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DOE OSTI2024

Green-emitting cubic GaN/In 0.16 Ga 0.84 N/GaN quantum well with 32% internal quantum efficiency at room temperature

Structural and optical properties of a green-emitting cubic (i.e., zinc blende) GaN/In 0.16 Ga 0.84 N/GaN single quantum well structure are reported. The active layer is grown on a phase-pure (i.e., 100%) cubic GaN enabled on a 1 × 1 cm 2 U-grooved silicon (100) through aspect ratio phase trapping. Energy dispersive x-ray spectroscopy combined with room temperature cathodoluminescence reveals 522 nm green light emission at room temperature with only 16.0% ± 1.6% of indium content, which is ~30% less than the amount of indium needed in a traditional green-emitting hexagonal (i.e., wurtzite) well. Temperature-dependent behavior of the green emission, such as activation energy, s-shaped peak energy shift, and linewidth, is reported. Cathodoluminescence at 8 and 300 K reveals an internal quantum efficiency of 32.0% ± 0.6%, which is higher than any reported value for cubic wells. Altogether, phase-pure cubic active layers on phase transition cubic GaN are shown to be promising for green and longer wavelength emitters.

42 ENGINEERING↗

DOE OSTI2024

Satellite-Based Assessment of Rocket Launch and Coastal Change Impacts on Cape Canaveral Barrier Island, Florida, USA

The Cape Canaveral Barrier Island, home to the National Aeronautics and Space Administration (NASA)’s Kennedy Space Center and the United States (U.S.) Space Force’s Cape Canaveral Space Force Station, is situated in a unique ecological transition zone that supports diverse wildlife. This study evaluates the recent changes in vegetation cover (2016–2023) and dune elevation (2007–2017) within the Cape Canaveral Barrier Island using high-resolution optical satellite and light detection and ranging (LiDAR) data. The study period was chosen to depict the time period of a recent increase in rocket launches. The study objectives include assessing changes in vegetation communities, identifying detectable impacts of liquid propellant launches on nearby vegetation, and evaluating dune elevation and tide level shifts near launchpads. The results indicate vegetation cover changes, including mangrove expansion in wetland areas and the conversion of coastal strands to denser scrubs and hardwood forests, which were likely influenced by mild winters and fire management. While detectable impacts of rocket launches on nearby vegetation were observed, they were less severe than those caused by solid rocket motors. Compounding challenges, such as rising tide levels, beach erosion, and wetland loss, potentially threaten the resilience of launch operations and the surrounding habitats. The volume and scale of launches continue to increase, and a balance between space exploration and ecological conservation is required in this biodiverse region. This study focuses on the assessment of barrier islands’ shorelines.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Unexpected series of regular frequency spacing of δ Scuti stars in the non-asymptotic regime. II. Sample-Echelle diagrams and rotation

A sequence search method was developed for searching for regular frequency spacing in δ Scuti stars by visual inspection (VI) and algorithmic search. The sample contains 90 δ Scuti stars observed by CoRoT. An example is given to represent the VI. The algorithm (SSA) is described in detail. The data treatment of the CoRoT light curves, the criteria for frequency filtering, and the spacings derived by two methods (i.e., three approaches: VI, SSA, and FT) are given for each target. Echelle diagrams are presented for 77 targets for which at least one sequence of regular spacing was identified. Comparing the spacing and the shifts between pairs of echelle ridges revealed that at least one pair of echelle ridges is shifted to midway between the spacing for 22 stars. The estimated rotational frequencies compared to the shifts revealed rotationally split doublets, triplets, and multiplets not only for single frequencies, but for the complete echelle ridges in 31 δ Scuti stars. Furthermore, using several possible assumptions for the origin of the spacings, we derived the large separation (${\rm{\Delta }}\nu $) that are distributed along the mean density versus large separations relation derived from stellar models.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Elastic scattering of 600-MeV protons from H, D, He-3, and He-4.

Study of the elastic scattering of 600-MeV protons from light nuclei. Differential cross sections have been obtained for the scattering of protons from hydrogen, deuterium, helium-3, and helium-4. Polarization was measured for deuterium and He-4 nuclei. The p-p cross-section data are in excellent agreement with the predictions from the Livermore phase shifts. Small-angle p-D, p-He-3 elastic scattering data are compared with calculations based on the multiple-scattering theories of Watson and Glauber.

Boschitz, E. T.↗

NASA NTRS1986

Optical image subtraction techniques, 1975-1985

Real- and nonreal-time optical image subtraction (OIS) techniques are reviewed. Real-time OIS techniques include source encoding, polarization modulation, pseudocolor image difference detection, the holographic shear lens technique, and nonlinear optics. Included in the nonreal-time category are speckle diffuser encoding, speckle-pattern encoding, halftone screen encoding, and polarization-shifted encoding. It is concluded that the most useful techniques are the real-time operations. It is noted that some nonreal-time optical techniques can be applied directly while others may be converted into real-time ones through the use of advance real-time spatial light modulators or electrooptic devices.

Liu, Hua-Kuang↗

DOE OSTI2018

An analysis of various solution strategies and perturbations on inputs of the reactor shielding problem - 25584

Previous work focused on the use of automated variance reduction parameters for use in a fixed source reactor shielding problem to solve for ex-core particle transport results. The current work assesses that strategy in light of a fully-coupled Monte Carlo problem run as a critical system with parallel processing and the use of moderate variance reduction parameters set manually. The results from the two strategies compare well. Also, results are compared between the MCNP, Virtual Environment for Reactor Applications (VERA) and Shift computer codes. Shift and VERA deliver similar results and compare well to MCNP. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

Green (In,Ga,Al)P-GaP light-emitting diodes grown on high-index GaAs surfaces

We report on green (550–560 nm) electroluminescence (EL) from (Al{sub 0.5}Ga{sub 0.5}){sub 0.5}In{sub 0.5}P-(Al{sub 0.8}Ga{sub 0.2}){sub 0.5}In{sub 0.5}P double p-i-n heterostructures with monolayer-scale GaP insertions in the cladding layers and light-emitting diodes based thereupon. The structures are grown side-by-side on high-index and (100) GaAs substrates by molecular beam epitaxy. At moderate current densities (∼500 A/cm{sup 2}), the EL intensity of the structures is comparable for all substrate orientations. Opposite to the (100)-grown strictures, the EL spectra of (211) and (311)-grown devices are shifted towards shorter wavelengths (∼550 nm at room temperature). At high current densities (>1 kA/cm{sup 2}), a much higher EL intensity is achieved for the devices grown on high-index substrates. The integrated intensity of (311)-grown structures gradually saturates at current densities above 4 kA/cm{sup 2}, whereas no saturation is revealed for (211)-grown structures up to the current densities above 14 kA/cm{sup 2}. We attribute the effect to the surface orientation-dependent engineering of the GaP band structure, which prevents the escape of the nonequilibrium electrons into the indirect conduction band minima of the p-doped (Al{sub 0.8}Ga{sub 0.2}){sub 0.5}In{sub 0.5}P cladding layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Heavy Versus Light Lanthanide Selectivity for Graphene Oxide Films is Concentration Dependent

Rare earths are important materials in various technologies such as catalysis and optoelectronics. Graphene oxide (GO) is a promising material for separation applications, including the isolation of lanthanides from complex mixtures. Previous works using fatty acid monolayers have demonstrated preferential heavy versus light lanthanide adsorption, which has been attributed to differences in lanthanide ion size. In this work, we used interfacial X-ray fluorescence measurements to reveal that GO thin films at the air/water interface have no lanthanide selectivity for dilute subphases. However, at high subphase concentrations, ~8 times more Lu is adsorbed than La. By comparing the GO results with an ideal monolayer with a carboxylic acid headgroup, arachidic acid (AA), we demonstrate that the number of Lu ions adsorbed to GO is significantly higher than the number expected to compensate for the surface charge. Vibrational sum frequency generation (SFG) spectroscopy results on both GO thin films and AA monolayers reveal a red-shifted SFG signal in the OH region, which we attribute to partial dehydration of the adsorbed ions and carboxylic acid headgroups. Liquid surface X-ray reflectivity data show that the GO thin film structure does not significantly change between the very dilute and concentrated subphases. We speculate that the functional groups of both GO and AA facilitate cation dehydration, which is essential for ion adsorption. Heavy lanthanide Lu has stronger ion–ion correlations that can overcome the electrostatic repulsion between cations at higher concentrations compared to light lanthanide La, meaning GO and AA can exhibit apparent overcharge with Lu. Lastly, the layered structure of the GO films and reactive chemical nature of GO itself can accommodate ion adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

Remote Detection Sodium Cell Magnetometry Using Amplitude Modulated Light

We have investigated the performance of a remote-detection sodium cell magnetometer using synchronous optical pumping with amplitude modulated light. The magnetometer is used to measure ambient geomagnetic field with high-sensitivity using backscattered resonance fluorescence.

Line shapes and shifts and Spectroscopy↗

NASA NTRS1993

Water-vapor absorption line measurements in the 940-nm band by using a Raman-shifted dye laser

We report water-vapor absorption line measurements that are made by using the first Stokes radiation (930-982 nm) with HWHM 0.015/cm generated by a narrow-linewidth, tunable dye laser. Forty-five absorption line strengths are measured with an uncertainty of 6 percent and among them are fourteen strong lines that are compared with previous measurements for the assessment of spectral purity of the light source. Thirty air-broadened linewidths are measured with 8 percent uncertainty at ambient atmospheric pressure with an average of 0.101/cm. The lines are selected for the purpose of temperature-sensitive or temperature-insensitive lidar measurements. Results for these line strengths and linewidths are corrected for broadband radiation and finite laser linewidth broadening effects and compared with the high-resolution transmission molecular absorption.

Chu, Zhiping↗

DOE OSTI2024

Properties of V-defect injectors in long wavelength GaN LEDs studied by near-field electro- and photoluminescence

The efficiency of multiple quantum well (QW) light emitting diodes (LEDs) to a large degree depends on uniformity of hole distribution between the QWs. Typically, transport between the QWs takes place via carrier capture into and thermionic emission out of the QWs. In InGaN/GaN QWs, the thermionic hole transport is hindered by the high quantum confinement and polarization barriers. To overcome this drawback, hole injection through semipolar QWs located at sidewalls of V-defects had been proposed. However, in the case of the V-defect injection, strong lateral emission variations take place. In this work, we explore the nature of these variations and the impact of the V-defects on the emission spectra and carrier dynamics. The study was performed by mapping electroluminescence (EL) and photoluminescence (PL) with a scanning near-field optical microscope in LEDs that contain a deeper well that can only be populated by holes through the V-defects. Applying different excitation schemes (electrical injection and optical excitation in the far- and near-field), we have shown that the EL intensity variations are caused by the lateral nonuniformity of the hole injection. We have also found that, in biased structures, the PL intensity and decay time in the V-defect regions are only moderately lower that in the V-defect-free regions thus showing no evidence of an efficient Shockley-–Read–Hall recombination. In the V-defect regions, the emission spectra experience a red shift and increased broadening, which suggests an increase of the In content and well width in the polar QWs close to the V-defects.

Electroluminescence↗

DOE OSTI2019

Pressure‐Induced Emission (PIE) and Phase Transition of a Two‐dimensional Halide Double Perovskite (BA) 4 AgBiBr 8 (BA=CH 3 (CH 2 ) 3 NH 3 + )

Abstract Two‐dimensional (2D) halide perovskites have attracted significant attention due to their compositional flexibility and electronic diversity. Understanding the structure–property relationships in 2D double perovskites is essential for their development for optoelectronic applications. In this work, we observed the emergence of pressure‐induced emission (PIE) at 2.5 GPa with a broad emission band and large Stokes shift from initially nonfluorescent (BA) 4 AgBiBr 8 (BA=CH 3 (CH 2 ) 3 NH 3 + ). The emission intensity increased significantly upon further compression up to 8.2 GPa. Moreover, the band gap narrowed from the starting 2.61 eV to 2.19 eV at 25.0 GPa accompanied by a color change from light yellow to dark yellow. Analysis of combined in situ high‐pressure photoluminescence, absorption, and angle‐dispersive X‐ray diffraction data indicates that the observed PIE can be attributed to the emission from self‐trapped excitons. This coincides with [AgBr 6 ] 5− and [BiBr 6 ] 3− inter‐octahedral tilting which cause a structural phase transition. High‐pressure study on (BA) 4 AgBiBr 8 sheds light on the relationship between the structure and optical properties that may improve the material's potential applications in the fields of pressure sensing, information storage and trademark security.

Fang, Yuanyuan↗

DOE OSTI2019

Pressure‐Induced Emission (PIE) and Phase Transition of a Two‐dimensional Halide Double Perovskite (BA) 4 AgBiBr 8 (BA=CH 3 (CH 2 ) 3 NH 3 + )

Fang, Yuanyuan↗

DOE OSTI2014

Axial resonances a$_{1}$(1260), b$_{1}$(1235) and their decays from the lattice

The light axial-vector resonances $a_1(1260)$ and $b_1(1235)$ are explored in Nf=2 lattice QCD by simulating the corresponding scattering channels $\rho\pi$ and $\omega\pi$. Interpolating fields $\bar{q} q$ and $\rho\pi$ or $\omega\pi$ are used to extract the s-wave phase shifts for the first time. The $\rho$ and $\omega$ are treated as stable and we argue that this is justified in the considered energy range and for our parameters $m_\pi\simeq 266~$MeV and $L\simeq 2~$fm. We neglect other channels that would be open when using physical masses in continuum. Assuming a resonance interpretation a Breit-Wigner fit to the phase shift gives the $a_1(1260)$ resonance mass $m_{a1}^{res}=1.435(53)(^{+0}_{-109})$ GeV compared to $m_{a1}^{exp}=1.230(40)$ GeV. The $a_1$ width $\Gamma_{a1}(s)=g^2 p/s$ is parametrized in terms of the coupling and we obtain $g_{a_1\rho\pi}=1.71(39)$ GeV compared to $g_{a_1\rho\pi}^{exp}=1.35(30)$ GeV derived from $\Gamma_{a1}^{exp}=425(175)$ MeV. In the $b_1$ channel, we find energy levels related to $\pi(0)\omega(0)$ and $b_1(1235)$, and the lowest level is found at $E_1 \gtrsim m_\omega+m_\pi$ but is within uncertainty also compatible with an attractive interaction. Lastly, assuming the coupling $g_{b_1\omega\pi}$ extracted from the experimental width we estimate $m_{b_1}^{res}=1.414(36)(^{+0}_{-83})$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Effect of cooling conditions on microstructure and mechanical properties of friction stir welded 7055 aluminium alloy joints

Highlights: • Water cooling improves tensile properties of friction stir welded 7055 Al alloy. • Water cooling results in smaller grains and second phase in nugget zone. • Water cooling results in finer second phase in thermos-mechanically affected zone. • Water cooling results in finer second phase in heat affected zone. • Fracture surface is flat for air-cooled joint but zig-zag for water-cooled one. - Abstract: The microstructure and mechanical properties of friction stir welded 7055 aluminium alloy under air cooling and water cooling were investigated by means of hardness and tensile testing, optical microscopy and transmission electron microscopy. Water cooling results in reduced softening in the weld zone and therefore higher tensile strength compared to air cooling. Fracture generally occurs within the thermo-mechanically affected zone (TMAZ) and heat affected zone (HAZ) on the retreating side in joints welded under air cooling but shifts towards the TMAZ and nugget zone (NZ) in the joints welded under water cooling. The fracture surfaces are generally flat for the air-cooled joint, but exhibits a zig-zag feature for the water-cooled joint. The mechanical behaviour of the weld has been discussed in light of the change in grain structure and precipitation in the NZ, TMAZ and HAZ caused by cooling conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite Solutions

Reactive nitrogen species (RNS), along with reactive oxygen species (ROS), are significant products from radiolysis in solution. While much research has been focused on biological systems, these species are also important products in the autoradiolysis that occurs in nuclear waste. In this work, we determine the correlation between solution constituents, particularly nitrite, and radical products in highly alkaline solutions relevant to liquid waste. Because these radicals tend to be very short-lived, we employ spin trapping in conjunction with electron paramagnetic resonance (EPR) to detect them and quantify their production. Most spin traps do not function in these conditions (>1 M NaOH); however, nitroalkanes such as nitromethane will act as spin traps in their aci form, which is dominant at high pH. To restrict the products to those originating from nitrite, we use 280–480 nm UV light to generate radicals, avoiding products from the photolysis of water. Under these circumstances, nitric oxide, nitrite radicals, and hydroxyl radicals are detected, and the trends with the concentration of the constituents of the solutions are tracked. These include nitrite, nitrate, hydroxide, and carbonate. We find that, while the equilibrium shifts with increasing pH from hydroxyl radicals to the more slowly reacting oxide radicals, the production of nitrite radicals does not decrease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Evolution of structural and optical properties of photocatalytic Fe doped TiO{sub 2} thin films prepared by RF magnetron sputtering

Undoped and Fe doped TiO{sub 2} thin films have been prepared by RF magnetron sputtering. Pure TiO{sub 2} thin film exhibited an amorphous-like nature. With increase in iron concentration (0–0.1 at%), the films exhibited better crystallization to anatase phase . Red shift of absorption edge was observed in the UV-vis transmittance spectra . At higher Fe concentration (0.5 at%), onset of phase transformation to rutile is noticed. Photocatalytic properties of pure and 0.1 at% Fe doped TiO{sub 2} thin films were investigated by degradation of methylene blue in UV light, visible light and light from Hg vapor lamp. 70% degradation of methylene blue was observed in the presence of Fe doped film in comparison with 3% degradation in presence of pure TiO{sub 2} film when irradiated using visible light for 2 h.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Bimolecular reaction of CH{sub 3} + CO in solid p-H{sub 2}: Infrared absorption of acetyl radical (CH{sub 3}CO) and CH{sub 3}-CO complex

We have recorded infrared spectra of acetyl radical (CH{sub 3}CO) and CH{sub 3}-CO complex in solid para-hydrogen (p-H{sub 2}). Upon irradiation at 248 nm of CH{sub 3}C(O)Cl/p-H{sub 2} matrices, CH{sub 3}CO was identified as the major product; characteristic intense IR absorption features at 2990.3 (ν{sub 9}), 2989.1 (ν{sub 1}), 2915.6 (ν{sub 2}), 1880.5 (ν{sub 3}), 1419.9 (ν{sub 10}), 1323.2 (ν{sub 5}), 836.6 (ν{sub 7}), and 468.1 (ν{sub 8}) cm{sup −1} were observed. When CD{sub 3}C(O)Cl was used, lines of CD{sub 3}CO at 2246.2 (ν{sub 9}), 2244.0 (ν{sub 1}), 1866.1 (ν{sub 3}), 1046.7 (ν{sub 5}), 1029.7 (ν{sub 4}), 1027.5 (ν{sub 10}), 889.1 (ν{sub 6}), and 723.8 (ν{sub 7}) cm{sup −1} appeared. Previous studies characterized only three vibrational modes of CH{sub 3}CO and one mode of CD{sub 3}CO in solid Ar. In contrast, upon photolysis of a CH{sub 3}I/CO/p-H{sub 2} matrix with light at 248 nm and subsequent annealing at 5.1 K before re-cooling to 3.2 K, the CH{sub 3}-CO complex was observed with characteristic IR features at 3165.7, 3164.5, 2150.1, 1397.6, 1396.4, and 613.0 cm{sup −1}. The assignments are based on photolytic behavior, observed deuterium isotopic shifts, and a comparison of observed vibrational wavenumbers and relative IR intensities with those predicted with quantum-chemical calculations. This work clearly indicates that CH{sub 3}CO can be readily produced from photolysis of CH{sub 3}C(O)Cl because of the diminished cage effect in solid p-H{sub 2} but not from the reaction of CH{sub 3} + CO because of the reaction barrier. Even though CH{sub 3} has nascent kinetic energy greater than 87 kJ mol{sup −1} and internal energy ∼42 kJ mol{sup −1} upon photodissociation of CH{sub 3}I at 248 nm, its energy was rapidly quenched so that it was unable to overcome the barrier height of ∼27 kJ mol{sup −1} for the formation of CH{sub 3}CO from the CH{sub 3} + CO reaction; a barrierless channel for formation of a CH{sub 3}-CO complex was observed instead. This rapid quenching poses a limitation in production of free radicals via bimolecular reactions in p-H{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗