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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

HERSCHEL-ATLAS: TOWARD A SAMPLE OF {approx}1000 STRONGLY LENSED GALAXIES

While the selection of strongly lensed galaxies (SLGs) with 500 {mu}m flux density S{sub 500} > 100 mJy has proven to be rather straightforward, for many applications it is important to analyze samples larger than the ones obtained when confining ourselves to such a bright limit. Moreover, only by probing to fainter flux densities is it possible to exploit strong lensing to investigate the bulk of the high-z star-forming galaxy population. We describe HALOS (the Herschel-ATLAS Lensed Objects Selection), a method for efficiently selecting fainter candidate SLGs, reaching a surface density of {approx_equal} 1.5-2 deg{sup -2}, i.e., a factor of about 4-6 higher than that at the 100 mJy flux limit. HALOS will allow the selection of up to {approx}1000 candidate SLGs (with amplifications {mu} {approx}> 2) over the full H-ATLAS survey area. Applying HALOS to the H-ATLAS Science Demonstration Phase field ({approx_equal} 14.4 deg{sup 2}) we find 31 candidate SLGs, whose candidate lenses are identified in the VIKING near-infrared catalog. Using the available information on candidate sources and candidate lenses we tentatively estimate a {approx_equal} 72% purity of the sample. As expected, the purity decreases with decreasing flux density of the sources and with increasing angular separation between candidate sources and lenses. The redshift distribution of the candidate lensed sources is close to that reported for most previous surveys for lensed galaxies, while that of candidate lenses extends to redshifts substantially higher than found in the other surveys. The counts of candidate SLGs are also in good agreement with model predictions. Even though a key ingredient of the method is the deep near-infrared VIKING photometry, we show that H-ATLAS data alone allow the selection of a similarly deep sample of candidate SLGs with an efficiency close to 50%; a slightly lower surface density ({approx_equal} 1.45 deg{sup -2}) can be reached with a {approx}70% efficiency.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Energy Level Gradients from Surface to Bulk in Hybrid Metal-Halide Perovskite Thin Films

Variations in local strain, defect densities, and composition of hybrid metal-halide perovskites have been reported to create heterogeneous energy landscapes in thin films, which impact charge-carrier diffusion and recombination dynamics. Here, we employ one- and two-photon transient absorption spectroscopy to selectively probe the dynamics of charge carriers from surface and bulk regions of methylammonium lead bromide thin films. Differences in the transient absorption spectra indicate that an energy gradient of approximately 100 meV is formed between the higher band-gap surface and lower band-gap bulk regions. Thus, during their lifetime, photoexcited carriers move away from the surface to recombine in the bulk, where our experiments detect long-lived charge populations despite the significant band splitting that has conventionally been assumed to inhibit efficient radiative recombination. Supported by first-principles calculations, we demonstrate that bright emission can still arise from the bulk with states that occupy a wide range of momenta in the vicinity of the band extrema, which show strong dipole transitions. Our results report that photoexcitations in the hybrid perovskites avoid defect-rich surface regions, and that particularly strong emission is generated from accumulated excitation populations in the bulk. Published by the American Physical Society 2024

Bourelle, Sean A.↗
DOE OSTI2012

A monochromatic x-ray imaging system for characterizing low-density foams

In High Energy Density (HED) laser experiments, targets often require small, low-density, foam components. However, their limited size can preclude single component characterization, forcing one to rely solely on less accurate bulk measurements. We have developed a monochromatic imaging a system to characterize both the density and uniformity of single component low-mass foams. This x-ray assembly is capable of determining line-averaged density variations near the 1% level, and provides statistically identical results to those obtained at the Brookhaven's NSLS. This system has the added benefit of providing two-dimensional density data, allowing an assessment of density uniformity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Photoexcitation of bulk polarons in rutile TiO 2

The excitation of surface-localized polaronic states has recently been discussed as an additional photocatalytic channel to band gap excitation for rutile TiO 2 . A contribution from photoexcitation of bulk polarons could, in principle, provide a greater contribution because of their higher number and their protection from oxidation. However, determining such a contribution to the photoyield is challenging and has not been achieved thus far. In this work, we use two photon photoemission spectroscopy measurements to separate bulk and surface polaron photoexcitation. We find that bulk polarons are less bound by 0.2 eV compared with polarons at the surface, consistent with our results of hybrid density functional theory calculations. Because the excited state is also shifted to higher energy, bulk polarons have the same photoexcitation resonance energy as at the surface (3.6 eV) with a threshold at 3.1 eV. This is degenerate with the band gap, suggesting that bulk polarons could also provide an additional contribution to the photoyield.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Switching from batch to continuous granulation: A case study of metoprolol succinate ER tablets

Continuous manufacturing (CM) has been used to produce several immediate release drug products. No extended-release (ER) product manufactured employing CM technology has been approved yet. Herein this study investigated the critical aspects of switching from the batch mode of high shear granulation to the continuous operation of twin-screw granulation for extended-release tablets. Metoprolol succinate ER tablets was used as a model ER formulation for this purpose. A central composite design (CCD) was employed to determine the effects of high shear granulator (HSG) parameters, namely impeller speed, granulation time, and binder liquid feeding rate, on the critical granulation characteristics important for product performance. These critical granulation characteristics served as a guide for switching from the batch processing to the continuous operation for achieving the same breaking strength and dissolution for this ER metoprolol tablets. The granulation time was the most critical factor affecting the bulk properties of granules which contributed to tablet dissolution. The higher density and lower compressibility of granules were attained at the longest granulation time of 5.4 min with the fastest liquid feeding rate of 75 g/min. The granules’ density was the primary factor negatively affecting the dissolution of metoprolol tablets. However, the breaking strength of tablets confounded the effect of granules density on metoprolol dissolution. Switching the processing parameters of high shear granulation to twin-screw granulation achieved similar dissolution profiles (F2 greater than 50). The screw speed was not found to affect bulk properties of granules. The root cause of granulation failures in twin-screw granulation, such as premature consolidation, excessive swelling, poor cohesion, inconsistent shearing effects, and formation of deformed agglomerates, were identified. In conclusion, the use of critical granulation characteristics through a performance-based approach of ER tablets facilitated the switching of manufacturing of an ER formulation form batch to continuous operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Power and efficiency analysis of a realistic resonant tunneling diode thermoelectric

Low-dimensional systems with sharp features in the density of states have been proposed as a means for improving the efficiency of thermoelectric devices. Quantum dot systems, which offer the sharpest density of states achievable, however, suffer from low power outputs while bulk (3-D) thermoelectrics, while displaying high power outputs, offer very low efficiencies. Here, we analyze the use of a resonant tunneling diode structure that combines the best of both aspects, that is, density of states distortion with a finite bandwidth due to confinement that aids the efficiency and a large number of current carrying transverse modes that enhances the total power output. We show that this device can achieve a high power output (∼0.3 MW∕m{sup 2}) at efficiencies of ∼40% of the Carnot efficiency due to the contribution from these transverse momentum states at a finite bandwidth of kT∕2. We then provide a detailed analysis of the physics of charge and heat transport with insights on parasitic currents that reduce the efficiency. Finally, a comparison between the resonant tunneling diode and a quantum dot device with comparable bandwidth reveals that a similar performance requires ultra-dense areal quantum dot densities of ∼10{sup 12}/cm{sup 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Giant Bulk Photovoltaic Effect in Vinylene-Linked Hybrid Heterocyclic Polymer

The bulk photovoltaic effect refers to the generation of a steady photocurrent from a homogeneous noncentrosymmetric material. It offers an alternative to the traditional p–n junction-based photovoltaic mechanism to directly convert sunlight to electricity. In this work, we investigate the bulk photovoltaic effect in low-dimensional polar organic materials with first-principles density functional theory calculations and shift current theory. With a strategy designed to break the inversion symmetry along the polymer chain, we demonstrate that conjugated vinylene-linked hybrid heterocyclic polymers can produce a strong bulk photovoltaic response to light, outperforming benchmark inorganic materials. The high current density results from the delocalized wave functions, composed mainly of carbon p orbitals. The great structural and electronic flexibility of polymers offers a robust paradigm to enhance the shift current response through chemical and physical modifications. The development of polymer blends with polymers of different band gaps potentially enables the utilization of the whole visible light spectrum for energy conversion.

14 SOLAR ENERGY↗
NASA NTRS1992

Effects on LDEF exposed copper film and bulk

Two forms of copper were exposed to the Long Duration Exposure Facility (LDEF) Mission 1 environment: a copper film initially 74.2 plus or minus 1.1 nm thick sputter coated on a fused silical flat and a bulk piece of oxygen free, high conductivity (OFHC) copper. The optical density of the copper film changed from 1.33 to 0.70 where exposed and the film thickness increased to 106.7 plus or minus 0.5 nm where exposed. The exposed area appears purple by reflection and green by transmission for the thin film and maroon color for the bulk copper piece. The exposed areas increased in thickness, but only increase in the thickness of thin film samples could be readily measured. The increase in film thickness is consistent with the density changes occurring during conversion of copper to an oxide. However, we have not been able to confirm appreciable conversion to an oxide by x ray diffraction studies. We have not yet subjected the sample to e-beams or more abusive conditions out of concern that the film might be modified.

Peters, Palmer N.↗
DOE OSTI2016

Photocurrent response of B{sub 12}As{sub 2} crystals to blue light, and its temperature- dependent electrical characterizations

With the global shortage of {sup 3}He gas, researchers worldwide are looking for alternative materials for detecting neutrons. Among the candidate materials, semiconductors are attractive because of their light weight and ease in handling. Currently, we are looking into the suitability of boron arsenide (B{sub 12}As{sub 2}) for this specific application. As the first step in evaluating the material qualitatively, the photo-response of B{sub 12}As{sub 2} bulk crystals to light with different wavelengths was examined. The crystals showed photocurrent response to a band of 407- and 470- nm blue light. The maximum measured photoresponsivity and the photocurrent density at 0.7 V for 470 nm blue light at room temperature were 0.25 A ⋅ W{sup −1} and 2.47 mA ⋅ cm{sup −2}, respectively. In addition to photo current measurements, the electrical properties as a function of temperature (range: 50-320 K) were measured. Reliable data were obtained for the low-temperature I-V characteristics, the temperature dependence of dark current and its density, and the resistivity variations with temperature in B{sub 12}As{sub 2} bulk crystals. The experiments showed an exponential dependence on temperature for the dark current, current density, and resistivity; these three electrical parameters, respectively, had a variation of a few nA to μA, 1-100 μA ⋅ cm{sup −2} and 7.6x10{sup 5}-7.7x10{sup 3} Ω ⋅ cm, for temperature increasing from 50 K to 320 K. The results from this study reported the first photoresponse and demonstrated that B{sub 12}As{sub 2} is a potential candidate for thermal-neutron detectors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Lithium Spatial Distribution and Split-Off Electronic Bands at Nanoscale V 2 O 5 /LiPON Interfaces

A combination of depth-resolved cathodoluminescence spectroscopy (DRCLS) and X-ray photoemission depth profiling (XPS) measured the pronounced changes in both the electronic density of states and lithium composition near the nanoscale LixV2O5/LiPON interface. DRCLS studies of electrochemically lithiated bare V2O5 and the sputterdeposited V2O5 plus LiPON overlayer electrochemically lithiated in stages both showed that in the bulk the luminescence intensity of the “split-off” hybridized bonding density of states was anticorrelated with XPSmeasured Li content, decreasing as the Li content increased. However, the LiPON overlayer was found to modify the band structure of the underlying LixV2O5 (LVO) to a depth of at least 30 nm beneath the V2O5 interface. DRCLS spectra near the electrochemically lithiated LiPON/ LVO interface showed a significant intensity of the split-off band, implying a low Li content. However, XPS depth profiling revealed a pronounced negative gradient of Li extending from a maximum Li content at the intimate LiPON boundary to its lowest content of ∼30 nm into the V2O5 in the same region, indicating a strong interaction between band structure and Li electrochemical potential near this heterojunction. These results provide evidence for substantial effects on the local band structure near an electrolyte/cathode interface and insights into the electrochemical interface behavior of solid-state batteries in general.

25 ENERGY STORAGE↗
NASA NTRS1975

Damage coefficients in low resistivity silicon

Electron and proton damage coefficients are determined for low resistivity silicon based on minority-carrier lifetime measurements on bulk material and diffusion length measurements on solar cells. Irradiations were performed on bulk samples and cells fabricated from four types of boron-doped 0.1 ohm-cm silicon ingots, including the four possible combinations of high and low oxygen content and high and low dislocation density. Measurements were also made on higher resistivity boron-doped bulk samples and solar cells. Major observations and conclusions from the investigation are discussed.

Srour, J. R.↗
DOE OSTI2025

Superconducting Density of States of PtPb 4

PtPb 4 is a type II superconductor with a bulk critical temperature T c ≈ 3 K and an upper critical field of H c2 = 0.36 T. PtPb 4 is related to non-superconducting PtSn 4 , which presents nodal arc states at the surface. Here, we measure the superconducting density of states of PtPb 4 using millikelvin Scanning Tunneling Microscopy (STM). We observe a fully opened superconducting gap of Δ = 0.48 meV similar to expectations from Bardeen, Cooper and Schrieffer (BCS) theory (Δ 0 = 1.76k B T c = 0.49 meV). Measurements under magnetic fields applied perpendicular to the surface show a spatially inhomogeneous gap structure, presenting superconducting signatures at fields as high as 1.5 T, significantly above H c2 = 0.36 T. On some locations, we find that the superconducting density of states does not vanish above T c . We can find signatures of a superconducting gap up to 5 K. We discuss possible reasons for the observation of superconducting properties above T c and H c2 , emphasizing the role played by structural defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Sustainable upcycling of polyethylene waste to compatibilizers and valuable chemicals

Controllable functionalization of polyethylene (PE) waste could generate new polymeric materials that are generally difficult to manufacture sustainably while also addressing the growing plastics waste problem. However, these modifications remain challenging due to the inherent stability of the PE backbone. Non-thermal atmospheric plasma enables molecular activation under mild conditions while utilizing renewable energy but is primarily employed for surface modification, as plasmas do not penetrate the bulk of materials. Herein, controllable bulk oxidative functionalization of PE wax (PEW) and low-density PE (LDPE) of varying molecular weights was achieved, with up to 6 mol% oxygen incorporation, by manipulating melt viscosity. This functionalization was accomplished either through temperature adjustment or by introducing a melt viscosity modifier, removable via simple extraction methods, to reduce LDPE viscosity, enhance diffusion and chain mobility, and enable bulk oxidation. The oxidized LDPE induces compatibilization in blends of poly(lactic acid) (PLA) and LDPE with improved interfacial adhesion and mechanical properties, such as a 70% increase in elongation-at-break values vs. the control. These findings pave the way for catalyst-free upcycling of direct plastics waste and plastics waste-derived products, enabling the creation of high-value products across various markets.

Plastic upcycling↗
DOE OSTI2025

Increasing the deuterated potassium dihydrogen phosphate crystal laser resistance by an additional conditioning with nanosecond pulses

Laser conditioning with 355-nm sub-nanosecond laser light is a well-known procedure to increase the bulk laser-induced damage resistance of deuterated potassium dihydrogen phosphate (DKDP) crystals. In this study, we investigate a new process to further increase the bulk damage resistance of DKDP crystals by performing additional conditioning with a 6.7-ns 355-nm laser after first conditioning with a 500-ps 355-nm laser. Here, damage tests (using both small and large beams) show that the second nanosecond conditioning raster increased the fluence required to produce the same density (large beam test) and probability (small beam test) of bulk damage by ∼30%.

Crystals↗
DOE OSTI2016

Assessing Hubbard-corrected AM05+ U and PBEsol+ U density functionals for strongly correlated oxides CeO 2 and Ce 2 O 3

The structure–property relationships of bulk CeO 2 and Ce 2 O 3 have been investigated using AM05 and PBEsol exchange–correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+ U ) and density functional perturbation theory (DFPT+ U ). Compared with conventional PBE+ U , RPBE+ U , PW91+ U and LDA+ U functionals, AM05+ U and PBEsol+ U describe experimental crystalline parameters and properties of CeO 2 and Ce 2 O 3 with superior accuracy, especially when + U is chosen close to its value derived by the linear-response approach. Lastly, the present findings call for a reexamination of some of the problematic oxide materials featuring strong f- and d-electron correlation using AM05+ U and PBEsol+ U .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Electron density measurements and calculations in a helium capacitively-coupled radio-frequency plasma

We report a comparison of inferred electron density (n e ) in a He capacitively-coupled plasma, deduced from laser-collision induced fluorescence measurements, with values computed using a hybrid simulation framework based on particle-in-cell/Monte Carlo collisions simulations and a fluid model for excited He atoms. The studies were carried out for gas pressures between 50 mTorr and 1000 mTorr and peak-to-peak radio-frequency (13.56 MHz) voltages between 150 V and 350 V, in a highly symmetric source equipped with plane-parallel electrodes. A good agreement is found between the experimental and modeling results for n e except at the lowest operating voltages and gas pressures. The (effective) electron temperature (T e ) values derived by the two methods agree as well reasonably within the plasma bulk. The simulation results are used to compare the density distributions of He + and various He excited levels and their major populating and de-populating channels at 100 mTorr and 1000 mTorr.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Scan strategies in EBM-printed IN718 and the physics of bulk 3D microstructure development

Three-dimensional (3D) characterization provides opportunities for understanding processing-structure relationships in additively manufactured (AM) materials. Bulk samples of Inconel 718 were fabricated via electron beam melting (EBM) in order to study microstructural development as a function of energy input and beam scan strategy. TriBeam tomography of bulk Inconel 718 microstructures built under steady-state growth conditions reveals the sensitivity of microstructure formation and evolution to machine process parameters. Here, samples manufactured using a narrow range of energy input per unit build area result in varied grain morphologies and crystallographic textures. Using TRUCHAS, a thermal simulation software, the thermal history of bulk scan strategies was predicted, and combined with a calibrated microstructure-processing map to accurately predict bulk grain morphologies. The solidification parameters and the 3D measured nucleation density are used to predict the transition between columnar and equiaxed grain morphologies, providing a process map to guide AM parameter choices to locally control as-printed microstructure. A two-dimensional metric for characterizing bulk grain morphology was also found to agree well with predictions from the process map calibrated by 3D data. Combined with 3D tomography and thermal modelling, the physics of structure development were understood at a new level of detail with respect to the competing processes of grain nucleation and epitaxial growth.

36 MATERIALS SCIENCE↗