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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Visualizing Anisotropic Oxygen Diffusion in Ceria under Activated Conditions

Oxygen reactivity plays a key role in the performance of ceria-based catalysts. Aberration-corrected transmission electron microscopy and molecular dynamics simulations were used to study the oxygen atom diffusion in ceria under activated conditions. Reactive oxygen atom and its real-time diffusion were visualized. Additionally, the interplay between cerium and oxygen atoms originating from a Coulomb interaction was revealed by the out-of-plane buckling of cerium atoms associated with oxygen transport. Anisotropic oxygen atom diffusion that depends on crystal orientations was discovered, demonstrating a preferential [001] crystallographic diffusion pathway. These findings reveal prospects for applications of anisotropic orientation-relevant fluorite-structured oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Leak-tight crack repair for 304L stainless steel using friction surfacing

Here, friction surfacing (FS) was investigated as a method for sealing 50 μm wide thru-cracks in 3-mm-thick 304L stainless steel (304L) plate. Friction surfacing was performed using two sizes of 304L consumable rod, with diameters of 9.52 mm and 12.7 mm, on two substrate conditions (clean and oxidized). Friction surfacing was able to deposit a 600 μm thick coating and repair cracks to a depth of 100 μm - 200 μm below the original surface, when using the 12.7-mm-diameter consumable rod for both substrate conditions. Helium leak rates of 10 -10 atm-cc/s were achieved on crack repairs, designating them as leak-tight by the ANSI N14.5 standard. Optical and scanning electron microscopy were used to investigate the coating microstructure and bond interfaces. In this study, the 12.7-mm-diameter rod performed better with disruption of the oxide layer on the oxidized substrate and providing a more homogenous coating. Mechanical properties of the coated samples were evaluated by performing micro-indentation, tensile, bending, and adhesion testing. Higher hardness in the coatings was observed due to the fine equiaxed grains resulting from dynamic recrystallization. Complete consolidation of plastically deformed material on the substrate and a strong diffusion bond across the interface was observed. This was reflected in tensile and bending properties of the FS coatings being comparable to those of uncoated specimen. No delamination of the FS coating was observed during adhesion testing. The results demonstrate that friction surfacing is a viable option to seal cracks in stainless steels.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Extended two-temperature model for ultrafast thermal response of band gap materials upon impulsive optical excitation

Thermal modeling and numerical simulations have been performed to describe the ultrafast thermal response of band gap materials upon optical excitation. A model was established by extending the conventional two-temperature model that is adequate for metals, but not for semiconductors. It considers the time- and space-dependent density of electrons photoexcited to the conduction band and accordingly allows a more accurate description of the transient thermal equilibration between the hot electrons and lattice. Ultrafast thermal behaviors of bismuth, as a model system, were demonstrated using the extended two-temperature model with a view to elucidating the thermal effects of excitation laser pulse fluence, electron diffusivity, electron-hole recombination kinetics, and electron-phonon interactions, focusing on high-density excitation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hot Carrier and Surface Recombination Dynamics in Layered InSe Crystals

Layered indium selenide (InSe) is a van der Waals solid that has emerged as a promising material for high-performance ultrathin solar cells. The optoelectronic parameters that are critical to photoconversion efficiencies, such as hot carrier lifetime and surface recombination velocity, are however largely unexplored in InSe. Here, these key photophysical properties of layered InSe are measured with femtosecond transient reflection spectroscopy. The hot carrier cooling process is found to occur through phonon scattering. The surface recombination velocity and ambipolar diffusion coefficient are extracted from fits to the pump energy-dependent transient reflection kinetics using a free carrier diffusion model. The extracted surface recombination velocity is approximately an order of magnitude larger than that for methylammonium lead-iodide perovskites, suggesting that surface recombination is a principal source of photocarrier loss in InSe. The extracted ambipolar diffusion coefficient is consistent with previously reported values of InSe carrier mobility.

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

Utilization of native oxygen in Eu(RE)-doped GaN for enabling device compatibility in optoelectronic applications

The detrimental influence of oxygen on the performance and reliability of V/III nitride based devices is well known. However, the influence of oxygen on the nature of the incorporation of other co-dopants, such as rare earth ions, has been largely overlooked in GaN. Here, we report the first comprehensive study of the critical role that oxygen has on Eu in GaN, as well as atomic scale observation of diffusion and local concentration of both atoms in the crystal lattice. We find that oxygen plays an integral role in the location, stability, and local defect structure around the Eu ions that were doped into the GaN host. Although the availability of oxygen is essential for these properties, it renders the material incompatible with GaN-based devices. However, the utilization of the normally occurring oxygen in GaN is promoted through structural manipulation, reducing its concentration by 2 orders of magnitude, while maintaining both the material quality and the favorable optical properties of the Eu ions. Furthermore, these findings open the way for full integration of RE dopants for optoelectronic functionalities in the existing GaN platform.

36 MATERIALS SCIENCE↗
DOE OSTI2016

EVN observations of HESS J1943+213: evidence for an extreme TeV BL Lac object

We report on the 1.6 GHz (18 cm) very long baseline interferometry (VLBI) observations of the unresolved, steady TeV source HESS J1943+213 located in the Galactic plane, performed with the European VLBI Network (EVN) in 2014. Our new observations with a nearly full EVN array provide the deepest image of HESS J1943+213 at the highest resolution ever achieved, enabling us to resolve the long-standing issues of the source identification. The milliarcsecond-scale structure of HESS J1943+213 has a clear asymmetric morphology consisting of a compact core and a diffuse jet-like tail. This is broadly consistent with the previous e-EVN observations of the source performed in 2011 and re-analyzed in this work. The core component is characterized by the brightness temperature of ≳1.8×10{sup 9} K, which is typical for low-luminosity blazars in general. Overall, the radio properties of HESS J1943+213 are consistent with the source classification as an “extreme high-frequency-peaked BL Lac object.” Remarkably, we note that because HESS J1943+213 does not reveal any optical or infrared signatures of the active galactic nucleus activity, it would never be recognized and identified as a BL Lac object if not for its location close to the Galactic plane where the High Energy Stereoscopic System surveyed for and the follow-up dedicated X-ray and radio studies triggered by the source detection in the TeV range. Our results suggest, therefore, a presence of an unrecognized, possibly very numerous population of particularly extreme HBLs and simultaneously demonstrate that the low-frequency VLBI observations with high angular resolution are indispensable for a proper identification of such objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Surface Modification by Friction Stir Processing of Low-Carbon Steel: Microstructure Investigation and Wear Performance

A low-carbon steel sheet with a thickness of 5 mm was subjected to friction stir processing (FSP) by one to four different passes. The microstructures of different regions were characterized using the optical microscopy and electron backscatter diffraction. The Vickers micro-harness was measured at the distance of 200 μm below the processed surfaces. The influence of pass numbers (PNs) on wear resistance was studied in terms of coefficients of friction (CoFs), weight losses and wear rates. SEM topographies of the worn surfaces were also studied to evaluate the wear mechanisms. Microstructure observations showed that Widmänstatten ferrite plates were formed in stir zones (SZs) and heat affected zones. As PN increased, these grains were widened due to the increment of the carbon diffusivity and lengthened because of the high heat input and microstructure anisotropy. Besides, increasing the PN causes increasing of the hardness and wear resistance, simultaneously. Specifically, the wear rate in the SZ was reduced from 2.8 × 10{sup −2} mm{sup 3} m{sup −1} in base metal to 0.3 × 10{sup −2} mm{sup 3} m{sup −1} in sample which was subjected to 4 FSP passes. However, variation in PN had no considerable effect on CoFs. Oxidative wear mechanism was observed on the worn surface of the steel and the FSPed samples while more debris was formed by increasing the PNs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Comprehensive Methodology to Evaluate Losses and Process Variations in Silicon Solar Cell Manufacturing

Novel, high-throughput metrology methods are used in this paper for detailed performance loss analysis of approximately 400 industrial crystalline silicon solar cells, all coming from the same production line. The characterization sequence combines traditional global cell measurements (e.g., current-voltage, Suns-VOC) with camera-based cell imaging of voltage distribution and power dissipation from photoluminescence and lock-in thermography, respectively. Spatial variations in current collection are visualized using a high-speed external quantum efficiency and reflectance measurement technique. A nondestructive transfer length method (TLM) measurement technique is also implemented, featuring circular TLM structures hidden within the busbars of the cells. The variance of individual loss parameters and their impact on cell performance are quantified for this large group of cells. Based on correlations performed across parameters, recombination losses in the bulk and rear surface of the cell are shown to be the primary limiting factor for the cell efficiency. The nature of these distributions and correlations provide important insights about loss mechanisms in industrial solar cells, helping to prioritize efforts for optimizing the performance of the production line. Additionally, many of the parameters extracted from these techniques can be tied back to incoming material quality issues (e.g., poor bulk carrier lifetime, nonuniform wafer doping) and to individual unit processes (e.g., texturing, phosphorus diffusion, silicon nitride deposition, metallization), allowing the data to be used directly for process control in manufacturing. All of the datasets are made available for download.

14 SOLAR ENERGY↗
DOE OSTI2015

Nanoscale deformation analysis with high-resolution transmission electron microscopy and digital image correlation

We present an application of the digital image correlation (DIC) method to high-resolution transmission electron microscopy (HRTEM) images for nanoscale deformation analysis. The combination of DIC and HRTEM offers both the ultrahigh spatial resolution and high displacement detection sensitivity that are not possible with other microscope-based DIC techniques. We demonstrate the accuracy and utility of the HRTEM-DIC technique through displacement and strain analysis on amorphous silicon. Two types of error sources resulting from the transmission electron microscopy (TEM) image noise and electromagnetic-lens distortions are quantitatively investigated via rigid-body translation experiments. The local and global DIC approaches are applied for the analysis of diffusion- and reaction-induced deformation fields in electrochemically lithiated amorphous silicon. As a result, the DIC technique coupled with HRTEM provides a new avenue for the deformation analysis of materials at the nanometer length scales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Tuning surface properties of amino-functionalized silica for metal nanoparticle loading: The vital role of an annealing process

Metal nanoparticles (NPs) loaded on oxides have been widely used as multifunctional nanomaterials in various fields such as optical imaging, sensors, and heterogeneous catalysis. However, the deposition of metal NPs on oxide supports with high efficiency and homogeneous dispersion still remains elusive, especially when silica is used as the support. Amino-functionalization of silica can improve loading efficiency, but metal NPs often aggregate on the surface. Herein, we report that a facial annealing of amino-functionalized silica can significantly improve the dispersion and enhance the loading efficiency of various metal NPs, such as Pt, Rh, and Ru, on the silica surface. A series of characterization techniques, such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), Zeta potential analysis, UV–Vis spectroscopy, thermogravimetric analysis coupled with infrared analysis (TGA–IR), and nitrogen physisorption, were employed to study the changes of surface properties of the amino-functionalized silica before and after annealing. We found that the annealed amino-functionalized silica surface has more cross-linked silanol groups and relatively lesser amount of amino groups, and less positively charges, which could be the key to the uniform deposition of metal NPs during the loading process. Lastly, these results could contribute to the preparation of metal/oxide hybrid NPs for the applications that require uniform dispersion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Direct visualization of polaron formation in the thermoelectric SnSe

SnSe is a layered material that currently holds the record for bulk thermoelectric efficiency. The primary determinant of this high efficiency is thought to be the anomalously low thermal conductivity resulting from strong anharmonic coupling within the phonon system. Here we show that the nature of the carrier system in SnSe is also determined by strong coupling to phonons by directly visualizing polaron formation in the material. We employ ultrafast electron diffraction and diffuse scattering to track the response of phonons in both momentum and time to the photodoping of free carriers across the bandgap, observing the bimodal and anisotropic lattice distortions that drive carrier localization. Relatively large (18.7 Å), quasi-one-dimensional (1D) polarons are formed on the 300-fs timescale with smaller (4.2 Å) 3D polarons taking an order of magnitude longer (4 ps) to form. This difference appears to be a consequence of the profoundly anisotropic electron–phonon coupling in SnSe, with strong Fröhlich coupling only to zone-center polar optical phonons. These results demonstrate a high density of polarons in SnSe at optimal doping levels. Strong electron-phonon coupling is critical to the thermoelectric performance of this benchmark material and, potentially, high performance thermoelectrics more generally.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermal fluctuations in the Landau-Lifshitz-Bloch model

A formulation for thermal noise in the stochastic form of the Landau-Lifshitz-Bloch equation used for modeling the magnetization dynamics at elevated temperatures is presented here. The diffusion coefficients for thermal fluctuations are obtained via the Fokker-Plank equation using the mean-field approximation of the field in defining the free energy. The presented model leads to a mean magnetization consistent with the equilibrium magnetization for small and large particles. The distribution of the magnetization magnitude is of the Maxwell-Boltzmann type. The presented model was tested by studying the equilibrium magnetization in macrospin particles at high temperatures. The model is appealing for multiscale modeling, such as modeling heat assisted magnetic recording systems and all-optical magnetization reversal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

STAR FORMATION SUPPRESSION DUE TO JET FEEDBACK IN RADIO GALAXIES WITH SHOCKED WARM MOLECULAR GAS

We present Herschel observations of 22 radio galaxies, selected for the presence of shocked, warm molecular hydrogen emission. We measured and modeled spectral energy distributions in 33 bands from the ultraviolet to the far-infrared to investigate the impact of jet feedback on star formation activity. These galaxies are massive, early-type galaxies with normal gas-to-dust ratios, covering a range of optical and infrared colors. We find that the star formation rate (SFR) is suppressed by a factor of ∼3–6, depending on how molecular gas mass is estimated. We suggest that this suppression is due to the shocks driven by the radio jets injecting turbulence into the interstellar medium (ISM), which also powers the luminous warm H{sub 2} line emission. Approximately 25% of the sample shows suppression by more than a factor of 10. However, the degree of SFR suppression does not correlate with indicators of jet feedback including jet power, diffuse X-ray emission, or intensity of warm molecular H{sub 2} emission, suggesting that while injected turbulence likely impacts star formation, the process is not purely parameterized by the amount of mechanical energy dissipated into the ISM. Radio galaxies with shocked warm molecular gas cover a wide range in SFR–stellar mass space, indicating that these galaxies are in a variety of evolutionary states, from actively star-forming and gas-rich to quiescent and gas-poor. SFR suppression appears to have the largest impact on the evolution of galaxies that are moderately gas-rich.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Distributed strain sensing using Bi-metallic coated fiber optic sensors embedded in stainless steel

Silica fiber optic sensors are resistant to corrosive environments and high temperatures, making them attractive candidates for harsh conditions found in nuclear and aerospace industries. Moreover, fibers can be deployed remotely for continuous measuring of spatially distributed temperatures and strains. Here, this study investigated embedding a Ni/Cu bi-metallic coated fiber in a stainless-steel 316 (SS316) matrix using laser powder bed fusion towards functionalizing metal components for site-specific health monitoring. The embedded fiber was continuously interrogated during controlled heating to 1000°C. The measured fiber strains were similar to the expected differential thermal strains between the fiber and the SS316 matrix, until divergent behavior was observed at temperatures >500°C. No debonding at the matrix–coating–fiber interfaces was observed during microscopy, but significant interactions between the coatings and matrix resulted in diffusion-driven chemistry variations and Kirkendall void formation. Applying the strain-lag theory revealed plastic behavior in the Ni coating at temperatures >500°C, limiting the strain transfer to the fiber at higher temperatures. It was estimated that the elastic modulus in the Ni coating had decreased from ~200 GPa at room temperature to below 40 GPa, starting at 600°C. The low elastic modulus above 600°C is within the margin of what the tangent modulus would be in the case of bilinear isotropic hardening. Regardless of the divergent strain transfer at higher temperatures, the fiber was exposed to the equivalent of 1.9 % engineering strain at 1000°C, but measured only a 0.7 % engineering strain due to the poor strain transfer. Although compensating for the plastic behavior of Ni proved challenging, the bonding of a brittle silica fiber to a metal matrix surviving to 1000°C invites potential iterations on coating material for future application. For example, the embedded fiber is sufficient for acoustic energy transfer, realizing high temperature distributed acoustic sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Fused Ring Electron Acceptor with Decacyclic Core Enables over 13.5% Efficiency for Organic Solar Cells

Abstract Extending π‐conjugation of donor units in fused ring electron acceptors (FREAs) promises to reinforce intramolecular charge transfer for smaller bandgaps, and enhances intermolecular interactions for higher charge mobility. Despite these advantages, power conversion efficiencies (PCEs) of FREAs with a large planar donor core are still below 12%. Herein, a fused decacyclic donor unit, IDC, is developed, and the FREA, IDCIC, whose optical bandgap is 1.45 eV, is synthesized. The FTAZ:IDCIC‐based organic solar cell (OSC) with a binary additive, chloronaphthalene and 1,8‐diiodooctane (CN&DIO), affords a remarkable PCE of 13.58%, which is among the highest efficiencies of OSCs. The binary additive plays a crucial role in the morphology of FTAZ:IDCIC‐based OSCs. The addition of DIO promotes IDCIC to aggregate and enhances domain size and domain purity in FTAZ:IDCIC blend film for its poor solubility in DIO, while the addition of chloronaphthalene (CN) inhibits the aggregation, facilitates IDCIC to diffuse into the donor, and reduces domain size and domain purity for its excellent solubility in CN. The binary additive, CN&DIO, compromises the effect of the two; thus FTAZ:IDCIC‐based OSCs with 0.25% CN&DIO obtain moderate domain size and high domain purity simultaneously, achieving the least charge recombination for the highest J SC (21.98 mA cm −2 ) and fill factor (FF) (71.03%).

He, Dan↗
DOE OSTI2019

Quantitative imaging of anion exchange kinetics in halide perovskites

Significance Fundamental understanding of chemical transformation mechanism in solid-state semiconductors can offer guidelines for engineering these materials with various functionalities. Microscopically resolving such transformation process on the single-particle level can provide a direct picture of the dynamics, but has always been challenging due to the deficiencies of characterization techniques and material dimensions. This work presents a unique design on realizing the quantitative imaging of anion exchange reaction kinetics in halide perovskites by taking advantage of their high and tunable photoluminescence and characteristic lattice dynamics, coupled with controllable chemical treatments and optical microscopic techniques. Our study on kinetically visualizing ion exchange behavior in solid-state materials could also inspire mechanistic insights into other phenomena in a broad context of physical science.

2D heterostructures↗
DOE OSTI2018

A Hybrid Biological-Organic Photochemical Half-Cell for Generating Dihydrogen

In this final report we describe our work on the fabrication of a hybrid biological/organic photochemical half-cell that couples Photosystem I, which produces electrons at a highly reducing redox potential, with a hydrogenase enzyme, which catalyzes H 2 evolution at high rates when provided with a source of electrons. We considered it far too ambitious at the present stage of knowledge to attempt to design a system that carries out the reaction 2H 2 O + 8hv → 2H 2 + O 2 in a single photochemical step, hence, we focused our work on optimizing the half-cell reaction 2H + + 2e - + 2hv → H 2 . The challenge has been to deliver low-potential electrons from PS I to H 2 ase rapidly, at high quantum yield, and with high thermodynamic efficiency. To accomplish this, we engineered a molecular wire that connects the [4Fe-4S] clusters of PS I with those of the hydrogenase enzyme. In doing so, the highly reducing electrons generated by PS I are transferred by quantum mechanical tunneling to the enzyme. The core idea was to connect the terminal Fe/S cluster of Photosystem I to the distal Fe/S cluster of H 2 ase through a covalently bonded “molecular wire” consisting of an 8-carbon hydrocarbon wire terminated on both ends with a sulfhydryl group. By providing a direct electron transfer pathway through signa bonds, diffusion chemistry is avoided, and, because the tether length and redox potentials were properly chosen, a rate of electron transfer between the two enzymes was achieved that twice exceeded the rate of electron transfer in natural photosynthesis. We also devised a way to utilize the FA and FB clusters of Photosystem I to serve as a reservoir so that electrons could be extracted from the quinone binding sites and passed through a similar molecular wire to the bound hydrogenase. The additional induction of the IsiA antenna pigments by iron starvation led to an optical cross section twice that of the naturally-occurring Photosystem I, thus further raising the rates of electron transfer to the enzyme. We were likewise able to re-engineer a naturally-occurring dicluster ferredoxin to replace the hydrocarbon molecular wire as the tether between Photosystem I and the hydrogenase enzyme. Finally, we developed techniques to place Photosystem I on electrodes and in block copolymer interfaces and we were able to measure photocurrents approaching 35.0 ± 3.5 mA cm -2 upon illumination of these assembled devices, which are among the highest reported so far for such systems on a per protein basis.

14 SOLAR ENERGY↗
DOE OSTI2016

Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren

A new indium(III) antimony(V) sulfide, (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·tren, has been prepared solvothermally at 433 K. The compound crystallises in the tetragonal space group I-42d (lattice parameters, a=12.6248(5) and c=19.4387(18) Å at 150 K) and contains adamantane-like T2 supertetrahedral units comprised of corner-sharing InS{sub 4}{sup 5−} and SbS{sub 4}{sup 3−} tetrahedra. The adamantane-like units are then linked through sulfur vertices to generate an open, 3-D framework structure containing large pores in which neutral, protonated tren (tris(2-aminoethylene)amine) molecules reside. The presence of the organic components was confirmed by solid-state {sup 13}C NMR (10 kHz), combustion and thermogravimetric analysis. The band gap, obtained from UV–vis diffuse reflectance measurements, is 2.7(2) eV. Stirring with either water or alkali-metal salt solution leads to removal of the neutral tren molecules and an ~9% reduction in unit-cell volume on formation of (H{sub 1.33}tren)[In{sub 2.67}Sb{sub 1.33}S{sub 8}]·(H{sub 2}O){sub 4}. - Graphical abstract: Linking of In(III)-Sb(V)-S adamantane units to form a 3-D open framework. - Highlights: • Preparation and structural characterisation of a new mixed-metal thiometallate. • The first mixed In(III)/Sb(V) supertetrahedron. • Optical band gap of 2.7(2) eV. • Soaking in aqueous alkali-metal solutions leads to removal of ca. 50% of the organic content.

36 MATERIALS SCIENCE↗