R{sub eff} value of 2.4 ± 0.8, which can be used to test the predictions of dust grain models designed for molecular clouds when such predictions become available. The ratio R{sub eff} appears to be relatively flat as a function of the cloud depth for the range of visual extinctions probed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Spatial Separation of Carrier Spin by the Valley Hall Effect in Monolayer WSe 2 Transistors

We investigate the valley Hall effect (VHE) in monolayer WSe 2 field-effect transistors using optical Kerr rotation measurements at 20 K. While studies of the VHE have so far focused on n-doped MoS 2 , we observe the VHE in WSe 2 in both the n- and p-doping regimes. Hole doping enables access to the large spin-splitting of the valence band of this material. The Kerr rotation measurements probe the spatial distribution of the valley carrier imbalance induced by the VHE. Under current flow, we observe distinct spin-valley polarization along the edges of the transistor channel. From analysis of the magnitude of the Kerr rotation, we infer a spin-valley density of 44 spins/μm, integrated over the edge region in the p-doped regime. As a result, assuming a spin diffusion length less than 0.1 μm, this corresponds to a spin-valley polarization of the holes exceeding 1%.

42 ENGINEERING↗
DOE OSTI2018

A Graphene-Based Terahertz Hot Electron Bolometer with Johnson Noise Readout

In this paper, we present the development of a graphene-based hot electron bolometer with Johnson noise readout. The bolometer is a graphene microbridge connected to a log spiral antenna by Au contact pads. The Fourier transform spectrometer measurement shows the bolometer has high coupling efficiency in the frequency range from 0.3 to 1.6 THz. Using 300/77 K blackbody loads, we measure an optical noise equivalent power of 5.6 × 10{sup −12} W/Hz{sup 0.5} at 3.0 K. To understand the thermal transport inside the graphene microbridge, we measure the bolometers with different microbridge lengths at different bath temperatures. We find that the thermal conductance due to electron diffusion is significant in the bolometers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Infiltration of Nanoparticles into Porous Binder Jet Printed Parts

The densification of parts that are produced by binder jetting Additive Manufacturing (AM; a.k.a. “3D Printing”) is an essential step in making them mechanically useful. By increasing the packing factor of the powder bed by incorporating nanoparticles into the binder has potential to alleviate the amount of shrinkage needed for full densification of binder jet parts. We present preliminary data on the use of 316L Stainless Steel Nanoparticles (SSN) to densify 316L stainless steel binder jet parts. Aqueous solutions of Diethylene Glycol (DEG) or Ethylene Glycol (EG) were prepared at different DEG/water and EG/water molar ratios; pH of the solutions was adjusted by the use of 0.10 M sodium hydroxide. Nanoparticles were suspended in a resulted solution at a volume percentage of SSN/solution at 0.5%. The suspension was then sonicated for thirty minutes. One milliliter of the suspension was added stepwise to a sintered, printed disk with the dimensions: (d = 10 mm, h = 3 mm) in the presence of a small magnet. The 3D part was then sintered again. Moreover, the increase in the mass of the 3D part was used as indication of the amount of nanoparticles that diffused in the 3D part. This mass percent increase was studied as a function of pH of the suspension and as function DEG/water molar ratio. Unlike EG, data show that change in pH affects the mass percent when the suspension was made with DEG. Finally, optical analysis of the discs’ cross sections revealed trends metallic densities similar to trends in the data for mass increase with changing pH and water molar ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Laboratory study of the heterogeneous ice nucleation on black-carbon-containing aerosol

Abstract. Soot and black carbon (BC) particles are generated in the incomplete combustion of fossil fuels, biomass, and biofuels. These airborne particles affect air quality, human health, aerosol–cloud interactions, precipitation formation, and climate. At present, the climate effects of BC particles are not well understood. Their role in cloud formation is obscured by their chemical and physical variability and by the internal mixing states of these particles with other compounds. Ice nucleation in field studies is often difficult to interpret. Nonetheless, most field studies seem to suggest that BC particles are not efficient ice-nucleating particles (INPs). On the other hand, laboratory measurements show that in some cases, BC particles can be highly active INPs under certain conditions. By working with well-characterized BC particles, our aim is to systematically establish the factors that govern the ice nucleation activity of BC. The current study focuses on laboratory measurements of the effectiveness of BC-containing aerosol in the formation of ice crystals in temperature and ice supersaturation conditions relevant to cirrus clouds. We examine ice nucleation on BC particles under water-subsaturated cirrus cloud conditions, commonly understood as deposition-mode ice nucleation. We study a series of well-characterized commercial carbon black particles with varying morphologies and surface chemistries as well as ethylene flame-generated combustion soot. The carbon black particles used in this study are proxies for atmospherically relevant BC aerosols. These samples were characterized by electron microscopy, mass spectrometry, and optical scattering measurements. Ice nucleation activity was systematically examined in temperature and saturation conditions in the ranges of 217≤T≤235 K and 1.0≤Sice≤1.5 and 0.59≤Swater≤0.98, respectively, using a SPectrometer for Ice Nuclei (SPIN) instrument, which is a continuous-flow diffusion chamber coupled with instrumentation to measure light scattering and polarization. To study the effect of coatings on INPs, the BC-containing particles were coated with organic acids found in the atmosphere, namely stearic acid, cis-pinonic acid, and oxalic acid. The results show significant variations in ice nucleation activity as a function of size, morphology, and surface chemistry of the BC particles. The measured ice nucleation activity dependencies on temperature, supersaturation conditions, and the physicochemical properties of the BC particles are consistent with an ice nucleation mechanism of pore condensation followed by freezing. Coatings and surface oxidation modify the initial formation efficiency of pristine ice crystals on BC-containing aerosol. Depending on the BC material and the coating, both inhibition and enhancement in INP activity were observed. Our measurements at low temperatures complement published data and highlight the capability of some BC particles to nucleate ice under low ice supersaturation conditions. These results are expected to help refine theories relating to soot INP activation in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

On-line Optical Spectroscopy to Characterize Chemistry of the Transuranic Elements in Molten Salts

This project was targeted to design, build, and employ a spectroelectrochemical setup for the characterization of molten salts containing radioactive elements. This is a unique capability now housed at the Radiological Processing Laboratory (RPL) of PNNL. Initial work focused on the characterization of molten salts containing uranium, filling literature gaps regarding redox behavior, diffusion coefficients, and speciation. The setup was further modified/relocated to a glove box to allow for the study of transuranic elements, where significant research is needed to fill in literature gaps and fundamental understanding of behavior within molten salts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2019

Synthesis and Characterization of K and Eu Binary Phosphides

The synthesis, structural characterization, and optical properties of the binary Zintl phases of α-EuP3, β-EuP3, EuP2, and α-K4P6 are reported in this study. These crystal structures demonstrate the versatility of P fragments with dimensionality varying from 0D (P6 rings in α-K4P6) to 1D chains (EuP2) to 2D layers (both EuP3). EuP2 is isostructural to previously reported SrP2 and BaP2 compounds. The thermal stabilities of the EuP2 and both EuP3 phases were determined using differential scanning calorimetry (DSC), with melting temperatures of 1086 K for the diphosphide and 1143 K for the triphosphides. Diffuse reflectance spectroscopy indicated that EuP2 is an indirect semiconductor with a direct bandgap of 1.12(5) eV and a smaller indirect one, less than 1 eV. Both EuP3 compounds had bandgaps smaller than 1 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2016

PROVIDING STRINGENT STAR FORMATION RATE LIMITS OF z ∼ 2 QSO HOST GALAXIES AT HIGH ANGULAR RESOLUTION

We present integral field spectrograph (IFS) with laser guide star adaptive optics (LGS-AO) observations of z ∼ 2 quasi-stellar objects (QSOs) designed to resolve extended nebular line emission from the host galaxy. Our data was obtained with W. M. Keck and Gemini North Observatories, using OSIRIS and NIFS coupled with the LGS-AO systems, respectively. We have conducted a pilot survey of five QSOs, three observed with NIFS+AO and two observed with OSIRIS+AO at an average redshift of z = 2.2. We demonstrate that the combination of AO and IFSs provides the necessary spatial and spectral resolutions required to separate QSO emission from its host. We present our technique for generating a point-spread function (PSF) from the broad-line region of the QSO and performing PSF subtraction of the QSO emission to detect the host galaxy emission at a separation of ∼0.″2 (∼1.4 kpc). We detect Hα narrow-line emission for two sources, SDSS J1029+6510 (z{sub Hα} = 2.182) and SDSS J0925+0655 (z{sub Hα} = 2.197), that have evidence for both star formation and extended narrow-line emission. Assuming that the majority of narrow-line Hα emission is from star formation, we infer a star formation rate (SFR) for SDSS J1029+6510 of 78.4 M{sub ⊙} yr{sup −1} originating from a compact region that is kinematically offset by 290–350 km s{sup −1}. For SDSS J0925+0655 we infer a SFR of 29 M{sub ⊙} yr{sup −1} distributed over three clumps that are spatially offset by ∼7 kpc. The null detections on three of the QSOs are used to infer surface brightness limits and we find that at 1.4 kpc from the QSO the un-reddened star formation limit is ≲0.3 M{sub ⊙} yr{sup −1} kpc{sup −2}. If we assume typical extinction values for z = 2 type-1 QSOs, the dereddened SFR for our null detections would be ≲0.6 M{sub ⊙} yr{sup −1} kpc{sup −2}. These IFS observations indicate that while the central black hole is accreting mass at 10%–40% of the Eddington rate, if star formation is present in the host (1.4–20 kpc) it would have to occur diffusely with significant extinction and not in compact, clumpy regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Observation of an intermediate state during lithium intercalation of twisted bilayer MoS2

Abstract Lithium intercalation of MoS 2 is generally believed to introduce a phase transition from H phase (semiconducting) to T phase (metallic). However, during the intercalation process, a spatially sharp boundary is usually formed between the fully intercalated T phase MoS 2 and non-intercalated H phase MoS 2 . The intermediate state, i.e ., lightly intercalated H phase MoS 2 without a phase transition, is difficult to investigate by optical-microscope-based spectroscopy due to the narrow size. Here, we report the stabilization of the intermediate state across the whole flake of twisted bilayer MoS 2 . The twisted bilayer system allows the lithium to intercalate from the top surface and enables fast Li-ion diffusion by the reduced interlayer interaction. The E 2g Raman mode of the intermediate state shows a peak splitting behavior. Our simulation results indicate that the intermediate state is stabilized by lithium-induced symmetry breaking of the H phase MoS 2 . Our results provide an insight into the non-uniform intercalation during battery charging and discharging, and also open a new opportunity to modulate the properties of twisted 2D systems with guest species doping in the Moiré structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The birth and evolution of solvated electrons in the water

The photo-induced radiolysis of water is an elementary reaction in biology and chemistry, forming solvated electrons, OH radicals, and hydronium cations on fast time scales. Here, we use an optical-pump terahertz-probe spectroscopy setup to trigger the photoionization of water molecules with optical laser pulses at ~400 nm and then time-resolve the transient solvent response with broadband terahertz (THz) fields with a ~90 fs time resolution. We observe three distinct spectral responses. The first is a positive broadband mode that can be attributed to an initial diffuse, delocalized electron with a radius of (22 ± 1) Å, which is short lived (<200 fs) because the absorption is blue-shifting outside of the THz range. The second emerging spectroscopic signature with a lifetime of about 150 ps is attributed to an intermolecular mode associated with a mass rearrangement of solvent molecules due to charge separation of radicals and hydronium cations. After 0.2 ps, we observe a long-lasting THz signature with depleted intensity at 110 cm -1 that is well reproduced by ab initio molecular dynamics. We interpret this negative band at 110 cm -1 as the solvent cage characterized by a weakening of the hydrogen bond network in the first and second hydration shells of the cavity occupied by the localized electron.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗