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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 OSTI2024

Microwave and rf Spectroscopy of 2D Carrier Systems and Bilayers (Final Technical Report)

We performed microwave spectroscopic studies of two dimensional electron systems (2DES) exhibiting the quantum Hall effect (QHE) in GaAs/Al${_x}$Ga$_{1-x}$As heterostructures. A common theme of the proposed work is electron solids, of which the simplest is the Wigner crystal, a triangular lattice of individual carriers. The solids are stabilized by carrier-carrier interaction and occur under conditions when the kinetic energy of the system is "frozen out" by high magnetic field, $B$. One of the main reasons for microwave spectroscopic study of 2DES is that the solid phases have striking microwave or rf spectra. In the low wave vector ($q$) limit these spectra exhibit a resonance that is understood as a pinning mode, a small collective oscillation of pieces of the solid within the disorder potential. Pinning modes can be very sharp, with quality factors up to around 30, and are valuable as signatures of the electron solids, and can reveal a solid even when standard dc transport shows an insulator, an integer QHE, or even a fractional QHE The pinning mode also is sensitive to the solid properties, and can reveal transitions between solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Space charge effects for collective instabilities in circular machines

Abstract Coulomb fields of charged particle beams in circular machines determine, together with wake fields, modes of the collective beam oscillations, for both transverse and longitudinal degrees of freedom. Recent progress in these two areas of beam dynamics is discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Travel Decision Survey - San Francisco - 2012

On behalf of the San Francisco Municipal Transportation Agency (SFMTA), Corey, Canapary & Galanis undertook a Travel Decision Survey within the City and County of San Francisco, as well the eight surrounding Bay Area counties of Alameda, Contra Costa, San Mateo, Marin, Santa Clara, Napa, Sonoma, and Solano. The primary goals of this study were to accurately assess mode share for trips within San Francisco (including trips to or from San Francisco, but excluding through trips) among city residents and residents of other Bay Area counties; provide additional trip details, including trip purpose information for each trip in the mode-share question series; and use the mode-share percentages collected on this survey in conjunction with total trip estimates provided by SFMTA to project the number of trips by mode on an average day in San Francisco.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Leggett modes in a Dirac semimetal

Abstract Experiments have shown that several materials, including MgB 2 , iron-based superconductors and monolayer NbSe 2 , are multiband superconductors. Superconducting pairing in multiple bands can give rise to phenomena not available in a single band, including Leggett modes. A Leggett mode is the collective periodic oscillation of the relative phase between the phases of the superconducting condensates formed in the different bands. The experimental observation of Leggett modes is challenging because multiband superconductors are rare and because these modes describe charge fluctuations between bands and therefore are hard to probe directly. Also, the excitation energy of a Leggett mode is often larger than the superconducting gaps, and therefore they are strongly overdamped via relaxation processes into the quasiparticle continuum. Here, we show that Leggett modes and their frequency can be detected in a.c. driven superconducting quantum interference devices. We then use the results to analyse the measurements of such a quantum device, one based on a Dirac semimetal Cd 3 As 2 , in which superconductivity is induced by proximity to superconducting Al. These results show the theoretically predicted signatures of Leggett modes, and therefore we conclude that a Leggett mode is present in the two-band superconducting state of Cd 3 As 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

High-Brightness Self-seeded X-ray Free Electron Laser to Precisely Map Macromolecular Structure

Two datasets were uploaded. Run numbers #r0101~#r0112 were collected from self-seeded XFEL mode. Run numbers #r0079~#r0088 and #r0090 were collected from SASE mode. The run number is shown in the file name as "ue_191027_SFX_runnumber-c00.cxi.". To understand the effect of self-seeded XFEL source, we used the datasets from run numbers #r0102 to #r0112. Datasets used were randomly chosen. - SS1 is from #r0102~#r0112. - SS2 is from #r0102~#r0105 and #r0109. - SS3 is from #r0104 and #r0105. To compare self-seeded mode and SASE mode, we also used corresponding three SASE datasets labeled as SASE1, SASE2, and SASE3 from run numbers #r0079 to #r0089. Datasets used were randomly chosen. - SASE1 is from #r0079~#r0089. - SASE2 is from #r0080, #r0081, #r0085, #r0087. - SASE3 is composed of #r0079, #r0080.

Lysozyme↗
DOE OSTI2022

Driving chemical reactions with polariton condensates

Abstract When molecular transitions strongly couple to photon modes, they form hybrid light-matter modes called polaritons. Collective vibrational strong coupling is a promising avenue for control of chemistry, but this can be deterred by the large number of quasi-degenerate dark modes. The macroscopic occupation of a single polariton mode by excitations, as observed in Bose-Einstein condensation, offers promise for overcoming this issue. Here we theoretically investigate the effect of vibrational polariton condensation on the kinetics of electron transfer processes. Compared with excitation with infrared laser sources, the vibrational polariton condensate changes the reaction yield significantly at room temperature due to additional channels with reduced activation barriers resulting from the large accumulation of energy in the lower polariton, and the many modes available for energy redistribution during the reaction. Our results offer tantalizing opportunities to use condensates for driving chemical reactions, kinetically bypassing usual constraints of fast intramolecular vibrational redistribution in condensed phase.

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

Direct observation of the quantum fluctuation driven amplitude mode in a microcavity polariton condensate

The Higgs amplitude mode is a collective excitation studied and observed in a broad class of matter, including superconductors, charge density waves, antiferromagnets, 3He p-wave superfluid, and ultracold atomic condensates. In all the observations reported thus far, the amplitude mode was excited by perturbing the condensate out of equilibrium. Studying an exciton-polariton condensate, here, we report the observation of this amplitude mode purely driven by intrinsic quantum fluctuations without such perturbations. By using an ultrahigh quality microcavity and a Raman spectrometer to maximally reject photoluminescence (PL) from the condensate, we observe weak but distinct PL at energies below the condensate emission. We identify this as the so-called ghost branches of the amplitude mode arising from quantum depletion of the condensate into this mode. These energies, as well as the overall structure of the PL spectra, are in good agreement with our theoretical analysis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Revealing subterahertz atomic vibrations in quantum paraelectrics by surface-sensitive spintronic terahertz spectroscopy

Understanding surface collective dynamics in quantum materials is crucial for advancing quantum technologies. For example, surface phonon modes in quantum paraelectrics are thought to be essential in facilitating interfacial superconductivity. However, detecting these modes, especially below 1 terahertz, is challenging because of limited sampling volumes and the need for high spectroscopic resolution. Here, we report surface soft transverse optical (TO1) phonon dynamics in KTaO 3 and SrTiO 3 by surface-sensitive spintronic terahertz spectroscopy that can sense the collective modes only a few nanometers deep from the surface. In KTaO 3 , the TO1 mode softens and sharpens with decreasing temperature, leveling off at 0.7 terahertz. In contrast, this mode in SrTiO 3 broadens substantially below the quantum paraelectric crossover and coincides with the hardening of a sub–milli–electron volt phonon mode related to the antiferrodistortive transition. These observations that deviate from their bulk properties may have implications for interfacial superconductivity and ferroelectricity. The developed technique opens opportunities for sensing low-energy surface collective excitations.

Chu, Zhaodong↗
DOE OSTI2021

Shocks and information exchange in de Sitter space

We discuss some implications of recent progress in understanding the black hole information paradox for complementarity in de Sitter space. Extending recent work by two of the authors, we describe a bulk procedure that allows information expelled through the cosmological horizon to be received by an antipodal observer. Generically, this information transfer takes a scrambling time t=H- 1 (S ds ). We emphasize that this procedure relies crucially on selection of the Bunch-Davies vacuum state, interpreted as the thermofield double state that maximally entangles two antipodal static patches. The procedure also requires the presence of an (entangled) energy reservoir, created by the collection of Hawking modes from the cosmological horizon. We show how this procedure avoids a cloning paradox and comment on its implications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Automated Grain Boundary (GB) Segmentation and Microstructural Analysis in 347H Stainless Steel Using Deep Learning and Multimodal Microscopy

Austenitic 347H stainless steel offers superior mechanical properties and corrosion resistance required for extreme operating conditions such as high temperature. The change in microstructure due to composition and process variations is expected to impact material properties. Identifying microstructural features such as grain boundaries thus becomes an important task in the process-microstructure-properties loop. Applying convolutional neural network (CNN)-based deep learning models is a powerful technique to detect features from material micrographs in an automated manner. In contrast to microstructural classification, supervised CNN models for segmentation tasks require pixel-wise annotation labels. However, manual labeling of the images for the segmentation task poses a major bottleneck for generating training data and labels in a reliable and reproducible way within a reasonable timeframe. Microstructural characterization especially needs to be expedited for faster material discovery by changing alloy compositions. Here, in this study, we attempt to overcome such limitations by utilizing multimodal microscopy to generate labels directly instead of manual labeling. We combine scanning electron microscopy images of 347H stainless steel as training data and electron backscatter diffraction micrographs as pixel-wise labels for grain boundary detection as a semantic segmentation task. The viability of our method is evaluated by considering a set of deep CNN architectures. We demonstrate that despite producing instrumentation drift during data collection between two modes of microscopy, this method performs comparably to similar segmentation tasks that used manual labeling. Additionally, we find that naïve pixel-wise segmentation results in small gaps and missing boundaries in the predicted grain boundary map. By incorporating topological information during model training, the connectivity of the grain boundary network and segmentation performance is improved. Finally, our approach is validated by accurate computation on downstream tasks of predicting the underlying grain morphology distributions which are the ultimate quantities of interest for microstructural characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

237 Np Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly

Precise integral measurement of fast neutron-induced fission product yields for various actinides is of high interest for applied nuclear science. The goal of this effort is to improve uncertainties in fission product yield values of 237 Np. Fission was induced in a NpO 2 (NO 3 ) target using the Godiva IV critical assembly in burst mode. The irradiated sample was transferred to a high-resolution γ-ray detection setup within 50 minutes. γ-ray list mode data was collected from 50 minutes to 1 week after the irradiation. γ-ray spectroscopy was performed to analyze the time dependent γ-ray yields using an automated peak search algorithm to identify isotopes by their decay γ-ray energy and half-life. Finally, the initial activity for each isotope identified was used to calculate their fission product yield.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

239 Pu Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly

Precise integral measurement of fast neutron-induced fission product yields for various actinides is of high interest for applied nuclear science. The goal of this effort is to improve uncertainties in fission product yield values of 239 Pu. Fission was induced in a pure 239 Pu (>99%) target using the Godiva IV critical assembly in burst mode. Further, the irradiated sample was transferred to a high-resolution γ-ray detector within 45 minutes. γ-ray list mode data was collected from 45 minutes to 1 week after the irradiation. γ-ray spectroscopy was performed to analyze the time dependent γ-ray yields using an automated peak search algorithm to identify isotopes by their decay γ-ray energy and half-life. The initial activity for each isotope identified was used to calculate their fission product yield.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Low Frequency Vibrational Modes of Two-Dimensional Lead-Free Metal Halide Double Perovskites

2D layered double perovskites of (S-MPA) 4 AgBiI 8 (MPA-AgBiI 8 ) and (S-MPA) 4 CuBiI 8 (MPA-CuBiI 8 ) (S-MPA, S-β-methylphenethylammonium) were synthesized with a hydrothermal method. The crystal structure of MPA-AgBiI 8 was determined using single-crystal X-ray diffraction (scXRD). Powder XRD (pXRD) data suggest that the crystal structure of MPA-CuBiI 8 is more complex than that of MPA-AgBiI 8 . UV-Vis electronic absorption spectra of these perovskites reveal a bandgap of 2.03 eV for both. Short exciton lifetime from time-resolved photoluminescence (TRPL) results and low PL intensity of the Cu-based perovskite suggest a high density of trap states within the bandgap. Low frequency Raman spectra of both materials show distinct peaks and a slightly higher frequency for the Cu-based perovskite than the Ag-based perovskite. Density functional theory (DFT) calculations were conducted to simulate the low frequency Raman spectra and help explain the different phonon modes, which are collective vibrations of metal halide bond bending and stretching within the Ag- and Cu-centered octahedra coupled with MPA libration and twisting within the inorganic layer. The DFT theory also quantified octahedral distortions in the two perovskites. Furthermore, this combined experimental and computational study provides new insights into the low frequency vibrations of 2D perovskites.

Halogens↗
DOE OSTI2020

Forecasting the Decay of Hybrid Perovskite Performance Using Optical Transmittance or Reflected Dark-Field Imaging

The practicality and economic viability of hybrid perovskite solar cells hinge on their operational lifetime, and methods for forecasting the performance of perovskites under different operational stresses are urgently needed. Here, we explore the evolution of material-level optoelectronic properties as MAPbI 3 degrades and discover universal behaviors where the carrier diffusion length (L D ) decays before quasi-Fermi-level splitting (ΔE F ), regardless of the specific stress protocol (oxygen, humidity, thermal stress, or a combination). We employ a machine learning greedy feature selection model that uses initially measured properties to predict the time it takes L D to decrease to 85% of its initial value with a prediction accuracy of 12.8%. This model reveals a strong correlation between the initial rate of transmittance change and the time until loss of transport. We translate this material-level finding to photovoltaic device-level forecasting by demonstrating that the rate of change of transmittance is equivalent to the rate of change of the spatial standard deviation of dark-field image intensity (i.e., scattered light intensity) collected in reflection mode (and thus applicable to devices with opaque contacts). Furthermore, this work demonstrates that transmittance and scattering methods are highly effective for accelerated material (and device) stability evaluation and forecasting.

14 SOLAR ENERGY↗
DOE OSTI2024

Experimental Observation of a New Attenuation Mechanism in hcp ‐Metals That May Operate in the Earth's Inner Core

Abstract Seismic observations show the Earth's inner core has significant and unexplained variation in seismic attenuation with position, depth and direction. Interpreting these observations is difficult without knowledge of the visco‐ or anelastic dissipation processes active in iron under inner core conditions. Here, a previously unconsidered attenuation mechanism is observed in zinc, a low pressure analog ofhcp‐iron, during small strain sinusoidal deformation experiments. The experiments were performed in a deformation‐DIA combined with X‐radiography, at seismic frequencies (∼0.003–0.1 Hz), high pressure and temperatures up to ∼80% of melting temperature. Significant dissipation (0.077 ≤ Q −1 (ω) ≤ 0.488) is observed along with frequency dependent softening of zinc's Young's modulus and an extremely small activation energy for creep (⩽7 kJ mol −1 ). In addition, during sinusoidal deformation the original microstructure is replaced by one with a reduced dislocation density and small, uniform, grain size. This combination of behavior collectively reflects a mode of deformation called “internal stress superplasticity”; this deformation mechanism is unique to anisotropic materials and activated by cyclic loading generating large internal stresses. Here we observe a new form of internal stress superplasticity, which we name as “elastic strain mismatch superplasticity.” In it the large stresses are caused by the compressional anisotropy. If this mechanism is also active inhcp‐iron and the Earth's inner‐core it will be a contributor to inner‐core observed seismic attenuation and constrain the maximum inner‐core grain‐size to ≲10 km.

Geochemistry & Geophysics↗
DOE OSTI2021

High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range

A self-seeded X-ray free-electron laser (XFEL) is a promising approach to realize bright, fully coherent free-electron laser (FEL) sources in the hard X-ray domain that have been a long-standing issue with longitudinal coherence remaining challenging. Additionally, at the Pohang Accelerator Laboratory XFEL, we have demonstrated a hard X-ray self-seeded XFEL with a peak brightness of 3.2 × 10 35 photons s –1 mm –2 mrad –2 0.1% bandwidth (BW) –1 at 9.7 keV. The bandwidth (0.19 eV) is about 1/70 times as wide (close to the Fourier transform limit) and the peak spectral brightness is 40 times higher than in self-amplified spontaneous emission (SASE), with substantial improvements in the stability of self-seeding and noticeably suppressed pedestal effects. We could reach an excellent self-seeding performance at a photon energy of 3.5 keV (lowest) and 14.6 keV (highest) with the same stability as the 9.7 keV self-seeding. The bandwidth of the 14.6 keV seeded FEL was 0.32 eV, and the peak brightness was 1.3 × 10 35 photons s –1 mm –2 mrad –2 0.1%BW –1 . We show that the use of seeded FEL pulses with higher reproducibility and a cleaner spectrum results in serial femtosecond crystallography data of superior quality compared with data collected using SASE mode.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Subcritical Neutron and Gamma Noise Measurements at the Seven Percent Critical Experiment (7uPCX)

As part of a collaborative international effort organized by Lawrence Livermore National Laboratory (LLNL), with key participants from L’Institut de radioprotection et de sûreté nucléaire (IRSN), Los Alamos National Laboratory (LANL), and Sandia National Laboratories (SNL), a series of high-multiplication subcritical neutron and gamma noise measurements were planned and executed. The primary aim of this research was to advance detector technology, assess the validity of gamma noise for subcriticality measurements, and nuclear criticality safety, focusing on collecting list-mode or time-series data from various reactor configurations with multiplication values ranging from 20 to 310. This comprehensive dataset enabled a detailed comparative analysis of multiple detector systems and the results of both neutron and gamma noise measurements. In this work we focus on experimentally comparing the results from neutron and gamma noise measurements. We note good agreement between estimations of the prompt neutron decay constant and demonstrate the effects of changing reactor geometry on the efficiency of the differing methods.

Criticality↗
DOE OSTI2023

Simulations with machine learning potentials identify the ion conduction mechanism mediating non-Arrhenius behavior in LGPS

Abstract Li 10 Ge(PS 6 ) 2 (LGPS) is a highly concentrated solid electrolyte, in which Coulombic repulsion between neighboring cations is hypothesized as the underlying reason for concerted ion hopping, a mechanism common among superionic conductors such as Li 7 La 3 Zr 2 O 12 (LLZO) and Li 1.3 Al 0.3 Ti 1.7 (PO 4 ) 3 (LATP). While first principles simulations using molecular dynamics (MD) provide insight into the Li + transport mechanism, historically, there has been a gap in the temperature ranges studied in simulations and experiments. Here, we used a neural network potential trained on density functional theory (DFT) simulations, to run up to 40-nanosecond long MD simulations at DFT-like accuracy to characterize the ion conduction mechanisms across a range of temperatures that includes previous simulations and experimental studies. We have confirmed a Li + sublattice phase transition in LGPS around 400 K, below which the ab -plane diffusivity D a b ∗ is drastically reduced. Concomitant with the sublattice phase transition near 400 K, there is less cation-cation (cross) correlation, as characterized by Haven ratios closer to 1, and the vibrations in the system are more harmonic at lower temperature. Intuitively, at high temperature, the collection of vibrational modes may be sufficient to drive concerted ion hops. However, near room temperature, the vibrational modes available may be insufficient to overcome electrostatic repulsion, thus resulting in less correlated ion motion and comparatively slower ion conduction. Such phenomena of a sublattice phase transition, below which concerted hopping plays a less significant role, may be extended to other highly concentrated solid electrolytes such as LLZO and LATP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗