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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Geothermal reservoir characterization using distributed temperature sensing at Brady Geothermal Field, Nevada

Distributed temperature sensing (DTS) systems provide near real-time data collection that captures borehole spatiotemporal temperature dynamics. For this study, temperature data was collected in an observation well at an active geothermal site for a period of eight days under geothermal production conditions. Collected temperature data showcase the ability of DTS systems to detect changes to the location of the steam-water interface, visualize borehole temperature recovery — following injection of a coldwater “slug” — and identify anomalously warm and/or cool zones. The high sampling rate and spatial resolution of DTS data also shows borehole temperature dynamics that are not captured by traditional pressure-temperature survey tools. Inversion of thermal recovery data using a finite-difference heat-transfer model produces a thermal-diffusivity profile that is consistent with laboratorymeasured values and correlates with identified lithologic changes within the borehole. Used alone or in conjunction with complementary data sets, DTS systems are useful tools for developing a better understanding of both reservoir rock thermal properties as well as within and near borehole fluid movement.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

An improved random walk algorithm for the implicit Monte Carlo method

In this work, we introduce a modified Implicit Monte Carlo (IMC) Random Walk (RW) algorithm, which increases simulation efficiency for multigroup radiative transfer problems with strongly frequency-dependent opacities. To date, the RW method has only been implemented in “fully-gray” form; that is, the multigroup IMC opacities are group-collapsed over the full frequency domain of the problem to obtain a gray diffusion problem for RW. This formulation works well for problems with large spatial cells and/or opacities that are weakly dependent on frequency; however, the efficiency of the RW method degrades when the spatial cells are thin or the opacities are a strong function of frequency. To address this inefficiency, we introduce a RW frequency group cutoff in each spatial cell, which divides the frequency domain into optically thick and optically thin components. In the modified algorithm, opacities for the RW diffusion problem are obtained by group-collapsing IMC opacities below the frequency group cutoff. Particles with frequencies above the cutoff are transported via standard IMC, while particles below the cutoff are eligible for RW. This greatly increases the total number of RW steps taken per IMC time-step, which in turn improves the efficiency of the simulation. We refer to this new method as Partially-Gray Random Walk (PGRW). We present numerical results for several multigroup radiative transfer problems, which show that the PGRW method is significantly more efficient than standard RW for several problems of interest. In general, PGRW decreases runtimes by a factor of ∼2–4 compared to standard RW, and a factor of ∼3–6 compared to standard IMC. While PGRW is slower than frequency-dependent Discrete Diffusion Monte Carlo (DDMC), it is also easier to adapt to unstructured meshes and can be used in spatial cells where DDMC is not applicable. This suggests that it may be optimal to employ both DDMC and PGRW in a single simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

CdCl 2 passivation of polycrystalline CdMgTe and CdZnTe absorbers for tandem photovoltaic cells

As single-junction silicon solar cells approach their theoretical limits, tandems provide the primary path to higher efficiencies. CdTe alloys can be tuned with magnesium (CdMgTe) or zinc (CdZnTe) for ideal tandem pairing with silicon. A II-VI/Si tandem holds the greatest promise for inexpensive, high-efficiency top cells that can be quickly deployed in the market using existing polycrystalline CdTe manufacturing lines combined with mature silicon production lines. Currently, all high efficiency polycrystalline CdTe cells require a chloride-based passivation process to passivate grain boundaries and bulk defects. This research examines the rich chemistry and physics that has historically limited performance when extending Cl treatments to polycrystalline 1.7-eV CdMgTe and CdZnTe absorbers. A combination of transmittance, quantum efficiency, photoluminescence, transmission electron microscopy, and energy-dispersive X-ray spectroscopy clearly reveals that during passivation, Mg segregates and out-diffuses, initially at the grain boundaries but eventually throughout the bulk. CdZnTe exhibits similar Zn segregation behavior; however, the onset and progression is localized to the back of the device. After passivation, CdMgTe and CdZnTe can render a layer that is reduced to predominantly CdTe electro-optical behavior. Furthermore, contact instabilities caused by inter-diffusion between the layers create additional complications. The results outline critical issues and paths for these materials to be successfully implemented in Si-based tandems and other applications.

14 SOLAR ENERGY↗
DOE OSTI2019

Circular dichroism in the presence of resonant Mie scatterers

Unpolarised light propagation is considered in a circularly dichroic medium with optically isotropic Mie-particles. The degree of passed radiation polarisation is calculated under the assumption that multiple scattering in such a system occurs in the spatial diffusion regime. It is shown that introducing Mie particles into a homogeneous sample with natural optical activity can noticeably enhance the observed circular dichroism, namely, increase a difference between the intensities of right- and left-handed polarised light passed through the medium. If the first Kerker condition is fulfilled for Mie particles, then the effect can be almost ten times stronger as compared to the case of a homogeneous sample. (radiation scattering)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Photoinduced Domain Pattern Transformation in Ferroelectric-Dielectric Superlattices

The nanodomain pattern in ferroelectric/dielectric superlattices transforms to a uniform polarization state under above-bandgap optical excitation. X-ray scattering reveals a disappearance of domain diffuse scattering and an expansion of the lattice. Furthermore, the reappearance of the domain pattern occurs over a period of seconds at room temperature, suggesting a transformation mechanism in which charge carriers in long-lived trap states screen the depolarization field. A Landau-Ginzburg-Devonshire model predicts changes in lattice parameter and a critical carrier concentration for the transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Investigation to the Structural, Optical, and Magnetic Properties of Synthesized Ni-Doped Anatase Nanoparticles: Essential Role of Treatment in Hydrogen on Long-Range Ferromagnetic Order

Nanocomposite powders of anatase TiO{sub 2} doped with Ni ions (TiO{sub 2}:Ni) were synthesized by facile thermal co-decomposition of a mixture of metals complexes. The X-ray diffraction (XRD) analyses using the Rietveld method confirm the formation of almost single nanocrystalline anatase structure. Anatase TiO{sub 2} incorporated with Ni ions (TiO{sub 2}:Ni) illustrated the formation of a substitutional solid solutions (SSS). The diffuse reflection spectroscopy (DRS) method used to study the optical properties of the prepared samples revealed a redshift associated with Ni doping and hydrogenation, which is explained by the creation of point defects including O-vacancies. This study showed the essential importance of hydrogenation process in order to create or boost room-temperature ferromagnetism (RT-FM). The magnetic measurements indicated that anatase TiO{sub 2} doped with 4.8 mol% Ni produce a magnetic saturation of 0.84 emu/g, which is a remarkable result compared with that related to the similar studies on doped TiO{sub 2}.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Two schemes for quantitative photoacoustic tomography based on Monte Carlo simulation

Purpose: The aim of this study was to develop novel methods for photoacoustically determining the optical absorption coefficient of biological tissues using Monte Carlo (MC) simulation. Methods: In this study, the authors propose two quantitative photoacoustic tomography (PAT) methods for mapping the optical absorption coefficient. The reconstruction methods combine conventional PAT with MC simulation in a novel way to determine the optical absorption coefficient of biological tissues or organs. Specifically, the authors’ two schemes were theoretically and experimentally examined using simulations, tissue-mimicking phantoms, ex vivo, and in vivo tests. In particular, the authors explored these methods using several objects with different absorption contrasts embedded in turbid media and by using high-absorption media when the diffusion approximation was not effective at describing the photon transport. Results: The simulations and experimental tests showed that the reconstructions were quantitatively accurate in terms of the locations, sizes, and optical properties of the targets. The positions of the recovered targets were accessed by the property profiles, where the authors discovered that the off center error was less than 0.1 mm for the circular target. Meanwhile, the sizes and quantitative optical properties of the targets were quantified by estimating the full width half maximum of the optical absorption property. Interestingly, for the reconstructed sizes, the authors discovered that the errors ranged from 0 for relatively small-size targets to 26% for relatively large-size targets whereas for the recovered optical properties, the errors ranged from 0% to 12.5% for different cases. Conclusions: The authors found that their methods can quantitatively reconstruct absorbing objects of different sizes and optical contrasts even when the diffusion approximation is unable to accurately describe the photon propagation in biological tissues. In particular, their methods are able to resolve the intrinsic difficulties that occur when quantitative PAT is conducted by combining conventional PAT with the diffusion approximation or with radiation transport modeling.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Low-diffusion Xe-He gas mixtures for rare-event detection: electroluminescence yield

High pressure xenon Time Projection Chambers (TPC) based on secondary scintillation (electroluminescence) signal amplification are being proposed for rare event detection such as directional dark matter, double electron capture and double beta decay detection. The discrimination of the rare event through the topological signature of primary ionisation trails is a major asset for this type of TPC when compared to single liquid or double-phase TPCs, limited mainly by the high electron diffusion in pure xenon. Helium admixtures with xenon can be an attractive solution to reduce the electron diffusion significantly, improving the discrimination efficiency of these optical TPCs. We have measured the electroluminescence (EL) yield of Xe-He mixtures, in the range of 0 to 30% He and demonstrated the small impact on the EL yield of the addition of helium to pure xenon. For a typical reduced electric field of 2.5 kV/cm/bar in the scintillation region, the EL yield is lowered by ~ 2%, 3%, 6% and 10% for 10%, 15%, 20% and 30% of helium concentration, respectively. This decrease is less than what has been obtained from the most recent simulation framework in the literature. The impact of the addition of helium on EL statistical fluctuations is negligible, within the experimental uncertainties. The present results are an important benchmark for the simulation tools to be applied to future optical TPCs based on Xe-He mixtures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Macro-level mechanical interlocking: A rapid joining approach for additively manufactured compression molded composite panels

Composite joining typically involves multiple steps, such as drilling and surface treatment, as part of the manufacturing process, which leads to low throughput and long cycle times. In the present study, we demonstrated a macro-level mechanical interlocking (MI) based, rapid joining technique to assemble additively manufactured compression molded (AMCM) panels, enabling the production of parts larger than the mold dimensions. Composite panels made of 20 wt% short carbon fiber reinforced acrylonitrile butadiene styrene (CF/ABS) were joined using MI features of various geometries, namely tree (TR), dovetail (Dov), rectangle 2 (Rect2), and rectangle 1 (Rect1), and their in-plane strength was evaluated. The resultant strength of the tested MI joints reached up to 74 % of the baseline tensile strength (i.e., the ‘no joint’ case). Observations from optical and scanning electron microscopy revealed inadequate polymer diffusion between the adherends, indicating that the joint strength was primarily derived from mechanical interlocking. Additionally, the fracture surfaces exhibited stress-whitening marks, which were characterized using differential scanning calorimetry (DSC). The increase in melting enthalpy suggested local stretching of polymer chains due to MI. Finite element analysis (FEA) indicated that the Rect1 MI feature, which generated the lowest stress concentration, outperformed the others in terms of joint strength, achieving 42 MPa. As a demonstration of the MI joining method, a battery box tray measuring 108 cm × 34 cm using a mold with an effective dimension of 36 cm × 34 cm successfully manufactured, resulting in a part with an area three times larger than the mold. In conclusion, this study presents a promising approach to improving composite joining techniques while minimizing production complexities.

In-plane joining↗
DOE OSTI2022

Semi Transparent Three-Dimensional Macroporous Quaternary Oxynitride Photoanodes for Photoelectrochemical Water Oxidation

Semi transparent three-dimensional macroporous (3DM) photoanodes based on quaternary oxynitrides have the potential to simultaneously realize superior light harvesting and efficient charge transfer in a tandem photoelectrochemical (PEC) cell. A 3DM CaTaO 2 N photoanode was prepared for the first time on a GaN/Al 2 O 3 substrate via a chemical route, and it exhibits a high transmittance of >60% in the wide solar spectrum and a photoresponse onset at −0.3 V versus the reversible hydrogen electrode (V RHE ) under simulated solar illumination. In particular, a plateau photocurrent density of 0.21 mA cm –2 was achieved at a low potential of 0.4 V RHE , which was 1.6-fold and more than 50-fold higher than a two-dimensional macroporous (2DM) CaTaO 2 N/GaN/Al 2 O 3 photoanode and a conventional particle-based CaTaO 2 N/GaN/Al 2 O 3 photoanode, respectively. The bicontinuous, interconnected pore structure within this 3DM film can improve charge carrier separation and collection by reducing the average diffusion distance for minority carriers toward the electrolyte. Optical measurements and simulations verified the enhanced sunlight harvesting in the 3DM photoanode, which was ascribed to the concentrated distribution of the electric field and multiple scattering. Furthermore, this study provides guidance for future synthesis of highly efficient semitransparent 3DM quaternary oxynitride-based photoanodes for a tandem PEC device.

Layers↗
DOE OSTI2026

Electrode Modification by Laser Ablation to Overcome Mechanical and Scalability Limitations of Solid-State Prealkylation of Electrode Architectures

In this work, laser ablation of Si electrode surfaces is utilized to provide localized strain relief during the Solid State Prealkylation of Electrode Architectures (SPEAR) process, in addition to volumetric expansion relief in the form of free volume channels across the electrode. A hexagonal mesh patterning was employed via laser ablation, where the hexagonal diameter (pitch) was varied from 250 to 1000 µm. It was demonstrated that these channels serve as expansion voids, accommodating the increase in electrode thickness observed during SPEAR and preventing cracking at the electrode surface. Optical microscopy and Raman mapping confirm that Li diffusion is the rate-limiting solid-state process, requiring a 24 h rest period to achieve homogeneous LixSi alloying through the electrode bulk. Electrochemical evaluations in full cells show that a 1000 μm pitch pattern yields a high initial discharge capacity of 2485 mA h g–1 and 86.4% capacity retention after 80 cycles, whereas smaller pitches (<500 μm) result in lithium plating at 4.1 V in full cells paired with NMC 811 due to excessive current collector exposure from the ablation process. XPS analysis reveals that the laser treatment modifies the electrode surface by increasing the Si–O and C–O species, changing the SEI composition observed via an increase in fluorophosphates upon cycling.

Musgrove, Amanda [ORNL] (ORCID:0009000220910389)↗
DOE OSTI2017

Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics

Using small-molecule donor (SMD) semiconductors in organic photovoltaics (OPVs) has historically afforded lower power conversion efficiencies (PCEs) than their polymeric counterparts. The PCE difference is attributed to shorter conjugated backbones, resulting in reduced intermolecular interactions. Here, a new pair of SMDs is synthesized based on the diketopyrrolopyrrole-benzodithiophene-diketopyrrolopyrrole (BDT-DPP2) skeleton but having fluorinated and fluorinefree aromatic side-chain substituents. Ternary OPVs having varied ratios of the two SMDs with PC61BM as the acceptor exhibit tunable open-circuit voltages (Vocs) between 0.833 and 0.944 V due to a fluorination-induced shift in energy levels and the electronic “alloy” formed from the miscibility of the two SMDs. A 15% increase in PCE is observed at the optimal ternary SMD ratio, with the short-circuit current density (Jsc) significantly increased to 9.18 mA/cm2. The origin of Jsc enhancement is analyzed via charge generation, transport, and diffuse reflectance measurements, and is attributed to increased optical absorption arising from a maximum in film crystallinity at this SMD ratio, observed by grazing incidence wide-angle X-ray scattering.

14 SOLAR ENERGY↗
DOE OSTI2018

Frequency-selective excitation of high-wavevector phonons

We demonstrate here the selective excitation of a narrow frequency band of TA phonons throughout the Brillouin zone of germanium using a sinusoidally modulated picosecond laser pulse. The pulse is produced through the combination of two chirped and delayed pulses using a stabilized interferometer. The phonon excitations are probed by time- and momentum- resolved x-ray diffuse scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigation of long-term light stability of negative charge injected into oxide-nitride-oxide passivation stack of crystalline silicon solar cells

A negatively charged oxide-nitride-oxide stack for field-effect passivation of crystalline silicon solar cells is discussed. The negative charge was injected into the stack by a plasma charge injection technology. Charge stability was studied by exposing samples to AM1.5 simulation visible light and full-spectrum light at temperatures ranging from 55 to 78 °C for up to 300 h. Charge injection and loss were quantified based on shifts in the flatband voltage of capacitance–voltage curves measured with a mercury probe. The most probable mechanism of charge loss was found to be diffusion of negative charged hydrogen atoms through nitride and bottom oxide. The optimum recipe for each layer of the stack was investigated to minimize the loss of injected charge. The flatband voltage decay of the optimized stack was found to fit a power-law trend, suggesting the dispersive transport of hydrogen atoms with a dispersion parameter of ~0.06–0.07. The optimized stack is projected to maintain a negative charge density of about 3.6 × 10 12 cm –2 or more after 25 years of field operation in an environment such as Arizona, which would be sufficient for field-effect passivation under one-sun illumination. Furthermore, the high stability of the negative injected charge makes the plasma charging technology a safer and lower cost alternative to Al 2 O 3 -passivation technology commonly used to passivate p-type surfaces.

14 SOLAR ENERGY↗
DOE OSTI2017

The Peculiar Filamentary H i Structure of NGC 6145

In this paper, we report the peculiar H i morphology of the cluster spiral galaxy NGC 6145, which has a 150 kpc H i filament on one side that is nearly parallel to its major axis. This filament is made up of several H i clouds and the diffuse H i gas between them, with no optical counterparts. We compare its H i distribution with other one-sided H i distributions in the literature and find that the overall H i distribution is very different from the typical tidal and ram-pressure stripped H i shape, and that its morphology is inconsistent with that of a pure accretion event. Only ∼30% of the total H i gas is anchored on the stellar disk, while most of the H i gas forms the filament in the west. At a projected distance of 122 kpc, we find a massive elliptical companion (NGC 6146) with extended radio emission whose axis points to an H i gap in NGC 6145. The velocity of the H i filament shows an overall line-of-sight motion of 80–180 km s{sup −1} with respect to NGC 6145. Using the long-slit spectra of NGC 6145 along its major stellar axis, we find that some outer regions show enhanced star formation, while in contrast, almost no star formation activities are found in its center (<2 kpc). Pure accretion, tidal, or ram-pressure stripping are not likely to produce the observed H i filament. An alternative explanation is the jet stripping from NGC 6146, although direct evidence for a jet-cold gas interaction has not been found.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Overcoming diffusion-related limitations in semiconductor defect imaging with phonon-plasmon-coupled mode Raman scattering

Carrier diffusion is of paramount importance in many semiconductor devices, such as solar cells, photodetectors, and power electronics. Structural defects prevent such devices from reaching their full performance potential. Although a large carrier diffusion length indicates high material quality, it also implies increased carrier depletion by an individual extended defect (for instance, a dislocation) and obscures the spatial resolution of neighboring defects using optical techniques. For commonly utilized photoluminescence (PL) imaging, the spatial resolution is dictated by the diffusion length rather than by the laser spot size, no matter the spot is at or below the diffraction limit. We show how Raman imaging of the LO phonon-plasmon-coupled mode can be used to recover the intrinsic spatial resolution of the optical system, and we demonstrate the effectiveness of the technique by imaging defects in GaAs with diffraction-limited optics, achieving a 10-fold improvement in resolution. Furthermore, by combining Raman and PL imaging, we can independently and simultaneously determine the spatial dependence of the electron density, hole density, radiative recombination rate, and non-radiative recombination rate near a dislocation-like defect, which has not been possible using other techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Observation of photo-induced plasmon–phonon coupling in PbTe via ultrafast x-ray scattering

We report the observation of photo-induced plasmon–phonon coupled modes in the group IV–VI semiconductor PbTe using ultrafast x-ray diffuse scattering at the Linac Coherent Light Source. We measure the near-zone-center excited-state dispersion of the heavily screened longitudinal optical (LO) phonon branch as extracted from differential changes in x-ray diffuse scattering intensity following above bandgap photoexcitation. We suggest that upon photoexcitation, the LO phonon-plasmon coupled (LOPC) modes themselves become coupled to longitudinal acoustic modes that drive electron band shifts via acoustic deformation potentials and possibly to low-energy single-particle excitations within the plasma and that these couplings give rise to displacement-correlations that oscillate in time with a period given effectively by the heavily screened LOPC frequency.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Concentration nonlinearity of a suspension of transparent microspheres under the action of a gradient force in a periodically modulated laser field

Based on a one-dimensional Smoluchowski equation we have developed the theory of concentration nonlinearity of a suspension of transparent microspheres under the action of a gradient force in an interference laser field. The numerical solution of a system of recurrence equations resulting from the Smoluchowski equation after expansion of the microsphere concentration N(z,t) in the harmonic series has allowed us to determine the dependence of the concentration nonlinearity settling time on the intensity of the incident radiation. In the diffusion limit, we have derived the expression for the optical Kerr coefficient, which is found to be 8.5×10{sup −10} cm{sup 2} W{sup −1} for an aqueous suspension of latex microspheres with a radius of 1.17μm and a concentration of 6.5×10{sup 10} cm{sup −3}. Diffraction of a probe wave on a light-induced concentration grating is considered as a method for studying a nonlinear concentration response of an artificial highly efficient nonlinear medium for laser radiation of long pulse duration. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗