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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Impurity-Induced Anomalous Thermal Hall Effect in Chiral Superconductors

Chiral superconductors exhibit novel transport properties that rely on the topology of the order parameter, topology of the Fermi surface, the spectrum of bulk and edge Fermionic excitations, and the structure of the impurity potential. In the case of electronic heat transport, impurities induce an anomalous (zero-field) thermal Hall conductivity that is easily orders of magnitude larger than the quantized edge contribution. The effect originates from branch-conversion scattering of Bogoliubov quasiparticles by the chiral order parameter, induced by potential scattering. The former transfers angular momentum between the condensate and the excitations that transport heat. The anomalous thermal Hall conductivity is shown to depend to the structure of the electron-impurity potential, as well as the winding number ν of the chiral order parameter $Δ(p)=|Δ(p)|e^{iν\phi_p}$. The results provide quantitative formulas for interpreting heat transport experiments seeking to identify broken T and P symmetries, as well as the topology of the order parameter for chiral superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Real-Time Detection of Hydrogen and Ammonia Isotopologues for Impurity Removal and Recovery of Tritium

To accommodate gas measurements for impurity removal and recovery of tritium, a silver-coated optical or waveguide is employed for collecting Raman scattered signals to determine relative hydrogen and ammonia isotopologue populations in real time. The data and results presented here demonstrate an analytical methodology for the analysis of four ammonia and three hydrogen isotopologues in a hydrogen–deuterium exchange reaction by gas phase Raman spectroscopy. Standard chemometric modeling techniques effectively unravel the signatures of the isotopologues involved observed here; however, a sophisticated quantum chemical approach supports the spectral assignments. An interpretation of the data presented here can emphasize the practicality and reliability of the gaseous monitoring system in complex chemical environments for the hydrogen fuel economy as well as the more distant energy source from a facility that handles tritium. There are still considerable concerns about the measurement of tritium in isotope separation and radiological impurities from gas processing. A common impurity in gas processing is ammonia, which can form readily in the presence of nitrogen and tritium. Substituted ammonia (NQ 3 ), where Q = H, D, or T, is traditionally removed through getters or diffusers along with other non-hydrogen contaminants. A preferable analytical approach is noninvasive and can be deployed for real-time process evaluation in radiological environments.

Ammonia↗
DOE OSTI2021

Two-Dimensional Superconducting Fluctuations Associated with Charge-Density-Wave Stripes in La 1.87 ⁢Sr 0.13 ⁢Cu 0.99 ⁢Fe 0.01 ⁢O 4

The presence of a small concentration of in-plane Fe dopants in La 1.87 Sr 0.13 Cu 0.99 Fe 0.01 O 4 is known to enhance stripelike spin and charge density wave (SDW and CDW) order and suppress the superconducting T c . Here, we show that it also induces highly two-dimensional superconducting correlations that have been argued to be the signatures of a new form of superconducting order, the so-called pair density wave (PDW) order. In addition, using resonant soft x-ray scattering, we find that the two-dimensional superconducting fluctuation is strongly associated with the CDW stripe. In particular, the PDW signature first appears when the correlation length of the CDW stripe grows over eight times the lattice unit (~8 a). In conclusion, these results provide critical conditions for the formation of the PDW order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin texture induced by non-magnetic doping and spin dynamics in 2D triangular lattice antiferromagnet h -Y(Mn,Al)O 3

Novel effects induced by nonmagnetic impurities in frustrated magnets and quantum spin liquid represent a highly nontrivial and interesting problem. A theoretical proposal of extended modulated spin structures induced by doping of such magnets, distinct from the well-known skyrmions has attracted significant interest. Here, we demonstrate that nonmagnetic impurities can produce such extended spin structures in h-YMnO 3 , a triangular antiferromagnet with noncollinear magnetic order. Using inelastic neutron scattering (INS), we measured the full dynamical structure factor in Al-doped h-YMnO 3 and confirmed the presence of magnon damping with a clear momentum dependence. Our theoretical calculations can reproduce the key features of the INS data, supporting the formation of the proposed spin textures. As such, our study provides the first experimental confirmation of the impurity-induced spin textures. It offers new insights and understanding of the impurity effects in a broad class of noncollinear magnetic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

The Influence of Residual Copper Catalyst on the Polymer-to-Ceramic Conversion of a Click-Derived Polycarbosilane

Preceramic polymers (PCPs) are a key class of materials for the preparation of advanced ceramic components. Following conventional polymer processing and subsequent pyrolysis, polymer-derived ceramic (PDC) fibers, monoliths, and composites offer novel engineering opportunities for aerospace applications. Despite the rapidly emerging commercial applications of PDCs, many basic scientific questions remain regarding the structural transformation of the polymer to the final ceramic and how processing variables affect PDC materials properties. PCPs prepared using a mild and scalable copper (Cu) catalyzed azide/alkyne “click” reaction have been demonstrated as a unique class of material that can bind with transition metals, ultimately producing ultrahigh temperature ceramics (UHTCs) upon pyrolysis. Unexpectedly, it was found that the removal of residual Cu catalyst from a model click-derived polycarbosilane PCP significantly reduced the ceramic yield during pyrolysis. Herein, we report the influence of Cu impurities on polycarbosilane-derived SiC ceramics and present a mechanistic understanding of the unintended role of Cu in the polymer-to-ceramic conversion process. Synchrotron-based scattering and spectroscopy methods were implemented to track the evolution of different atomic species and local structures as well as the influence of Cu toward atomic-scale structures in the final ceramics. It was determined that Cu impurities catalyze the formation of silicon carbide through the formation of an intermediate molten copper/copper silicide, ultimately increasing the ceramic yield. Overall, this contribution highlights the need to carefully assess the interplay between the chemistries needed for PCP synthesis and their potential influence on final PDCs following processing.

Ponder, Jr., James F. [Air Force Research Laborato↗
DOE OSTI2024

Diagnosing up-scattered deuterium–tritium fusion neutrons produced in burning plasmas at the National Ignition Facility (invited)

In the push to higher performance fusion plasmas, two critical quantities to diagnose are α-heat deposition that can improve and impurities mixed into the plasma that can limit performance. In high-density, highly collisional inertial confinement fusion burning plasmas, there is a significant probability that deuterium–tritium (DT) fusion products, 14.1 MeV neutrons and 3.5 MeV α-particles, will collide with and deposit energy onto (“up-scatter”) surrounding deuterium and tritium fuel ions. These up-scattered D and T ions can then undergo fusion while in-flight and produce an up-scattered neutron (15–30 MeV). These reaction-in-flight (RIF) neutrons can then be uniquely identified in the measured neutron energy spectrum. Further, the magnitude, shape, and relative size of this spectral feature can inform models of stopping-power in the DT plasma and hence is directly proportional to α-heat deposition. In addition, the RIF spectrum can be related to mix into the burning fuel, particularly relevant for high-Z shell and other emerging National Ignition Facility platforms. The neutron time-of-flight diagnostic upgrades needed to obtain this small signal, ~10 –5 times the primary DT neutron peak, will be discussed. Results from several gain > 1 implosions will be shown and compared to previous RIF spectra. Finally, comparisons of experimental data to a simplified computational model will be made.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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 OSTI2024

Lattice dynamics of 119 Sn impurity in a bcc-Cr crystal

The chromium crystal doped with 119 Sn isotope was studied using the nuclear resonance inelastic x-ray scattering and first principles calculations. The Sn partial phonon density of states (PDOS) was obtained for three temperatures that correspond to different magnetic states of Cr. At all temperatures, the energy spectrum consists of a broad band around 18 meV and a narrow peak at 43 meV. The additional peak around 39 meV is observed only in the magnetically ordered phases, indicating the influence of magnetic order in chromium on lattice dynamics. The partial PDOS calculated with the antiferromagnetic order on Cr atoms show a very good agreement with the experimental data. It is revealed that the high-energy peak is lying above the phonon spectra of the pure bcc-Cr crystal. These are the local modes with the increased energies due to a strongly reduced distance between Sn and the nearest-neighbor Cr atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The ionic conductivity of Sm‐doped ceria

Abstract The oxygen ion conductivity of polycrystalline samples of Sm‐doped ceria and of Gd‐doped ceria is studied as a function of doping fraction and temperature using impedance spectroscopy allowing the separation of bulk and grain boundary conductivity. The introduction of a fine spacing for the Sm dopant fraction allows the clear identification of the dopant fraction leading to the largest bulk conductivity. At 267°C, the largest bulk conductivity is shown for Ce 0.93 Sm 0.07 O 1.965 . With increasing temperature, indications of an increase in the dopant fraction, which leads to the maximum in conductivity, are found. For the grain boundary conductivity, the maximum appears at larger dopant fractions compared to the bulk conductivity. The largest total conductivity for both dopants is again found for Sm‐doped ceria. In literature, different syntheses and sample preparation methods led to larger total conductivities for Gd‐doped ceria. In this work, we demonstrate that the variation of sintering conditions leads to scattering in the conductivity over one order of magnitude. Finally, we demonstrate that, in nominally pure cerium oxide, impurities dominate the ionic conductivity.

Koettgen, Julius↗
DOE OSTI2024

Toward a Machine Learning Approach to Interpreting X-ray Spectra of Trace Impurities by Converting XANES to EXAFS

The fact that the photoabsorption spectrum of a material contains information about the atomic structure, commonly understood in terms of multiple scattering theory, is the basis of the popular extended X-ray absorption spectroscopy (EXAFS) technique. How much of the same structural information is present in other complementary spectroscopic signals is not obvious. Here we use a machine learning approach to demonstrate that within theoretical models that accurately predict the EXAFS signal, the extended near-edge region does indeed contain the EXAFS-accessible structural information. We do this by exhibiting deep operator neural networks (DeepONets) that have learned the relationship between the extended and near edge portions of the X-ray absorption spectrum to predict the former from the latter. We find that we can accurately predict the EXAFS spectrum between 6 and 14 Å –1 from the first 6 Å –1 (≈100 eV) of the absorption spectrum of Cu 2 + substitutional defects in the Fe 3+ mineral hematite (α-Fe 2 O 3 ). This surprising finding implies that theoretical analyses of X-ray absorption spectra could be implemented that extract the same conclusions as high-quality EXAFS studies from spectra collected over a much smaller range of photon energies. This relaxes a host of experimental limitations related to the X-ray source and measurement sample, including collection time, minimum dopant concentration, source brilliance, and energy range. We describe the theoretical data sets and DeepONet construction and show that the resulting DeepONets produce EXAFS that recovers linear combination fits to experimental data with accuracy approaching the original ab initio calculations. We discuss the implications of our findings for minor constituent characterization and for understanding the information content of spectroscopic data more broadly, including how this approach might be applied to measured experimental spectra. In conclusion, to encourage similar efforts, the simulated X-ray spectra, machine learning, and fitting code are publicly available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Scattering mechanisms in state-of-the-art GaAs/AlGaAs quantum wells

Motivated by recent breakthroughs in molecular beam epitaxy of GaAs/AlGaAs quantum wells, we examine contributions to mobility and quantum mobility from various scattering mechanisms and their dependencies on the electron density. Here we find that at lower electron densities, n e ≲ 1 x 10 11 cm -2 , both transport and quantum mobility are limited by unintentional background impurities and follow a power-law dependence, ∝ n$^{α}_{e}$, with α ≈ 0.85. Our predictions for quantum mobility are in reasonable agreement with an estimate obtained from the resistivity at filling factor ν = 1/2 in a sample of Y. J. Chung et al. with n e = 1 x 10 11 cm -2 . Consideration of other scattering mechanisms indicates that interface roughness (remote donors) is likely a limiting factor of transport (quantum) mobility at higher electron densities. Future measurements of quantum mobility should yield information on the distribution of background impurities in GaAs and AlGaAs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Strain on the Resistivity and Thermal Conductivity of High Purity Niobium

High purity niobium (Nb) is a technologically important material for large-scale accelerator and nano-scale quantum computing applications in microwave frequency range. The high thermal conductivity and low resistivity of Nb are critical to the high performance at temperature range of 0.01–4.0 K. The presence of interstitials such as O, N, H, and C act as scattering centers and alter the mean free path, reducing resistivity and thermal conductivity, and contributing significantly to Nb's thermal performance for temperatures of 2.0 K and above. The residual resistivity ratio (RRR), defined as the ratio of the normal state resistivity at 300 K to that at 4.2 K (Nb, T c = 9.2 K), is an accepted direct estimate of the impurity content of fully recrystallized Nb. Complete re-crystallization of Nb is challenging unless very high temperatures are employed, which is often impractical, hence, in practice, dislocation and dislocation structures impact the thermal performance of Nb due to strong phonon scattering contributions. Furthermore, this paper reports on the degradation of thermal conductivity and RRR of high purity Nb large grain, single crystal with fixed impurity, varying strain, and dislocation content levels. Experimental thermal conductivity data fits the Boltzmann transport equation incorporating dislocation density.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Understanding and Manipulating Helical Nanofilaments in Binary Systems with Achiral Dopants

Here, in this paper, we report the relationship between helical pitch of the helical nanofilament (HNF) phase formed by bent-core molecule NOBOW and the concentration of achiral dopants 5CB and octane, using linearly polarized resonant soft X-ray scattering (RSoXS). Utilizing theory-based simulation, which fits well with the experiments, the molecular helices in the filament were probed and the superstructure of helical 5CB directed by groove of HNFs was observed. Quantitative pitch determination with RSoXS reveals that helical pitch variation is related to 5CB concentration with no temperature dependence. Doping rodlike immiscible 5CB led to a pitch shortening of up to 30%, which was attributed to a change in interfacial tension. By shedding light not only on phase behavior of binary systems but also enabling control over pitch length, our work may benefit various applications of HNF-containing binary systems, including optical rotation devices, circularly polarized light emitters, and chirality transfer agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Configuration and impurity quantification of AmLi sources using radiography and gamma spectroscopy

This paper presents the non-destructive assay of two AmLi sources used for detector characterization and active interrogation at PNNL, identified as MRC-101 and MRC-103. First, a detailed description of the internal configuration of 2724-BT encapsulated MRC sources is established. X-ray radiographs of the AmLi sources are reported for the first time to verify the dimensions and orientation of the encapsulation. Notably, a density variation was observed as a contrast change across the height of the source cavities. Contrary to commonly made assumptions in literature, it is indirectly observed that the AmLi source/target material only occupies a portion of the source cavity. The intensity of the prompt gamma-rays resulting from the inelastic scatter of alpha particles on 7Li was used to calculate the mass ratios of LiH:AmO2. The gamma-ray spectra revealed the presence of numerous impurities in both source and target material (243Am, 237Np, 154Eu, 23Na, and 9Be). Neutron-gamma production ratios were applied to the intensity of the Doppler-broadened peaks from alpha-induced reactions with 7Li, 9Be, and 23Na to calculate neutron rates for both sources. A neutron/alpha production yield (derived in this work) was then related to the atomic concentration of these isotopes to find the approximate masses within each source. Ultimately, the AmLi source density was estimated with prompt gamma analysis based on partial source volumes as 0.45±0.08 g/cm^3.

DTRA, AmLi, neutron↗
DOE OSTI2024

Optical conductivity of overdoped cuprates from ab initio out-of-plane impurity potentials

Dopant impurity potentials determined by ab initio supercell density functional theory calculations are used to calculate the optical conductivity of overdoped La 2-x ⁢Sr x CuO 4 (LSCO) and Tl 2 ⁢Ba 2⁢ CuO 6+δ (Tl-2201) in the superconducting and normal states. Vertex corrections are included to account for the effect of forward scattering on two-particle properties. This approach was previously shown to provide good, semiquantitative agreement with measurements of superfluid density in LSCO. Here, in this study, we compare calculations of conductivity with measurements of terahertz conductivity on LSCO using identical impurity, band, and correlation parameters and find similarly good correspondence with experiment. In the process, we delineate the impact of the different disorder mechanisms on single-particle and transport relaxation processes. In particular, we reveal the critical role of apical oxygen vacancies in transport scattering and show that transport relaxation rates in LSCO are significantly reduced when apical oxygen vacancies are annealed out. These considerations are shown to be crucial for understanding the variability of experimental results for overdoped LSCO in samples of nominally identical doping but different types. Finally, we give predictions for Tl-2201 terahertz conductivity experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Superconducting magnesium diboride films for levitation of laser targets

Inertial confinement fusion targets would benefit from being levitated inside hohlraums to avoid capsule support-related implosion perturbations. Levitation inside a magnetic trap requires coating the capsule with a thin film that is superconducting at 20 K. Such non-epitaxial film growth on non-planar substrates is challenging. Here, we study Mg vapor annealing and solid-phase reactive inter-diffusion methods to form superconducting magnesium diboride (MgB 2 ) films on different planar and spherical carbon substrates, evaluating glassy carbon, polycrystalline diamond made by chemical vapor deposition, and carbon deposited by magnetron sputtering of graphite targets. Thin films of B and Mg are produced by magnetron sputtering onto stationary planar or rolling spherical substrates and annealed at either 600 or 850 °C in Mg vapor. The films are characterized by a combination of high-energy ion scattering, electron microscopy, and magnetometry. Results show that the critical superconducting temperature of resultant films depends on film microstructure and oxygen impurity content. The formation of MgB 2 films is also strongly substrate dependent, even in this case of non-epitaxial growth. Important factors to consider are oxygen outgassing of the substrate during thermal processing, substrate surface roughness, and the matching of thermal expansion coefficients of different layers in the multilayer structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Micro-segregation phenomena and related spectroscopic signals in melt-grown β-Ga2O3 single crystals

One of the primary advantages of β-Ga2O3 over incumbent wide bandgap semiconductors is the ability to grow directly from the melt. Melt growth, using Czochralski or similar methods, results in impurities in the crystal which originate from the crucible, such as iridium and other transition metals like chromium. These impurities exhibit optoelectronic signatures useful for their identification and sensitive to the Fermi energy of a given crystal (i.e., signatures vary with the electrical conductivity of the matrix). In this work, we describe how laser Raman systems can be used to map and spatially correlate Cr3+ photoluminescence, electronic-coupled Raman scattering from Ir4+d–d internal transitions, and the Raman line attributed to hydrogenic shallow donors. Laser ablation inductively coupled plasma mass spectrometry directly measured spatially dependent relative metal concentrations and confirmed spectroscopic signals resulting from heterogeneities in impurity concentrations in β-Ga2O3 boules. Mapping of photoluminescence and Raman-related signatures is, thus, demonstrated as an effective and facile method for spatial measurement of chemical heterogeneities in both insulating and conductive melt-grown β-Ga2O3 crystals.

Dutton, Benjamin L. (ORCID:000000031272130X)↗