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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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117 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impact of dopant-induced band tails on optical spectra, charge carrier transport, and dynamics in single-crystal CdTe

Abstract Cadmium telluride (CdTe) semiconductors are used in thin-film photovoltaics, detectors, and other optoelectronic applications. For all technologies, higher efficiency and sensitivity are achieved with reduced charge carrier recombination. In this study, we use state-of-the-art CdTe single crystals and electro-optical measurements to develop a detailed understanding of recombination rate dependence on excitation and temperature in CdTe. We study recombination and carrier dynamics in high-resistivity (undoped) and arsenic (As)-doped CdTe by employing absorption, the Hall effect, time-resolved photoluminescence, and pump-probe in the 80–600 K temperature range. We report extraordinarily long lifetimes (30 µs) at low temperatures in bulk undoped CdTe. Temperature dependencies of carrier density and mobility reveal ionization of the main acceptors and donors as well as dominant scattering by ionized impurities. We also distinguish different recombination defects. In particular, shallow As Te and deep V Cd −As Cd acceptors were responsible for p-type conductivity. AX donors were responsible for electron capture, while nonradiative recombination centers (V Cd −As Te , As 2 precipitates), and native defects (V Cd −Te Cd ) were found to be dominant in p-type and n-type CdTe, respectively. Bimolecular and surface recombination rate temperature dependencies were also revealed, with bimolecular coefficient T −3/2 temperature dependence and 170 meV effective surface barrier, leading to an increase in surface recombination velocity at high temperatures and excitations. The results of this study allowed us to conclude that enhanced crucible rotation growth of As-doped CdTe is advantageous to As activation, leading to longer lifetimes and larger mobilities and open-circuit voltages due to lower absorption and trapping.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Simulations of a hypersonic turbulent boundary layer over wavy surfaces

Here, we conduct large-eddy simulations of a Mach 5.84 cold wall turbulent boundary layer over one-dimensional wavy walls with varying amplitudes and wavelengths. Across all wall topologies, a series of alternating shock and expansion waves is shown to influence the entire boundary layer, and generate repeating wave patterns in the turbulent stresses, dispersive stresses, and turbulent kinetic energy budget. The series of alternating shocks and expansions imposes repeating adverse and favourable pressure gradients across the wavy wall, and at sufficient wall amplitude, triggers flow separation in the trough of the wave. Flow separation is demonstrated to influence the behaviour of wall pressure fluctuations over the wavy wall. In attached flows, the prominent frequencies are consistent with integral-scale boundary layer turbulence, whereas in separated flows, a two-decade frequency range is present, akin to two-dimensional shock–boundary layer interactions. Counter-rotating streamwise-oriented structures are observed on the windward side of the wave, which diminish over the wave crest. A conditional analysis demonstrates that these structures are present in the upstream boundary layer, and are amplified with increasing wall amplitude. An examination of the Görtler number and probability density function (PDF) of the fluctuating lateral wall shear stress demonstrates the strong correlation between a large Görtler number and growth of the PDF tail density, suggesting that the amplification of the counter-rotating streamwise-oriented structures are linked to centrifugal instabilities in regions of streamline concavity.

boundary layers↗
DOE OSTI2021

THERMAL ANALYSIS OF THE RHIC ARC DIPOLE MAGNET COLD MASS WITH THE EIC BEAM SCREEN

The EIC will make use of the existing RHIC storage rings with their superconducting (SC) magnet arcs. A stain-less-steel beam screen with co-laminated copper and a thin amorphous carbon (aC) film on the inner surface will be installed in the beam pipe of the SC magnets. The copper will reduce the beam-induced resistive-wall (RW) heating from operation with the higher intensity EIC beams, that if not addressed would make the magnets quench. Limiting the RW heating is also important to achieve an adequately low vacuum level. The aC coating will reduce secondary electron yield which could also cause heating and limit in-tensity. Among all the RHIC SC magnets, the arc dipoles present the biggest challenge to the design and installation of beam screens. The arc dipoles, which make up for 78% (2.5 km) length of all SC magnets in RHIC, expect the larg-est RW heating due to their smallest aperture. These mag-nets are also the longest (9.45 m each), thus experiencing the largest temperature rise over their length, and have a large sagitta (48.5 mm) that increases the difficulty to in-stall the beam screen in place. This paper presents a de-tailed thermal analysis of the magnet-screen system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

The 2022 High-energy Outburst and Radio Disappearing Act of the Magnetar 1E 1547.0–5408

We report the radio and high-energy properties of a new outburst from the radio-loud magnetar 1E 1547.0–5408. Following the detection of a short burst from the source with Swift-BAT on 2022 April 7, observations by NICER detected an increased flux peaking at (6.0 ± 0.4) × 10 –11 erg s –1 cm –2 in the soft X-ray band, falling to a baseline level of 1.7 × 10 –11 erg s –1 cm –2 over a 17 day period. Joint spectroscopic measurements by NICER and NuSTAR indicated no change in the hard nonthermal tail despite the prominent increase in soft X-rays. Observations at radio wavelengths with Murriyang, the 64 m Parkes radio telescope, revealed that the persistent radio emission from the magnetar disappeared at least 22 days prior to the initial Swift-BAT detection and was redetected two weeks later. Such behavior is unprecedented in a radio-loud magnetar, and may point to an unnoticed slow rise in the high-energy activity prior to the detected short bursts. Finally, our combined radio and X-ray timing revealed the outburst coincided with a spin-up glitch, where the spin frequency and spin-down rate increased by 0.2 ± 0.1 μHz and (–2.4 ± 0.1) × 10 –12 s –2 , respectively. A linear increase in the spin-down rate of (–2.0 ± 0.1) × 10 –19 s –3 was also observed over 147 days of postoutburst timing. Our results suggest that the outburst may have been associated with a reconfiguration of the quasi-polar field lines, likely signaling a changing twist, accompanied by spatially broader heating of the surface and a brief quenching of the radio signal, yet without any measurable impact on the hard X-ray properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Targeted Rare Earth Element Extraction from Mine Drainage Treatment Solids Informed by Advanced Characterization

In support of a clean energy transition in the U.S., National Energy Technology Laboratory (NETL) has collaborated with staff at Hedin Environmental and students at the University of Pittsburgh to characterize critical mineral content and recovery potential from acid mine drainage treatment solids (AMD solids). AMD solids in Appalachia are an unconventional feedstock of rare earth elements (REEs), with potential of suppling 1,102 tons REE/year. To inform recovery efforts, select AMD solids were examined using synchrotron microprobe analysis in conjunction with USGS-developed geochemical modeling to indicate likely phases hosting critical minerals (REE, Co, Ni, etc.) and associated metals . More than 100 AMD solids were collected from 94 passive AMD treatment systems in Pennsylvania, where limestone aggregates are used for acidity neutralization. As pH increases, dissolved metals and critical minerals in AMD are attenuated as surface coatings on limestone. The collected AMD solids contained up to 2000 mg/kg REE, up to 13,000 mg/kg transition metals (Co, Ni, Zn) and up to 440 mg/kg Li. Regardless of the diverse chemical compositions from AMD solids (Al-rich, Mn-rich, or Al,Fe,Mn-rich), REEs were mostly associated with Al and Mn (hydr)oxides, while select heavy REEs (e.g., Gd, Dy) were co-localized with Fe (hydr)oxides. Co and Ni have different distribution zones, while both co-localized with Mn (hydr)oxides. Based on this characterization, NETL developed a patent-pending innovative step-leaching protocol, “Targeted Rare Earth Extraction (TREE)” to effectively recover up to 90% REE and 60% Co in separate steps. In addition, select post-TREE solid residuals (purified Al oxides, or Mn oxides) can be further developed into functional materials (e.g., lithium and CO2 sorbents) needed for green energy transition and carbon management. This characterization-informed approach as well as TREE processing from AMD solids can be used for other legacy wastes (e.g., coal ash, oil and gas drill cutting, mine tailings), and offers an opportunity to transform waste streams into environmental and economic assets that meet U.S. Department of Energy and U.S. Environmental Protection Agency goals.

characterization and extraction of rare earth elem↗
DOE OSTI2021

Contributions of biofilm-induced flow heterogeneities to solute retention and anomalous transport features in porous media

We report that microbial biofilms are ubiquitous within porous media and the dynamics of their growth influence surface and subsurface flow patterns which impacts the physical properties of porous media and large-scale transport of solutes. Here, a two-dimensional pore-scale numerical model was used to evaluate the impact of biofilm-induced flow heterogeneities on conservative transport. Our study integrates experimental biofilm images of Paenibacillus 300A strain in a microfluidic device packed with cylindrical grains in a hexagonal distribution, with mathematical modeling. Biofilm is represented as a synthetic porous structure with locally varying physical properties that honors the impact of biofilm on the porous medium. We find that biofilm plays a major role in shaping the observed conservative transport dynamics by enhancing anomalous characteristics. More specifically, when biofilm is present, the pore structure in our geometry becomes more spatially correlated. We observe intermittent behavior in the Lagrangian velocities that switches between fast transport periods and long trapping events. Our results suggest that intermittency enhances solute spreading in breakthrough curves which exhibit extreme anomalous slope at intermediate times and very marked late solute arrival due to solute retention. The efficiency of solute retention by the biofilm is controlled by a transport regime which can extend the tailing in the concentration breakthrough curves. These results indicate that solute retention by the biofilm exerts a strong control on conservative solute transport at pore-scale, a role that to date has not received enough attention.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Study of Ion Generation by a ps-laser for External Injection into Electron Beam Ion Source

We investigated ion generation from Al, Ti, Cu, Nb and Ta target elements by a picosecond-laser in the range of 10 11 – 10 13 W/cm 2 power densities at the target surface. A ps-laser with 1.27 mJ maximum energy within a 8 ps pulse and repetition rate up to 400 Hz has been used to generate a laser-ablated plasma. Dependencies of ion current vs time, total charge of registered ions as well as ion kinetic energy distributions are characterized using a Faraday cup. Significant difference in ion current dynamics between first, second and following shots onto the same target spot was found for all five target elements. The total charge of ions registered by the Faraday cup increase linearly with increasing laser pulse energy and are almost independent on the target element and number of shots onto the same target spot for all five target elements studied. Target craters have been examined using a commercially available microscope (Nikon Eclipse LV150) and crater cross section areas were found to be in the range of 0.0076 – 0.0172 mm 2 within the first five shots onto the same target spot for different target elements. A linear dependence of crater cross section square on laser pulse energy has been observed for the Ta target. Ion energy distributions for all target elements have a plateau or a slight peak in the energy range of 10 - 100 eV and long low-intensity energy tail up to tens of keV.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Avoiding pitfalls in molecular simulation of vapor sorption: Example of propane and isobutane in metal–organic frameworks for adsorption cooling applications

This study introduces recommendations for conducting molecular simulations of vapor adsorption, with an emphasis on enhancing the accuracy, reproducibility, and comparability of results. The first aspect we address is consistency in the implementation of some details of typical molecular models, including tail corrections and cutoff distances, due to their significant influence on generated data. We highlight the importance of explicitly calculating the saturation pressures at relevant temperatures using methods such as Gibbs ensemble Monte Carlo simulations and illustrate some pitfalls in extrapolating saturation pressures using this method. For grand canonical Monte Carlo (GCMC) simulations, the input fugacity is usually calculated using an equation of state, which often requires the critical parameters of the fluid. We show the importance of using critical parameters derived from the simulation with the same model to ensure internal consistency between the simulated explicit adsorbate phase and the implicit bulk phase in GCMC. We show the advantages of presenting isotherms on a relative pressure scale to facilitate easier comparison among models and with experiment. Extending these guidelines to a practical case study, we evaluate the performance of various isoreticular metal–organic frameworks (MOFs) in adsorption cooling applications. This includes examining the advantages of using propane and isobutane as working fluids and identifying MOFs with a superior performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

River Dynamics Control Transit Time Distributions and Biogeochemical Reactions in a Dam-Regulated River Corridor

Residence Time Distributions (RTDs) exert an important control on biogeochemical translation in the hydrological systems. Previous tracer studies have revealed that RTDs often followed time-invariant exponential, lognormal, or heavy-tailed RTDs that have power-law behavior for long tails in headwater or low-order streams. However, there is a recognition that RTDs can be more complicated and time-variable in response to dynamic hydrological forcing. Here, we use particle tracking to estimate RTDs along the Hanford Reach of the Columbia River and to quantify the influences of river stage fluctuations. Particle tracking is conducted using the velocity field from high-resolution 3D groundwater flow simulations. The effects of hydrological forcing on the residence time distribution were evaluated by varying river flow boundary conditions and releasing particles in different time windows. Our results revealed that dynamic stage fluctuations created rapidly changing losing-gaining conditions in the river and led to highly transient RTDs, which contributes to multiple modes of RTDs. Dam-induced high-frequency (sub-daily) flow variation contributes to the short-time (sub-daily) component of the RTDs. Deviation of the reactant consumption under the single-mode assumption compared to the multimodal RTDs is relatively small (~5%) and appears when the Damköhler number was close to one.More specifically, high-frequency (daily) dam-induced stage variations have higher impacts on biogeochemical reactions with faster reaction rate, and can potentially increase the reactant consumption by 26.68%. Based on these findings, we suggest that current river basin models could be improved by including bank storage and more complex RTDs influenced by both short and long term river stage fluctuations.

54 ENVIRONMENTAL SCIENCES↗