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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Optimal carrier concentration for FeSb 2 colossal thermopower

Crystals of FeSb 2 correlated narrow-gap semiconductor host colossal thermopower values. By tuning the impurity level here, we demonstrate that electron-phonon scattering that transfers phonon momentum to electrons is efficient only for certain optimal carrier concentration in the low-mobility band. Phonon drag acting on such states in crystals with high phonon mean free path enhances thermopower to colossal values, whereas for different carrier concentration, dominant thermal transport mechanism is electronic diffusion. This highlights the dual nature of correlated in-gap states that take part in the phonon drag but also reduce phonon mean free path.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nanoscale imaging of He-ion irradiation effects on amorphous TaO x toward electroforming-free neuromorphic functions

Resistive switching in thin films has been widely studied in a broad range of materials. Yet, the mechanisms behind electroresistive switching have been persistently difficult to decipher and control, in part due to their non-equilibrium nature. Here, we demonstrate new experimental approaches that can probe resistive switching phenomena, utilizing amorphous TaO x as a model material system. Specifically, we applied scanning microwave impedance microscopy and cathodoluminescence (CL) microscopy as direct probes of conductance and electronic structure, respectively. These methods provide direct evidence of the electronic state of TaO x despite its amorphous nature. For example, CL identifies characteristic impurity levels in TaO x , in agreement with first principles calculations. We applied these methods to investigate He-ion-beam irradiation as a path to activate conductivity of materials and enable electroforming-free control over resistive switching. However, we find that even though He-ions begin to modify the nature of bonds even at the lowest doses, the films' conductive properties exhibit remarkable stability with large displacement damage and they are driven to metallic states only at the limit of structural decomposition. Finally, we show that electroforming in a nanoscale junction can be carried out with a dissipated power of <20 nW, a much smaller value compared to earlier studies and one that minimizes irreversible structural modifications of the films. Importantly, the multimodal approach described here provides a new framework toward the theory/experiment guided design and optimization of electroresistive materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Direct measurement of microwave loss in Nb films for superconducting qubits

Niobium films are a key component in modern two-dimensional superconducting qubits, yet their contribution to the total qubit decay rate is not fully understood. The presence of different layers of materials and interfaces makes it difficult to identify the dominant loss channels in present two-dimensional qubit designs. In this paper, we present the study that directly correlates measurements of RF losses in such films to material parameters by investigating a high-power impulse magnetron sputtered (HiPIMS) film atop a three-dimensional niobium superconducting radio frequency (SRF) resonator. By using a 3D SRF structure, we are able to isolate the niobium film loss from other contributions. Our findings indicate that microwave dissipation in the HiPIMS-prepared niobium films, within the quantum regime, resembles that of record-high intrinsic quality factor of bulk niobium SRF cavities, with lifetimes extending into seconds. Microstructure and impurity level of the niobium film do not significantly affect the losses. These results set the scale of microwave losses in niobium films and show that niobium losses do not dominate the observed coherence times in present two-dimensional superconducting qubit designs, instead highlighting the dominant role of the dielectric oxide in limiting the performance. We can also set a bound for when niobium film losses will become a limitation for qubit lifetimes.

Abdisatarov, B.↗
DOE OSTI2023

Low-energy solar neutrino detection utilizing advanced germanium detectors

We explore the possibility to use advanced germanium (Ge) detectors as a low-energy solar neutrino observatory by means of neutrino-nucleus elastic scattering. A Ge detector utilizing internal charge amplification for the charge carriers created by the ionization of impurities is a novel technology with experimental sensitivity for detecting low-energy solar neutrinos. Ge internal charge amplification (GeICA) detectors will amplify the charge carriers induced by neutrino interacting with Ge atoms through the emission of phonons. It is those phonons that will create charge carriers through the ionization of impurities to achieve an extremely low energy threshold of ~0.01 eV. We demonstrate the phonon absorption, excitation, and ionization probability of impurities in a Ge detector with impurity levels of 3 × 10 10 cm -3 , 9 × 10 10 cm -3 , and 2 × 10 11 cm -3 . We present the sensitivity of such a Ge experiment for detecting solar neutrinos in the low-energy region. We show that, if GeICA technology becomes available, then a new opportunity arises to observe pp and 7 Be solar neutrinos. Such a novel detector with only 1 kg of high-purity Ge will give ~10 events per year for pp neutrinos and ~5 events per year for 7 Be neutrinos with a detection energy threshold of 0.01 eV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Electron Bernstein wave conversion of high-field side injected X-modes in QUEST

This paper presents a detailed design of the Q-shu University experimental steady state spherical tokamak's (QUEST's) high-field side (HFS) injection system for electron Bernstein wave (EBW) excitation and the results of an experimental comparison of the HFS eXtraordinary X-mode and low-field side (LFS) ordinary O-mode injection of 8.2 GHz radio frequency (RF) power. Waveguides, as an alternative to mirror polarizers for transmitting RF X-mode power from LFS to HFS for EBW conversion, were used instead of the installation of an RF mirror. Testing of LFS-to-HFS RF power transmission at 8.2 GHz, using an RG-50-type vacuum waveguide in a bench-scale device filled with SF6 gas at 0.03 Mpa, revealed that an RF power of 10.8 kW could traverse the fundamental electron cyclotron resonance layer for 60 s without breakdown. The short-length, open-ended waveguide antenna used in the HFS injection-induced wave diffraction reduced the efficiency of power delivery to the upper hybrid resonance (UHR) by approximately 7% at an electron temperature of 50 eV. The HFS injection was able to produce brighter camera images than the standard LFS injection. The location of the UHR, as estimated by measuring the density with an interferometer, agreed with its location as measured by plasma radiation low-field, side-edge positions shown by fast camera imaging. This indicates that the plasma was produced by mode-converted EBW. The HFS injection had an absorption efficiency of 96%, compared to 40% for LFS. A greater fluctuation of floating potential adjustable to the lower hybrid wave (LHW) was observed in the HFS case by installing a Langmuir probe, confirming that EBW conversion efficiency was higher in the HFS case. Moreover, after setting the poloidal field to B PF = 7.6 mT, plasma current (I P ) in the HFS peaked at 1.3 kA, as opposed to 0.3 kA for LFS, despite LFS injection having a total power of 55 kW, compared to 40 kW for HFS. However, as the impurity level was comparatively high, it is believed that this I P is dominated by pressure-drive, which makes it difficult to analyze EBWCD. Finally, the line-integrated density in the HFS injection peaked at 1.6 × 10 18 m -2 , compared to 8 × 10 17 m -2 in the LFS one.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

H - Ion Source RF Plasma Testing with 13 MHz and 27 MHz at the Spallation Neutron Source (SNS)

The baseline RF-driven H⁻ ion source configuration at the Spallation Neutron Source (SNS) facility uses a continuous wave (CW) 600 W 13 MHz RF system to ignite and maintain a low-density plasma inside the ion source vacuum chamber. After the continuous low-density 13 MHz plasma has been established, a pulsed (typical 1 ms pulse width and 60 Hz pulse repetition rate) 80 kW 2 MHz RF system is used to increase the plasma density to produce the pulsed H⁻ ion beam. Incremental upgrades and improvements to the SNS ion source systems have resulted in the ability to reliably operate an H⁻ ion source for SNS neutron production run cycles that can last up to four months. Conditions inside the SNS H⁻ ion source evolve throughout a four-month run cycle due to changes in impurity levels, sputtering, and erosion. As the internal ion source conditions change during the run cycle, there can also be changes in plasma stability and the 13 MHz RF power level required to ignite the plasma. This paper presents the preliminary results of testing performed on the SNS Ion Source Test Stand (ISTS) system where we looked at plasma ignition and plasma stability using 27 MHz RF in place of the baseline 13 MHz RF system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Measurement of electronic structure and surface reconstruction in the superionic Cu 2-x Te

Recently, layered copper chalcogenides Cu 2 X family (X=S, Se, Te) has attracted tremendous research interests due to their high thermoelectric performance, which is partly due to the superionic behavior of mobile Cu ions, making these compounds "phonon liquids."Here, we systematically investigate the electronic structure and its temperature evolution of the less studied single crystal Cu 2-x Te by the combination of angle resolved photoemission spectroscopy (ARPES) and scanning tunneling microscope/spectroscopy (STM/STS) experiments. While the band structure of the Cu 2-x Te shows agreement with the calculations, we clearly observe a 2×2 surface reconstruction from both our low temperature ARPES and STM/STS experiments which survives up to room temperature. Interestingly, our low temperature STM experiments further reveal multiple types of reconstruction patterns, which suggests the origin of the surface reconstruction being the distributed deficiency of liquidlike Cu ions. Our findings reveal the electronic structure and impurity level of Cu 2 Te, which provides knowledge about its thermoelectric properties from the electronic degree of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Er Al :Al 2 ⁢O 3 for telecom-band photonics: Electronic structure and optical properties

Er-doped Al 2 ⁢O 3 is a promising host for telecom-band integrated photonics. Here, in this study, we combine ab initio calculations with a symmetry-resolved analysis to elucidate substitutional Er on the Al site (Er Al ) in 𝛼−Al 2 ⁢O 3 . First-principles relaxations confirm the structural stability of Er Al . We then use the local trigonal crystal-field symmetry to classify the Er-derived impurity levels by irreducible representations and to derive polarization-resolved electric-dipole selection rules, explicitly identifying the symmetry-allowed 𝑓−𝑑 hybridization channels. Kubo-Greenwood absorption spectra computed from Kohn-Sham states quantitatively corroborate these symmetry predictions. Furthermore, we connect the calculated intra-4⁢𝑓 line strengths to Judd-Ofelt theory, clarifying the role of 4⁢𝑓−5⁢𝑑 admixture in enabling optical activity. Notably, we predict a characteristic absorption near 1.47 µ⁢m (telecom band), relevant for on-chip amplification and emission. To our knowledge, a symmetry-resolved first-principles treatment of Er:Al 2 ⁢O 3 with an explicit Judd-Ofelt interpretation has not been reported, providing a transferable framework for tailoring rare-earth dopants in wide-band-gap oxides for integrated photonics. Our results for the optical spectra are in good agreement with experimental data. The resulting symmetry-based selection rules translate directly to polarization-dependent coupling in Al 2 ⁢O 3 integrated photonic waveguides and resonators, enabling device-level design of TE/TM-mode interaction with Er emitters in the 1.5-µ⁢m telecom band.

Er-doped Al2O3↗
DOE OSTI2026

Analysis of vapor diffusion Nb$^{3}$Sn coating at Fermilab: Minimizing impurities using TOF-SIMS

Nb₃Sn demonstrates steady advancements nowadays offering reduced power cost in superconducting radio-frequency cavities due to its high critical temperature, quality factor, and achieved accelerating gradient. However, theoretical estimates of its radio-frequency parameters have not been achieved due to several potentially limiting mechanisms: tin spots, patchy regions, defects, thermal impedance, and impurities. While some of these limitations have been intensively studied, impurity analysis in Nb$_3$Sn coatings have received less attention. We report an investigation of impurities in several vapor-diffused Nb₃Sn coated samples using time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and show allowable impurity levels in view of superconducting cavity performance. Challenges and lessons learned in maintaining clean Nb$_3$Sn coatings are also discussed.

Tagdulang, Nikki [Fermilab]↗
DOE OSTI2022

Characterization of Nb films with varying RRR values at low temperatures [Poster]

Superconducting properties of Nb in microwave fields vary significantly with lattice defects and impurity content, where sub-at.% impurity level can reduce or increase microwave surface resistance by an order of magnitude. In this study, we studied the microwave properties of Nb films, deposited by different PVD techniques, at low microwave fields correlating microwave properties at dilution fridge temperatures with material properties characterized with surface science techniques. We are studying the microwave properties of Nb films, deposited by different PVD techniques, at low microwave fields and low temperatures. The first Nb film, deposited onto an elliptical niobium cavity by HiPIMS technique at CERN, was tested at low temperatures. The first results show that film performance was similar to that of the bulk niobium cavities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Casting and Characterization of U-50Zr

Uranium alloyed with 50 wt% zirconium (U-50Zr) is a proposed light water reactor (LWR) nuclear fuel by Lightbridge Corporation (LTBR). The proposed method for making the U-50Zr alloy is to arc-melt master alloys and then remelt in a vacuum induction melter (VIM) to consolidate the material and cast into an intermediate shape. After casting, the material will eventually need to be formed into a desired fuel shape. The work discussed in this report resulted from a joint effort between Ltbr and Pacific Northwest National Laboratory (PNN) to investigate a 500g – 1kg scale casting process to produce the U-50Zr alloy in the desired δ-UZr 2 phase and characterize the impurities and microstructure that result from the casting process. Master alloys were fabricated in an arc melter, then five castings were carried out in a VIM with multiple inert coating and crucible materials to find an appropriate combination. Both ZrO 2 and graphite crucibles were used and different combinations of Y 2 O 3 , CaZrO 3 , and TiC to identify which would contain the molten metal with the least reaction. On each casting, the C, O, N, H impurities were analyzed as well as the phase by x-ray diffraction and microstructure. Of the five castings, two resulted in majority of δ-UZr 2 phase-pure material and had impurity levels within acceptable ranges. The two most successful castings utilized a graphite crucible with a TiC undercoating and a Y 2 O 3 overcoat. The O and N levels were below 1000 ppm and the C content was variable but did not result in measurable carbide formation. The highest success casting resulted in an average of 282 ppm C, 567 ppm O, 217 ppm N and 79 ppm H. This casting's crucible and inert coating material was repeated with slightly different casting parameters and resulted in higher C numbers but similar phase identification. The differences between each casting are discussed and recommendations are made for future experiments to better decide on a casting process to go forward with.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Integration and commissioning plan of Full Flow Purifier at Muon Campus

The Full Flow Purifier for Fermilab’s Muon Campus uses a charcoal bed surrounded by a liquid nitrogen jacket to purify up to 240 g/s of helium gas. Fabrication by Ability Engineering Technology Inc. has been completed and the purifier delivered to Fermilab. It is the largest purifier to be used at Fermilab based on both capacity and size. A previous paper discussed the design of purifier for various operational conditions and horizontal shipping. The purifier is designed to withstand 5g force in vertical and 2g force in lateral and longitudinal directions. Transportation experience from vendor to Fermilab and within site is discussed. Integration of the purifier involved design and fabrication of a liquid nitrogen transfer line, regeneration system, and helium piping to connect it to Muon Campus cryogenic system. It also involved establishing electrical, instrumentation and controls connections to the system. Integration of the purifier is discussed in detail. The purifier is to be commissioned using up to 4 MYCOM helium compressors to supply helium and liquid nitrogen supplied by a 15,000 -gallon tank. Actual effectiveness of the 3-stream heat exchanger is to be estimated based on measured temperatures and flow rate. Impurity levels shall be monitored at inlet and outlet of the purifier. Theoretical adsorption capacity of the purifier is calculated based on the measured temperatures and flowrates and is compared to actual adsorption capacity over time.

Subedi, Jeewan [Fermilab]↗
DOE OSTI2025

Challenges of Vapor Diffusion $Nb_3Sn$ Coating at Fermilab: Minimizing Impurities Using TOF-SIMS

Nb$_3$Sn demonstrates steady advancements nowadays offering reduced power cost in superconducting radio-frequency cavities due to its high critical temperature, quality factor, and achieved accelerating gradient. However, theoretical estimates of its radio-frequency parameters have not been achieved due to several potentially limiting mechanisms: tin spots, patchy regions, defects, thermal impedance, and impurities. While some of these limitations have been intensively studied, impurity analysis in Nb$_3$Sn coatings have received less attention. We report an investigation of impurities in several vapor-diffused Nb$_3$Snn coated samples using time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and show allowable impurity levels in view of superconducting cavity performance. Challenges and lessons learned in maintaining clean Nb$_3$Sn coatings are also discussed.

Tagdulang, N. [Fermilab]↗
DOE OSTI2025

Integration and commissioning plan of Full Flow Purifier at Muon Campus

The Full Flow Purifier for Fermilab's Muon Campus uses a charcoal bed surrounded by a liquid nitrogen jacket to purify up to 240 g/s of helium gas. Fabrication by Ability Engineering Technology Inc. has been completed and the purifier delivered to Fermilab. It is the largest purifier to be used at Fermilab based on both capacity and size. A previous paper discussed the design of purifier for various operational conditions and horizontal shipping. The purifier is designed to withstand 5g force in vertical and 2g force in lateral and longitudinal directions. Transportation experience from vendor to Fermilab and within site is discussed. Integration of the purifier involved design and fabrication of a liquid nitrogen transfer line, regeneration system, and helium piping to connect it to Muon Campus cryogenic system. It also involved establishing electrical, instrumentation and controls connections to the system. Integration of the purifier is discussed in detail. The purifier is to be commissioned using up to 4 MYCOM helium compressors to supply helium and liquid nitrogen supplied by a 60,000-liter tank. Actual effectiveness of the 3-stream heat exchanger is to be estimated based on measured temperatures and flow rate. Impurity levels will be monitored at inlet and outlet of the purifier. Theoretical adsorption capacity of the purifier is calculated based on the measured temperatures and flowrates and is compared to actual adsorption capacity over time.

Subedi, J. [Fermilab] (ORCID:0009000185837576)↗
DOE OSTI2022

First Principles Determination of the Potential-of-Zero-Charge in an Alumina-Coated Aluminum/Water Interface Model for Corrosion Applications

The surfaces of most metals immersed in aqueous electrolytes have a several-nanometer-thick oxide/hydroxide surface layer. This gives rise to the existence of both metal|oxide and oxide|liquid electrotlyte interfaces, and makes it challenging to correlate atomic length-scale structures with electrochemical properties such the potential-of-zero-charge (PZC). The PZC has been shown to be correlated the onset potential for pitting corrosion. Here, we conduct large-scale Density Functional Theory and ab initio molecular dynamics to calculate the PZC of a Al(111)| γ -Al 2 O 3 (110)| water double-interface model within the context of aluminum corrosion. By partitioning the multiple interfaces involved into binary components with additive contributions to the overall work function and voltage, we predict the PZC to be -1.53 V vs SHE for this model. Furthermore, we calculate the orbital energy levels of defects like oxygen vacancies in the oxide, which are critical parameters in theories associated with pitting corrosion. We predict that the Fermi level at the PZC lies above the impurity defect levels of the oxygen vacancies, which are therefore uncharged at the PZC. From the PZC estimate, we predict the voltage needed to create oxygen vacancies with net positive charges within a flatband approximation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Machine learning defect properties in Cd-based chalcogenides

Impurity energy levels in the band gap can have serious consequences for a semiconductor's performance as a photovoltaic absorber. Data-driven approaches can help accelerate the prediction of point defect properties in common semiconductors, and thus lead to the identification of potential deep lying impurity states. In this work, we use density functional theory (DFT) to compute defect formation energies and charge transition levels of hundreds of impurities in CdX chalcogenide compounds, where X = Te, Se or S. We apply machine learning techniques on the DFT data and develop on-demand predictive models for the formation energy and relevant transition levels of any impurity atom in any site. The trained ML models are general and accurate enough to predict the properties of any possible point defects in any Cd-based chalcogenide, as we prove by testing on a few selected defects in mixed chalcogen compounds CdTe 0.5 Se 0.5 and CdSe 0.5 S 0.5 . The ML framework used in this work can be extended to any class of semiconductors.

density functional theory↗
DOE OSTI2025

The impact of argon addition on hydrogen superpermeation through palladium alloy metal foil pumps during direct internal recycling

Metal foil pumps (MFPs) are a leading technology for the direct internal recycling (DIR) of hydrogen isotopes from the plasma exhaust of fusion devices. MFPs rely on the concept of superpermeation, where plasma-generated atomic hydrogen absorbs into the metal foil, rapidly diffuses, and desorbs downstream. To date, studies of superpermeation have predominantly employed pure hydrogen or in some cases trace levels of impurities. In practice the plasma exhaust may contain significant levels of plasma enhancement gases such as argon, an inert gas with metastable states that can enhance the plasma. In this work, we systematically study the impact of Ar addition on the performance of PdCu and PdAg MFPs at low temperature. Performance was strongly dependent on the DIR fraction. At negligible DIR levels Ar addition did not significantly improve the flux over dilution effects. However, under appreciable DIR operation the flux was enhanced up to 90 % relative to pure H 2 , with the optimal concentration range being 5–10 % Ar exiting the system. Beyond 15 % addition plasma enhancement benefits were offset by dilution. Performance correlated with the atomic H emission, and benefits were more pronounced for PdAg than PdCu. Operation at significant DIR levels dramatically alters the flow dynamics resulting in concentration gradients near the MFP, creating plasma conditions that promote H 2 dissociation.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effect of impurities on phase transformation and precipitation in a low-carbon steel

Impurity elements have been added to a commercial low carbon steel grade to simulate the levels that could arise as a result of increased scrap recycling during steel production. In this study, continuous cooling transformation (CCT) diagrams were constructed for the steels with varying levels of impurities, and it is shown that impurities suppress the phase transformation across a wide range of cooling rates. It was found that a step was formed in the start temperature curve, separating the reconstructive and displacive transformations. The influence of impurities on both the reconstructive transformation and displacive transformation are discussed. Additionally, Cu precipitates were observed using scanning transmission electron microscopy (STEM) in the highest impurity-containing steel after slow cooling (0.05°C/s), fast cooling (5°C/s) and interrupted cooling. It was found that the precipitation kinetics is in the following order: cementite within the secondary phase and cementite at secondary phase-ferrite interface> ferrite grain boundaries> ferrite grain matrix. Atom-probe tomography (APT) revealed Cu precipitates formed on the surface of cementite lamellae, but not within it. This work offers insights for the phase transformation control and precipitation regulation during the thermomechanical processing of low carbon steels containing impurity elements due to scrap recycling.

36 MATERIALS SCIENCE↗