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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Near-infrared and blue cooperative Yb3+ luminescence in Lu3Sc2Ga3O12 nano-garnets

Highlights: • Lu{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} nano-garnets doped with Yb{sup 3+} ions were synthesized by sol-gel method. • Concentration dependent structural and luminescence properties were investigated. • Variation of blue cooperative luminescence as a function of laser pump power has been studied. • Mechanism of blue cooperative luminescence of Yb{sup 3+} ions in these nano-garnets has been described. - Abstract: Nanocrystalline Lu{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} garnet powders doped with different concentrations of trivalent ytterbium (Yb{sup 3+}) ions have been prepared by sol-gel method. These garnet nano-powders have been characterized for their structural and luminescence properties using X-ray diffraction, diffuse reflectance and luminescence spectra. Near-infrared and blue cooperative upconversion luminescence spectra and decay curves of Yb{sup 3+} ions in these nano-garnets have been measured as a function of the optically active ion concentration. Quenching of near-infrared and cooperative luminescence intensity beyond 5.0 mol% of Yb{sup 3+} ion concentration have been observed. Variation of blue cooperative luminescence intensity with pump power has also been discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Lighting and visual comfort performance of commercially available tubular daylight devices

Tubular daylight devices (TDDs) require a much smaller roof opening than conventional skylights and, because of their highly reflective tube, they can deliver daylight farther away from the building envelope. This can provide lighting energy savings, increasing resilience in new and existing buildings. Different types and configurations are available amongst commercially available TDDs, including domes/diffusers with varying optical properties and the diameter of the TDD. This paper presents a comprehensive experimental evaluation of the lighting and visual comfort performance of multiple configurations of commercially available TDDs, varying dome type (prismatic and clear), diffuser type (Fresnel and prismatic), and diameter (53 and 35 cm), under a range of environmental conditions (different times of day/year, sky cover). Based on illuminance measurements, estimated lighting energy use is also presented. Results indicate that, for clear sky, light levels increase and energy use decreases with solar altitude (e.g., 16 Wh/m 2 daily energy use intensity on a high maximum daily solar altitude (MDSA) day and 34 Wh/m 2 on a low MDSA day) and TDD diameter (e.g., 34 Wh/m 2 and 69 Wh/m 2 for 53 cm and 35 cm TDDs, respectively, for low MDSA). The daily illuminance profile is more rounded for prismatic domes and has higher peaks for clear domes; this translates into a somewhat higher average daily useful daylight illuminance (DUDI) for prismatic domes (86 %) when compared to clear domes (80 %). No clear impact of diffuser type was apparent. In conclusion, measurements indicated no discomfort glare for any of the conditions tested.

14 SOLAR ENERGY↗
DOE OSTI2020

Direct Visualization of Current-Stimulated Oxygen Migration in YBa 2 Cu 3 O 7–δ Thin Films

The past years have witnessed major advancements in all-electrical doping control on cuprates. In the vast majority of cases, the tuning of charge carrier density has been achieved via electric field effect by means of either a ferroelectric polarization or using a dielectric or electrolyte gating. Unfortunately, these approaches are constrained to rather thin superconducting layers and require large electric fields in order to ensure sizable carrier modulations. In this work, we focus on the investigation of oxygen doping in an extended region through current-stimulated oxygen migration in YBa 2 Cu 3 O 7–δ superconducting bridges. The underlying methodology is rather simple and avoids sophisticated nanofabrication process steps and complex electronics. Here, a patterned multiterminal transport bridge configuration allows us to electrically assess the directional counterflow of oxygen atoms and vacancies. Importantly, the emerging propagating front of current-dependent doping δ is probed in situ by optical microscopy and scanning electron microscopy. The resulting imaging techniques, together with photoinduced conductivity and Raman scattering investigations, reveal an inhomogeneous oxygen vacancy distribution with a controllable propagation speed permitting us to estimate the oxygen diffusivity. These findings provide direct evidence that the microscopic mechanism at play in electrical doping of cuprates involves diffusion of oxygen atoms with the applied current. The resulting fine control of the oxygen content would permit a systematic study of complex phase diagrams and the design of electrically addressable devices.

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

Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6

Abstract While 3 d -containing materials display strong electron correlations, narrow band widths, and robust magnetism, 5 d systems are recognized for strong spin–orbit coupling, increased hybridization, and more diffuse orbitals. Combining these properties leads to novel behavior. Sr 3 NiIrO 6 , for example, displays complex magnetism and ultra-high coercive fields—up to an incredible 55 T. Here, we combine infrared and optical spectroscopies with high-field magnetization and first-principles calculations to explore the fundamental excitations of the lattice and related coupling processes including spin–lattice and electron–phonon mechanisms. Magneto-infrared spectroscopy reveals spin–lattice coupling of three phonons that modulate the Ir environment to reduce the energy required to modify the spin arrangement. While these modes primarily affect exchange within the chains, analysis also uncovers important inter-chain motion. This provides a mechanism by which inter-chain interactions can occur in the developing model for ultra-high coercivity. At the same time, analysis of the on-site Ir 4+ excitations reveals vibronic coupling and extremely large crystal field parameters that lead to a t 2 g -derived low-spin state for Ir. These findings highlight the spin–charge–lattice entanglement in Sr 3 NiIrO 6 and suggest that similar interactions may take place in other 3 d /5 d hybrids.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Elastic scattering by hot electrons and apparent lifetime of longitudinal optical phonons in gallium nitride

Longitudinal optical (LO) phonons in GaN generated in the channel of high electron mobility transistors (HEMT) are shown to undergo nearly elastic scattering via collisions with hot electrons. The net result of these collisions is the diffusion of LO phonons in the Brillouin zone causing reduction of phonon and electron temperatures. This previously unexplored diffusion mechanism explicates how an increase in electron density causes reduction of the apparent lifetime of LO phonons, obtained from the time resolved Raman studies and microwave noise measurements, while the actual decay rate of the LO phonons remains unaffected by the carrier density. Therefore, the saturation velocity in GaN HEMT steadily declines with increased carrier density, in a qualitative agreement with experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Nanoscale excitonic photovoltaic mechanism in ferroelectric BiFeO 3 thin films [Nanoscale excitonic mechanism underlying the bulk photovoltaic effect in ferroelectric BiFeO 3 thin films]

We report an electrode-free photovoltaic experiment in epitaxial BiFeO 3 thin films where the picosecond optical absorption arising from carrier dynamics and piezoelectric lattice distortion due to the photovoltaic field are correlated at nanoscale. The data strongly suggest that the photovoltaic effect in phase-pure BiFeO 3 originates from diffusion of charge-neutral excitons and their subsequent dissociation localized at sample interfaces. This is in stark contrast to the belief that carrier separation is uniform within the sample due to the lack of center of symmetry in BiFeO 3 . As a result, this finding is important for formulating strategies in designing practical photovoltaic ferroelectric devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Low Cost Corrugated Substrates for High Efficiency OLEDs (Final Report)

The external quantum efficiency (EQE) of a planar OLED is limited to 25%. Around 75% of the light is trapped in the substrate, waveguided and SPP modes. In this project, we demonstrated that nano-structures can significantly improve the EQE of OLEDs. The objective is to improve the EQE to 70% using corrugated substrate, low index layer incorporation and micro lens arrays. We conducted optical study of the operating devices using ARES measurement, and used the result to guide the design of corrugated substrates as well as the OLED stack for better performance. During the first year of the program, we have demonstrated over 60% EQE in a corrugated green OLED with half-ball lens for light extraction. By comparing, the optical characteristics of OLEDs fabricated on single and poly crystal corrugated structures, we confirm that the enhancement using corrugated substrates comes from waveguided and SPP modes extraction. To push the device EQE to 70%, further optimization of the corrugated substrate is needed. The extraction of waveguided and SPP modes are influenced by the corrugation pitch, depth and profile. Therefore, we developed a series of processes to precisely control the corrugation morphology. Through comparison of different corrugated substrates, we observed that while an abrupt surface profile results in stronger mode extraction, it also introduces strong leakage current; while a smooth profile are less efficient in mode extraction, it preserves the quality of an OLED. Based on these observations, we conclude that a single crystal hole corrugation results in optimum EQE % and low leakage current when planarized with PEDOT. To improve the extraction of waveguided mode, we also introduce a low index contrast layer (ICL) to increase the index contrast between corrugated ITO and glass interface. We optimized our recipe for the index contrast layer processing and reduced its refractive index from 1.50 to 1.38. As a result, the optimized device shows 47.6% EQE, which is 1.64 times higher than the reference planar device. By extracting the substrate mode with a hemispherical lens, we obtained an EQE of 71.6%, which is a 2.46 times enhancement. The cross-section SEM image reveals the high EQE is due to the formation of an air gap at the interface of the ICL, resulting in an increase of the index contrast to Δn ~ 1. We use angle-resolved electroluminescence spectroscopy (ARES) to demonstrate that the ICL improves the diffraction efficiency at the ITO/glass interface, extracts TM, TE waveguide and SPP mode more efficiently, and leads to the observed high efficiency. We also address the directional emission issue with the single crystalline microlens arrays (MLAs) by fabricating polycrystalline MLAs. The process uses colloidal assembly method to create a mono-layer of silica spheres, then uses PDMS stamps to replicate the pattern for multi-use imprinting. The MLAs are close-packed in short range but have random orientations in the long range. This avoids stronger extraction along the optical axes of single crystal MLAs and prevents the directional emission issue. We also demonstrate that the color shift induced by the corrugation can be minimized using MLAs. In this scenario, the MLAs work as diffuser to randomize the directional emission from extracted waveguide and SPP modes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Chandra Detection of Intracluster X-Ray sources in Virgo

We present a survey of X-ray point sources in the nearest and dynamically young galaxy cluster, Virgo, using archival Chandra observations that sample the vicinity of 80 early-type member galaxies. The X-ray source populations at the outskirts of these galaxies are of particular interest. We detect a total of 1046 point sources (excluding galactic nuclei) out to a projected galactocentric radius of ∼40 kpc and down to a limiting 0.5–8 keV luminosity of ∼2×10{sup 38} erg s{sup −1}. Based on the cumulative spatial and flux distributions of these sources, we statistically identify ∼120 excess sources that are not associated with the main stellar content of the individual galaxies, nor with the cosmic X-ray background. This excess is significant at a 3.5σ level, when Poisson error and cosmic variance are taken into account. On the other hand, no significant excess sources are found at the outskirts of a control sample of field galaxies, suggesting that at least some fraction of the excess sources around the Virgo galaxies are truly intracluster X-ray sources. Assisted with ground-based and HST optical imaging of Virgo, we discuss the origins of these intracluster X-ray sources, in terms of supernova-kicked low-mass X-ray binaries (LMXBs), globular clusters, LMXBs associated with the diffuse intracluster light, stripped nucleated dwarf galaxies and free-floating massive black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Particle and chemical control using tunnel flow

An apparatus for contaminant control, having: a first optical assembly including: a first light homogenizer tunnel with: a first end connected to an extreme ultra-violet light source, a second end in communication with a destination chamber, a first enclosed space, and, a first gas input arranged to introduce a first gas such that the first gas flows in a first direction toward the first end and in a second direction toward the second end. The apparatus alternately having: a second optical assembly including: a second light homogenizer tunnel with: a third end connected to an extreme ultra-violet light source, a fourth end in communication with a destination chamber, a second enclosed space, a diffusion barrier tube including: a fifth end facing the fourth end and a sixth end in communication with a destination chamber, and a second gas input between the second light homogenizer tunnel and the diffusion tube.

42 ENGINEERING↗
DOE OSTI2026

A Proof of the Asymptotic Variance of Path Length Estimators for Single-Collision Monte Carlo Source Iteration in the Thick Diffusion Limit

Here, we prove a theorem relating the variance of path length estimators for single-collision Monte Carlo source iteration to a parameter that becomes infinitesimally small in an important physical regime arising in radiative transfer. In our usage, “single-collision Monte Carlo source iteration” refers to Monte Carlo Boltzmann transport methods in which each Monte Carlo particle history includes no more than a single collision, and the physics of multiple scattering is modeled by lagging the scattering source term and iterating until this term converges. Our theorem can be used to construct variance reduction techniques which improve the order of the estimator variance. This enables calculations that would otherwise require impractically large sample sizes to achieve practical estimator uncertainties. We believe this is the first postulation of a theorem relating estimator variance to a limiting case parameter for single-collision Monte Carlo source iteration, and the first proof of such a theorem. We illustrate the theorem’s value with an example in which the authors of a transport method used the theorem to design a variance reduction technique that improved the uncertainty of their solution by a factor of about 500 for a proxy problem from radiative transfer that contains both optically-thick and optically-thin material.

Mathematics and Computing↗
DOE OSTI2017

Constraining Reionization with the z ~ 5–6 Ly α Forest Power Spectrum: The Outlook after Planck

The latest measurements of cosmic microwave background electron-scattering optical depth reported by Planck significantly reduces the allowed space of ${\rm{H}}\,{\rm{I}}$ reionization models, pointing toward a later ending and/or less extended phase transition than previously believed. Reionization impulsively heats the intergalactic medium (IGM) to $\sim {10}^{4}\,{\rm{K}}$, and owing to long cooling and dynamical times in the diffuse gas that are comparable to the Hubble time, memory of reionization heating is retained. Therefore, a late-ending reionization has significant implications for the structure of the $z\sim 5\mbox{-}6$ Lyα forest. Using state-of-the-art hydrodynamical simulations that allow us to vary the timing of reionization and its associated heat injection, we argue that extant thermal signatures from reionization can be detected via the Lyα forest power spectrum at $5\lt z\lt 6$. This arises because the small-scale cutoff in the power depends not only the the IGM temperature at these epochs, but is also particularly sensitive to the pressure-smoothing scale set by the IGM full thermal history. Comparing our different reionization models with existing measurements of the Lyα forest flux power spectrum at $z=5.0\mbox{-}5.4$, we find that models satisfying Planck's ${\tau }_{e}$ constraint favor a moderate amount of heat injection consistent with galaxies driving reionization, but disfavoring quasar-driven scenarios. We study the feasibility of measuring the flux power spectrum at $z\simeq 6$ using mock quasar spectra and conclude that a sample of ~10 high-resolution spectra with an attainable signal-to-noise ratio will allow distinguishing between different reionization scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Measurement of Temperature and Density Profiles of the Plasma at PR-2 Facility

A new system of probe diagnostics at linear plasma simulator PR-2 is described, allowing us to measure the profiles of plasma temperature and density in different cross sections of the plasma column. The Langmuir probe fixed to the movable part of the two-coordinate positioning system built into the PR-2 passes the region of the discharge area during the process of measuring plasma parameters. The overall dimensions of the positioning system make it possible to mount electrical probes (magnetic probes, optical fibers, and other diagnostic equipment) covering almost the entire volume of the vacuum chamber between the magnetic mirrors of the device. We present the measurement results of local plasma parameters of the beam-plasma discharge (BPD) for different values of the input power and working gas pressure. The boundaries of appearance of discharge of three types were determined: the diffusive BPD mode, the BPD mode, and the arc mode. Dependences of the plasma concentration and temperature on the input power for different values of pressure have been also determined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Two-dimensional overdamped fluctuations of the soft perovskite lattice in CsPbBr 3

Lead halide perovskites exhibit structural instabilities and large atomic fluctuations thought to impact their optical and thermal properties, yet detailed structural and temporal correlations of their atomic motions remain poorly understood. Here, these correlations are resolved in CsPbBr 3 crystals using momentum-resolved neutron and X-ray scattering measurements as a function of temperature, complemented with first-principles simulations. We uncover a striking network of diffuse scattering rods, arising from the liquid-like damping of low-energy Br-dominated phonons, reproduced in our simulations of the anharmonic phonon self-energy. Here, these overdamped modes cover a continuum of wave vectors along the edges of the cubic Brillouin zone, corresponding to two-dimensional sheets of correlated rotations in real space, and could represent precursors to proposed two-dimensional polarons. Further, these motions directly impact the electronic gap edge states, linking soft anharmonic lattice dynamics and optoelectronic properties. These results provide insights into the highly unusual atomic dynamics of halide perovskites, relevant to further optimization of their optical and thermal properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pool boiling critical heat flux studies of accident tolerant fuel cladding materials

Pool boiling experiments have been performed at atmospheric pressure on potential accident tolerant fuel (ATF) cladding materials (Zirlo®, Cr coated Zirlo®, FeCrAl coated Zirlo®, and monolithic SiC) to evaluate the Critical Heat Flux (CHF) points. Corrosion resistant coatings of Cr and FeCrAl alloy were deposited on flat Zirlo® samples using cold spray technology. The as-prepared samples after uniform surface polishing were subjected to autoclave tests at 360 °C water and 18.6 MPa for 360 h to simulate prototypic corrosion of the ATF cladding materials in LWR normal operation. Surface characteristics potentially influencing CHF such as surface morphology, roughness, static contact angle, and surface chemistry were characterized using a suite of characterization methods including scanning electron microscopy, 3D optical profilometry, optical contact angle measurements, and x-ray photoelectron spectroscopy (XPS). Thermo-physical properties of the samples such as density, thermal conductivity, and heat capacity were measured by differential scanning calorimetry and laser flash thermal diffusivity measurement. FeCrAl coatings showed CHF values comparable to bare Zirlo® samples, while slightly lower CHF values were observed for Cr coated samples and bulk SiC flats (produced by chemical vapor deposition, CVD). As-deposited Cr coatings showed 67% higher CHF than the as-polished Cr coatings due to its higher surface roughness level. The autoclave testing for the prepared samples generally increased the CHF except for the surface polished Cr coatings. Similar CHF values of bare Zirlo®, FeCrAl coating, and CVD SiC samples were observed after autoclave test but there were negligible change CHF of Cr coatings. XPS studies indicated that the formation or deposition of a few monolayers of hydrophobic carbonaceous species on surface can affect CHF values. The trends in CHF data are discussed in terms of evolution of the surface characteristics of the ATF materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Singlet Fission in a para -Azaquinodimethane-Based Quinoidal Conjugated Polymer

The exploitation of singlet fission (SF) in photovoltaic devices is restricted by the limited number of SF materials available and the conflicting requirement of intermolecular interactions to satisfy both efficient SF and subsequent triplet extraction. Intramolecular SF (iSF) represents an emerging alternative and may prove simpler to implement in devices. Here, on account of the excellent chemical structure tunability and solution processability, conjugated polymers have emerged as promising candidates for iSF materials despite being largely underexplored. It remains a significant challenge to develop SF-capable conjugated polymers and achieve efficient dissociation of the formed triplet pairs simultaneously. In this contribution, we present a new iSF material in a para-azaquinodimethane-based quinoidal conjugated polymer. Using transient optical techniques, we show that an ultrafast iSF process dominates the deactivation of the excited state in such polymer, featuring ultrafast population (<1 ps) and stepwise dissociation of triplet pairs. Notably, these multiexciton states could further diffuse apart to produce long-lived free triplets (tens of μs) in strongly coupled aggregates in solid thin film. Such findings not only introduce a new iSF-active conjugated polymer to the rare SF material family but also shed unique insight into interchain interaction-promoted triplet pair dissociation in aggregates of conjugated polymers, thus openning new avenues for developing next-generation SF-based photovoltaic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Asynchronous domain dynamics and equilibration in layered oxide battery cathode

To improve lithium-ion battery technology, it is essential to probe and comprehend the microscopic dynamic processes that occur in a real-world composite electrode under operating conditions. The primary and secondary particles are the structural building blocks of battery cathode electrodes. Their dynamic inconsistency has profound but not well-understood impacts. In this research, we combine operando coherent multi-crystal diffraction and optical microscopy to examine the chemical dynamics in local domains of layered oxide cathode. Our results not only pinpoint the asynchronicity of the lithium (de)intercalation at the sub-particle level, but also reveal sophisticated diffusion kinetics and reaction patterns, involving various localized processes, e.g., chemical onset, reaction front propagation, domains equilibration, particle deformation and motion. These observations shed new lights onto the activation and degradation mechanisms of state-of-the-art battery cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2018

The Impact of the Substrate Material on the Optical Properties of 2D WSe{sub 2} Monolayers

2D-materials, especially transition metal dichalcogenides (TMDs) have drawn a lot of attention due to their remarkable characteristics rendering them a promising candidate for optical applications. While the basic properties are understood up to now, the influence of the environment has not been studied in detail, yet. Here we highlight a systematic comparison of the optical properties of tungsten diselenide monolayers on different substrates. Subtle changes in the emission spectrum and Raman signature have been found as well as surprisingly pronounced differences in the pump-power-dependent and time-resolved output at higher excitation densities. For all samples, exciton–exciton annihilation can be obtained. Nevertheless an analysis of different pump-dependent decay rates suggests substrate-dependent changes in the diffusion constant as well as exciton Bohr radius.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Forecasting the Decay of Hybrid Perovskite Performance Using Optical Transmittance or Reflected Dark-Field Imaging

The practicality and economic viability of hybrid perovskite solar cells hinge on their operational lifetime, and methods for forecasting the performance of perovskites under different operational stresses are urgently needed. Here, we explore the evolution of material-level optoelectronic properties as MAPbI 3 degrades and discover universal behaviors where the carrier diffusion length (L D ) decays before quasi-Fermi-level splitting (ΔE F ), regardless of the specific stress protocol (oxygen, humidity, thermal stress, or a combination). We employ a machine learning greedy feature selection model that uses initially measured properties to predict the time it takes L D to decrease to 85% of its initial value with a prediction accuracy of 12.8%. This model reveals a strong correlation between the initial rate of transmittance change and the time until loss of transport. We translate this material-level finding to photovoltaic device-level forecasting by demonstrating that the rate of change of transmittance is equivalent to the rate of change of the spatial standard deviation of dark-field image intensity (i.e., scattered light intensity) collected in reflection mode (and thus applicable to devices with opaque contacts). Furthermore, this work demonstrates that transmittance and scattering methods are highly effective for accelerated material (and device) stability evaluation and forecasting.

14 SOLAR ENERGY↗