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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Large electron-phonon drag asymmetry and reverse heat flow in the topological semimetal θ-TaN

A broad range of unusual transport behaviors have been discovered in topological semimetals. However, to date, the effect on the thermopower from intrinsic momentum exchange between electrons and phonons has received little attention. Here we report that huge electron-phonon drag enhancements of the thermopower of the to- pological semimetal, θ-phase tantalum nitride (θ-TaN), can occur that persist even up to room temperature. Our first principles calculations also identify a surprising asymmetry in which the large drag-enhanced thermopowers found slightly above the material’s chemical potential disappear just below it. The large thermopower en- hancements result from anomalous drag contributions from high frequency acoustic phonons with unusually small decay rates. The apparent vanishing drag results from (i) the emergence of an exceptionally high electrical conductivity promoted by the steep linear electronic dispersions extending below one of the topological nodal points; (ii) a remarkable cancellation in which momentum transferred from a charge current creates oppositely directed phonon heat currents of nearly equal magnitude, thereby masking the drag contributions. This extraordinary transport behavior is a consequence of an unusual interplay between intrinsic electron and phonon material properties in θ-TaN. Overall, our work gives new insights into the fundamental physical properties of coupled electron-phonon systems and motivates further exploration of drag effects in semimetals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

CMIP6 Models Underestimate the Holton‐Tan Effect

Abstract The teleconnection between the Quasi‐Biennial Oscillation (QBO) and the Arctic polar vortex is investigated using Coupled Model Intercomparison Project 6 (CMIP6) models. Output from 14 CMIP6 models is compared with reanalysis, three experiments with prescribed QBOs, one of which has no free polar stratospheric variability, and transient experiments in which a QBO is prescribed in runs previously devoid of a QBO. Each CMIP6 model underestimates the Holton‐Tan effect (HTE), the weakening of the polar vortex expected with QBO easterlies in the tropical lower stratosphere. To establish why, potential vorticity maps are used to investigate longitudinal variations in the teleconnection. Prescribing easterly QBO in the transient experiments promotes more high‐latitude planetary wave breaking by influencing the mid‐latitude stratospheric circulation, particularly over Asia. CMIP6 models that better simulate this response over Asia better simulate the HTE. These models also have stronger 10 hPa QBO westerlies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys

The sizes of the basins of attraction on the potential energy surface are helpful indicators in determining the experimental synthesizability of metastable phases. In principle, these basins can be controlled with changes in thermodynamic conditions such as composition, pressure, and surface energy. Herein, we use random structure sampling to computationally study how alloying smoothly perturbs basin of attraction sizes. The TaC 1-x N x pseudobinary is an ideal test system given the structural and polymorphic contrast of its parent compounds and their technological relevance as epitaxial substrates for Al 1-x Ga x N. While we find limited thermodynamic stability across all computationally observed phases, random structure sampling shows a significant composition region where the rocksalt basin dominates. As such, we predict the potential for the nonequilibrium synthesis of metastable rocksalt TaC 1-x N x alloys as substrates for Al 1-x Ga x N. At higher nitrogen concentrations, other low-energy metastable polymorphs emerge that continue to retain the hexagonal close packing suitable for III-N growth. Confidence in these trends was established through uncertainty quantification of the basin sizes and energy distributions; such analysis utilized the Beta and Dirichlet distributions. In conclusion, we also find (a) polymorph basin sizes can be rationalized in terms of energetic preferences for different coordination environments; and (b) basin sizes universally shrink with increasing nitrogen content, making the system more prone to amorphous growth.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multistate resistance in TaN/(Hf,Zr)O 2 /Ta ferroelectric tunnel junctions

Ferroelectric tunnel junctions (FTJs) utilizing hafnium zirconium oxide (HZO) have emerged as promising non-volatile memory elements for microelectronics, compatible with back end of line (BEOL) complementary–metal–oxide semiconductor fabrication. This study investigates asymmetric electrode TaN/HZO/Ta devices with a 6 nm thick HZO layer as FTJs for multistate resistive memory applications. The individual FTJs exhibit a resistance ratio exceeding 10× when utilized as a binary state device, with pulsing between −1.7 and +1.4 V to set the high resistance state (HRS) and low resistance state (LRS), respectively. Following with reduced write voltage pulses allows the ferroelectric device to operate with a selection of over 32 distinct resistance states (2 5 bits) between the LRS and HRS. This work then explores the stability of the resistance states during write/read pulse cycling, along with the stability of the state after multiple read pulses. Accessing the multibit state shows stability within 50 reads with the binary state remaining stable for more than 4000 reads pulses. With their multistate tunability and versatility, FTJs hold promise as BEOL memory elements for compute-in-memory (CiM) arrays, binary digital memory, or weighted vector matrix multiplication applications with low power consumption during computations.

CMOS↗
DOE OSTI2024

Effect of X-ray Irradiation and Carnauba Wax Coating on Quality of Lime (Citrus latifolia Tan.) Fruit

The quality of Persian (Tahiti) lime (Citrus latifoliaTan.) fruit was determined following coating with carnauba wax and X-ray irradiation at doses suitable for disinfestation of quarantine pests. Fruit with or without carnauba wax coating were treated with irradiation doses of 0, 150, 300, or 450 Gy, and stored for 14 days at 13 °C and 6 days at 20 °C to simulate commercial transportation and marketing conditions from Hawaii to the continental United States. The fruit color, weight loss, total soluble solids (TSS) content, and titratable acidity (TA) were analyzed at 7, 14, and 14 + 6 days post irradiation. Wax coating significantly delayed fruit peel discoloration, and reduced fruit weight loss by more than 7% compared with the unwaxed controls. Irradiation did not affectΔEof the peel for coated fruit at day 14 + 6. Irradiation with or without coating did not affectΔEof flesh color, weight loss, TSS content, or TA. Wax coating combined with irradiation treatment of limes at doses ≤450 Gy ensured marketable visual quality and chemical composition while providing quarantine security.

Agriculture↗
DOE OSTI2021

Metal Nitride Electrode Stress and Chemistry Effects on Phase and Polarization Response in Ferroelectric Hf 0.5 Zr 0.5 O 2 Thin Films

Ferroelectric phase stability in hafnium oxide is reported to be influenced by factors that include composition, biaxial stress, crystallite size, and oxygen vacancies. In the present work, the ferroelectric performance of atomic layer deposited Hf 0.5 Zr 0.5 O 2 (HZO) prepared between TaN electrodes that are processed under conditions to induce variable biaxial stresses is evaluated. The post-processing stress states of the HZO films reveal no dependence on the as-deposited stress of the adjacent TaN electrodes. All HZO films maintain tensile biaxial stress following processing, the magnitude of which is not observed to strongly influence the polarization response. Subsequent composition measurements of stress-varied TaN electrodes reveal changes in stoichiometry related to the different preparation conditions. HZO films in contact with Ta-rich TaN electrodes exhibit higher remanent polarizations and increased ferroelectric phase fractions compared to those in contact with N-rich TaN electrodes. HZO films in contact with Ta-rich TaN electrodes also have higher oxygen vacancy concentrations, indicating that a chemical interaction between the TaN and HZO layers ultimately impacts the ferroelectric orthorhombic phase stability and polarization performance. The results of this work demonstrate a necessity to carefully consider the role of electrode processing and chemistry on performance of ferroelectric hafnia films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Electrode chemistry impact on retention performance of ferroelectric hafnium zirconium oxide (Hf 0.5 Zr 0.5 O 2−x ) capacitors

Polarization retention of 10 nm thick ferroelectric hafnium zirconium oxide (Hf 0.5 Zr 0.5 O 2−x , HZO) capacitors with W and TaN electrodes is investigated over temperatures ranging from 85 to 150 °C. Same state and opposite state polarization margins for devices with W electrodes show minimal retention loss after 10 5 at 150 °C. The devices capped with TaN electrodes show excellent same state retention, but the opposite state polarization margin in the TaN-electrode devices displays 40% retention loss at 150 °C after 10 5 s. The TaN-capped devices exhibit a more pronounced imprint, which is attributed to an increased oxygen vacancy content (compared to W-capped devices). The increased oxygen vacancy content in the TaN-capped devices is supported by photoluminescence and leakage current measurements. In addition, TaN-capped devices have chemically diffuse electrode–HZO interfaces; more abrupt interfaces are present in the W-capped devices. The presence of interfacial phases in the TaN-capped devices may lead to larger depolarization fields due to reduced charge screening. The results from this study provide further evidence that for HZO ferroelectric devices the electrode can significantly impact polarization retention behavior due to differences in oxygen vacancy concentration and formation of non-ferroelectric interfacial layers.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Temperature-dependent dielectric function of tantalum nitride formed by atomic layer deposition for tunnel barriers in Josephson junctions

Here, we report the dielectric functions of insulating tantalum nitride (TaN) films deposited by atomic layer deposition (ALD) on 300 mm Si/SiO 2 substrates to evaluate their suitability as tunnel barriers in tantalum-based Josephson junctions (JJs) for superconducting quantum circuits. Temperature-dependent ellipsometric angles were measured for ALD TaN films with nominal thicknesses of 13 and 25 nm at an incidence angle of 70°, over photon energy ranges of 0.03–0.7 eV (80–300 K) and 0.5–6.5 eV (80–600 K). These data were used to develop a dispersion model for insulating ALD TaN that incorporates a Tauc–Lorentz oscillator with an optical bandgap of 1.5–1.8 eV to describe interband transitions. The extracted dielectric function shows insulating behavior (mid-infrared transparency) at all temperatures and for both film thicknesses tested. In particular, ALD TaN does not exhibit infrared absorption due to free carriers, even at elevated temperatures, consistent with the insulating behavior required for a JJ tunnel barrier. Results from transmission electron microscopy (including selected area electron diffraction) and x-ray diffraction are also discussed. Sputter depth-profile x-ray photoelectron spectroscopy shows an N/Ta ratio of ∼1.2 throughout the film. The lower bandgap, low roughness, and thermal stability of ALD TaN compared to AlO x suggest the possibility of fabricating JJs with thicker barriers while achieving critical current densities required for qubits, enabling improved thickness and composition control, reduced topography, and resistance to aging.

36 MATERIALS SCIENCE↗
DOE OSTI2022

New Constraints on the Dark Matter Density Profiles of Dwarf Galaxies from Proper Motions of Globular Cluster Streams

The central density profiles in dwarf galaxy halos depend strongly on the nature of dark matter (DM). Recently, in Malhan et al. we employed N-body simulations to show that the cuspy cold DM subhalos predicted by cosmological simulations can be differentiated from cored subhalos using the properties of accreted globular cluster (GC) streams since these GCs experience tidal stripping within their parent halos prior to accretion onto the Milky Way. We previously found that clusters that are accreted within cuspy subhalos produce streams with larger physical widths and higher dispersions in line-of-sight velocity and angular momentum than streams that are accreted within cored subhalos. Here, we use the same suite of simulations to demonstrate that the dispersion in the tangential velocities of streams (${\sigma }_{{v}_{\mathrm{Tan}}}$) is also sensitive to the central DM density profiles of their parent dwarfs and GCs that they were accreted from; cuspy subhalos produce streams with larger ${\sigma }_{{v}_{\mathrm{Tan}}}$ than those accreted inside cored subhalos. Using Gaia EDR3 observations of multiple GC streams we compare their ${\sigma }_{{v}_{\mathrm{Tan}}}$ values with simulations. The measured ${\sigma }_{{v}_{\mathrm{Tan}}}$ values are consistent with both an “in situ” origin and with accretion inside cored subhalos of M ~ 10 8–9 M ⊙ (or very low-mass cuspy subhalos of mass ~10 8 M ⊙ ). Despite the large current uncertainties in ${\sigma }_{{v}_{\mathrm{Tan}}}$, we find a low probability that any of the progenitor GCs were accreted from cuspy subhalos of M ≳ 10 9 M ⊙ . The uncertainties on Gaia tangential velocity measurements are expected to decrease in future and will allow for stronger constraints on subhalo DM density profiles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Transferable Adversarial Attack on 3D Object Tracking in Point Cloud

3D point cloud object tracking has recently witnessed considerable progress relying on deep learning. Such progress, however, mainly focuses on improving tracking accuracy. The risk, especially considering that deep neural network is vulnerable to adversarial perturbations, of a tracker being attacked is often neglected and rarely explored. In order to attract attentions to this potential risk and facilitate the study of robustness in point cloud tracking, we introduce a novel transferable attack network (TAN) to deceive 3D point cloud tracking. Specifically, TAN consists of a 3D adversarial generator, which is trained with a carefully designed multi-fold drift (MFD) loss. The MFD loss considers three common grounds, including classification, intermediate feature and angle drifts, across different 3D point cloud tracking frameworks for perturbation generation, leading to high transferability of TAN for attack. In our extensive experiments, we demonstrate the proposed TAN is able to not only drastically degrade the victim 3D point cloud tracker, \ie, P2B, but also effectively deceive other unseen state-of-the-art approaches such as BAT and M^2Track, posing a new threat to 3D point cloud tracking.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Viscoelastic-Mapping of Cellulose Nanofibrils Using Low-Total-Force Contact Resonance Force Microscopy (LTF-CRFM)

Low-total-force contact resonance force microscopy (LTF-CRFM), an atomic force microscopy method, is introduced as a non-destructive means to quantify the local viscoelastic loss tangent (tan..delta..) of supported cellulose nanofibrils (CNFs). The method limits static and dynamic forces during measurement to minimize substrate and geometry effects and to reduce the potential for stress-induced CNF damage. LTF-CRFM uses Brownian motion to achieve the thermally-limited lowest dynamic force, while approaching adhesive pull-off to achieve the low static force. LTF-CRFM measurements were shown to generate analyzable data without evidence of nonlinear artifacts and without damage to the CNF over static forces ranging from 11.6 to 84.6 nN. The measured tan..delta.. of CNFs was 0.015 +/- 0.0094, which is the first reported tan..delta.. measurement of an isolated CNF. Finally, LTF-CRFM successfully mapped tan..delta.. along the length of CNFs to determine that kink defects along the CNF do not impart a local viscoelastic property change at the spatial resolution of the measurement.

BIOMASS FUELS↗
DOE OSTI2022

Muon $$\mathbf {g-2}$$, neutralino dark matter and stau NLSP

Abstract We explore the implications of resolving the muon $$g-2$$ g - 2 anomaly in a $$SU(4)_c \times SU(2)_L \times SU(2)_R$$ S U ( 4 ) c × S U ( 2 ) L × S U ( 2 ) R model, where the soft supersymmetry breaking scalar and gaugino masses break the left-right (LR) symmetry. A 2 $$\sigma $$ σ resolution of the anomaly requires relatively light sleptons, chargino and LSP neutralino. The stau turns out to be the NLSP of mass $$m_{\tilde{\tau }}\lesssim 400$$ m τ ~ ≲ 400 GeV, and the sleptons from the first two families can be as heavy as about 800 GeV. The chargino is also required to be lighter than about 600 GeV to accommodate the muon $$g-2$$ g - 2 solutions consistent with the dark matter relic density constraint. The dominant right-handed nature of the light slepton states suppress the sensitivity of possible signals which can be probed in Run3 experiments at the LHC. We also discuss the impact of accommodating the Higgs boson mass and the vacuum stability of the scalar potential for these solutions. Although a light stau can be compatible with the stability of the scalar potential, the Higgs boson mass constraint has a strong impact on the solutions with $$\tan \beta $$ tan β bounded from above, namely $$\tan \beta \lesssim 20$$ tan β ≲ 20 . The Higgsinos are heavier than about 4 TeV, and the LSP neutralino has the correct relic density if it is Bino-like. We identify stau–neutralino coannihilation as the dominant mechanism for realizing the desired dark matter relic density, with sneutrino–neutralino coannihiliation playing a minor role. These bino-like dark matter solutions can yield a spin-independent scattering cross-section on the order of $$10^{-13}$$ 10 - 13 pb which hopefully, can be expected to be tested in the near future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Upper bound on the smuon mass from vacuum stability in the light of muon g–2 anomaly

We derive an upper bound on the smuon mass assuming that the muon anomaly is explained by the supersymmetric (SUSY) contribution. In the minimal SUSY standard model, the SUSY contribution to the muon g–2 is enhanced when the Higgsino mass parameter is large. Then, the smuon-smuon-Higgs trilinear coupling is enhanced, which may destabilize the electroweak vacuum. We calculate precisely the decay rate of the electroweak vacuum in such a case. We include one-loop effects which are crucial to determine the overall normalization of the decay rate. Requiring that the theoretical prediction of the muon anomalous magnetic moment is consistent with the observed value at the 1 and 2σ levels (equal to the central value of the observed value), we found that the lightest smuon mass should be smaller than 1.38 and 1.68 TeV (1.20 TeV) for tan β (with tan β being the ratio of the vacuum expectation values of the two Higgs bosons), respectively, and the bound is insensitive to the value of tan β.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Tantalum oxide and nitride spectral features from a laser-produced plasma

Here, we report measurements of time-resolved Ta, TaO and TaN emission spectroscopic signatures from a laser-produced plasma. Plasmas were generated using 1064 nm, 6 ns pulses from an Nd:YAG laser focused onto a pure Ta metal target in a gaseous environment with varying percentages of O 2 /N 2 for controlling gas-phase oxidation/plasma chemistry. Time-resolved analysis showed that Ta oxide emission is prominent at later times in plasma evolution, whereas strong atomic emission is present at early times in air. Emission spectral features as a function of O 2 partial pressure showed that TaO emission intensity increases, while the peak intensity of TaO appears earlier with increasing O 2 availability. We also report emission spectra of TaN, and show that plasma chemistry favors TaO formation instead of TaN when O 2 is present in the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reactive Modified Epoxy Resin and Its Miscible Blends Based on Recycled Oligomers from Solvolysis

Chemical depolymerization of fully cured epoxy resin with 20% reactive modifier was successfully performed via a solvent-assisted solvolysis process into low molecular weight recyclable oligomers (RO) at 240 °C in a pressure vessel at 650 psi for 4 h. The thermoset epoxy resin was depolymerized into transparent brown viscous fluid with a higher viscosity than the uncured epoxy resin with approximately 93% yield. Different concentrations of the RO were homogeneously mixed with the pure epoxy resin, and their curing kinetics, viscosity, FTIR, mechanical properties, DMA, and cross-link density were investigated. The curing kinetics of the pure reactive modified epoxy resin (baseline) and its mixtures with RO of different concentrations were investigated under both isothermal and nonisothermal conditions using small amplitude oscillatory shear flow. The elastic and viscous moduli (G′ and G″), complex viscosity (η*), and tan δ values were evaluated at different curing times and temperatures. The G′, G″, and η* increased dramatically, while tan δ decreased strongly by several orders of magnitude at the gel point. The zero-shear viscosity (η 0 ) was determined from the angular frequency dependent on η* based on the Cross model for different blend compositions in the liquid state before curing. The composition dependence of η 0 showed a positive deviation from the linear mixing rule and was well described by the Lecyar model. Here, the apparent activation energy of curing (E a ) was also evaluated according to the Arrhenius equation and was found to be 46 ± 2 kJ/mol regardless of the different contents of RO. For all blends up to 40 wt % RO, only one tan δ peak systematically shifting to lower temperatures with increasing content of RO was observed in the DMA measurements, indicating that the epoxy resin and the RO are miscible with up to 40 wt % RO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗