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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quarkonium polarization in medium from open quantum systems and chromomagnetic correlators

Here, by considering the Markovian condition and applying the Wigner transformation upon the diagonal spin components of the quarkonium density matrix with the semiclassical expansion, we systematically derive the Boltzmann transport equation for quarkonia with polarization dependence in the quantum optical limit. Unlike the spin-independent collision terms governed by certain chromoelectric field correlators, new gauge invariant correlators of chromomagnetic fields determine the recombination and dissociation terms with polarization dependence at the order we are working. We also derive a Lindblad equation describing the in-medium transitions between spin-singlet and spin-triplet heavy quark-antiquark pairs in the quantum Brownian motion limit. The Lindblad equation is governed by new transport coefficients defined in terms of the chromomagnetic field correlators. Our formalism is generic and valid for both weakly coupled and strongly coupled quark gluon plasmas. It can be further applied to study spin alignment of vector quarkonia in heavy ion collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Attosecond Time-Domain Measurement of Core-Level-Exciton Decay in Magnesium Oxide

Excitation of ionic solids with extreme ultraviolet pulses creates localized core-level excitons, which in some cases couple strongly to the lattice. In this paper, core-level-exciton states of magnesium oxide are studied in the time domain at the Mg L 2 , 3 edge with attosecond transient reflectivity spectroscopy. Attosecond pulses trigger the excitation of these short-lived quasiparticles, whose decay is perturbed by time-delayed near-infrared pulses. Combined with a few-state theoretical model, this reveals that the infrared pulse shifts the energy of bright (dipole-allowed) core-level-exciton states as well as induces features arising from dark core-level excitons. We report coherence lifetimes for the two lowest core-level excitons of 2.3 ± 0.2 and 1.6 ± 0.5 fs and show that these are primarily a consequence of strong exciton-phonon coupling, disclosing the drastic influence of structural effects in this ultrafast relaxation process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Phonon Helicity Induced by Electronic Berry Curvature in Dirac Materials

In two-dimensional insulators with time-reversal (TR) symmetry, a nonzero local Berry curvature of low-energy massive Dirac fermions can give rise to nontrivial spin and charge responses, even though the integral of the Berry curvature over all occupied states is zero. In this Letter, we present a new effect induced by the electronic Berry curvature. By studying electron-phonon interactions in BaMnSb2, a prototype two-dimensional Dirac material possessing two TR-related massive Dirac cones, we find that the nonzero local Berry curvature of electrons can induce a phonon angular momentum. The direction of this phonon angular momentum is locked to the phonon propagation direction, and thus we refer to it as “phonon helicity” in a way that is reminiscent of electron helicity in spin-orbit-coupled electronic systems. We discuss possible experimental probes of such phonon helicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Signatures of Multiband Effects in High-Harmonic Generation in Monolayer MoS 2

High-harmonic generation (HHG) in solids has been touted as a way to probe ultrafast dynamics and crystal symmetries in condensed matter systems. Here, we investigate the polarization properties of high-order harmonics generated in monolayer MoS 2 , as a function of crystal orientation relative to the mid-infrared laser field polarization. At several different laser wavelengths we experimentally observe a prominent angular shift of the parallel-polarized odd harmonics for energies above approximately 3.5 eV, and our calculations indicate that this shift originates in subtle differences in the recombination dipole strengths involving multiple conduction bands. Further, this observation is material specific and is in addition to the angular dependence imposed by the dynamical symmetry properties of the crystal interacting with the laser field, and may pave the way for probing the vectorial character of multiband recombination dipoles.

2-dimensional systems↗
DOE OSTI2025

Nonvariational ADAPT algorithm for quantum simulations

We explore a nonvariational quantum state preparation approach combined with the ADAPT operator selection strategy in the application of preparing the ground state of a desired target Hamiltonian. In this algorithm, energy gradient measurements determine both the operators and the gate parameters in the quantum circuit construction. We compare this nonvariational algorithm with ADAPT-VQE and with feedback-based quantum algorithms in terms of the rate of energy reduction, the circuit depth, and the measurement cost in molecular simulation. We find that, despite using deeper circuits, this new algorithm reaches chemical accuracy at a similar measurement cost to ADAPT-VQE. Since it does not rely on a classical optimization subroutine, it may provide robustness against circuit parameter errors due to imperfect control or gate synthesis.

Tang'S, Ho Lun [Virginia Polytechnic Inst. and Sta↗
DOE OSTI2021

World Record Demonstration of > 30% Thermophotovoltaic Conversion Efficiency

Thermophotovoltaic (TPV) devices are solid-state heat engines that convert thermal radiation into electricity using semiconductor diodes, and have applications in energy storage, primary power conversion, and waste heat recovery. Higher temperature emitters and wider band gap photovoltaics (PVs) generally afford higher TPV efficiencies. High temperature emitters are accessible in thermal energy storage applications. We have demonstrated a world record 31% +/- 2% TPV conversion efficiency with a 0.9 cm2 GaAs-based PV device under a 2430 °C thermal emitter, producing an electrical output power of 2.23 W. Critical to the result was the cell’s high reflectance of photon energies below the device band gap. Unlike solar PV, for which sub-band gap (SBG) light is lost, a TPV cell can reflect and recycle SBG light to the thermal emitter. The demonstration was made on a custom-built measurement platform in which a ~100 cm2 graphite thermal emitter was heated under vacuum up to 2430 °C. The TPV efficiency was evaluated by comparing the measured electrical output power of the TPV with the calorimetrically measured total net power incident on the cell. The measured TPV efficiency as a function of thermal emitter temperature was corroborated by our full system modeling predictions. As far as the authors are aware, this is the highest TPV conversion efficiency ever measured, and device improvements should yield > 40% efficiency in the near future.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2021

Elastic and thermodynamic properties of cerium-doped yttrium aluminum garnets

Cerium-doped yttrium aluminum garnets (Y 3-x Ce x Al 5 O 12 , Ce:YAGs) are promising yellow light-emitting components of solid-state white light-emitting diodes. Although there have been numerous studies examining the effects of Ce concentrations on the luminescent properties of Y 3-x Ce x Al 5 O 12 , the impacts of Ce dopant on the elastic and thermodynamic properties are not well understood. In this work, we used resonant ultrasound spectroscopy (RUS) to determine the effects of Ce doping (0.025, 0.1, 1 at. %) on the elastic and thermodynamic properties of Y 3-x Ce x Al 5 O 12 . The elastic moduli calculated via the Voigt–Reuss–Hill (VRH) method demonstrated that low Ce dopant concentrations (≤0.1 at. %) induced negligible effects on the elasticity of the YAG host matrix, while a high Ce concentration (1 at. %) yielded significant softening. RUS spectral analysis and SEM images suggested that the elastic softening originated from microstructural differences induced at higher Ce dopant concentrations. Additionally, we demonstrated an increase in elastic anisotropy at higher Ce concentrations, which further elucidated the correlations between structure and elasticity of Y 3-x Ce x Al 5 O 12 . Debye temperatures ($θ_D$), heat capacities ($C_p$), and thermal conductivities ($\mathit{κ}$) were calculated for Ce:YAGs through the relations of RUS-derived parameters (sound velocities, elastic moduli) and previously determined thermal expansion coefficients. Ce:YAG was found to have a significant reduction in $θ_D$, Cp, and $\mathit{κ}$ at Ce concentrations ≥1 at. %. Lastly, extrapolation of $C_p$ and $\mathit{κ}$ to higher temperatures allowed the modeling of thermal stress experienced by Y 3-x Ce x Al 5 O 12 disks up to 1073.15 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-entropy boride–carbide ceramics by sequential boro/carbothermal synthesis

We report a dual-phase high-entropy boride/carbide ceramic with fine grain size was synthesized by a sequential boro/carbothermal process. In the first step, a Hf-Nb-Ta-Ti-Zr-containing carbide was synthesized by carbothermal reduction of oxides followed by reaction of the carbide with B4C and ZrH2 to convert part of the carbide to boride. The resulting composition was ~29 vol% high-entropy boride with an average grain size of ~1.1 µm. Solid solution formation occurred at the densification temperature of 1900°C resulting in a relative density higher than 99%. The Vickers’ hardness was 26.5 ± 1.4 GPa. This is the first report of synthesizing dual-phase boride-carbide high-entropy ceramics from carbothermally synthesized, high-entropy carbide powders.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reducing the aerosol forcing uncertainty using observational constraints on warm rain processes

Global climate models (GCMs) disagree with other lines of evidence on the rapid adjustments of cloud cover and liquid water path to anthropogenic aerosols. Attempts to use observations to constrain the parameterizations of cloud processes in GCMs have failed to reduce the disagreement. We propose using observations sensitive to the relevant cloud processes rather than only to the atmospheric state and focusing on process realism in the absence of aerosol perturbations in addition to the process susceptibility to aerosols. We show that process-sensitive observations of precipitation can reduce the uncertainty on GCM estimates of rapid cloud adjustments to aerosols. The feasibility of an observational constraint depends on understanding the precipitation intensity spectrum in both observations and models and also on improving methods to compare the two.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Bioaerosols are the dominant source of warm-temperature immersion-mode INPs and drive uncertainties in INP predictability

Ice-nucleating particles (INPs) are rare atmospheric aerosols that initiate primary ice formation, but accurately simulating their concentrations and variability in large-scale climate models remains a challenge. Doing so requires both simulating major particle sources and parameterizing their ice nucleation (IN) efficiency. Validating and improving model predictions of INP concentrations requires measuring their concentrations delineated by particle type. We present a method to speciate INP concentrations into contributions from dust, sea spray aerosol (SSA), and bioaerosol. Field campaign data from Bodega Bay, California, showed that bioaerosols were the primary source of INPs between –12° and –20°C, while dust was a minor source and SSA had little impact. We found that recent parameterizations for dust and SSA accurately predicted ambient INP concentrations. However, the model did not skillfully simulate bioaerosol INPs, suggesting a need for further research to identify major factors controlling their emissions and INP efficiency for improved representation in models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A pyroxene-based quantum magnet with multiple magnetization plateaus

Pyroxenes (AMX 2 O 6 ) consisting of infinite one-dimensional edge-sharing MO 6 chains and bridging XO 4 tetrahedra are fertile ground for finding quantum materials. Thus, here, we have studied calcium cobalt germanate (CaCoGe 2 O 6 ) and calcium cobalt silicate (CaCoSi 2 O 6 ) crystals in depth. Heat capacity data show that the spins in both compounds are dominantly Ising-like, even after being manipulated by high magnetic fields. On cooling below the Néel temperatures, a sharp field–induced transition in magnetization is observed for CaCoGe 2 O 6 , while multiple magnetization plateaus beneath the full saturation moment are spotted for CaCoSi 2 O 6 . Our analysis shows that these contrasting behaviors potentially arise from the different electron configurations of germanium and silicon, in which the 3d orbitals are filled in the former but empty in the latter, enabling electron hopping. Thus, silicate tetrahedra can aid the interchain superexchange pathway between cobalt(II) ion centers, while germanate ones tend to block it during magnetization.

Science & Technology - Other Topics↗
DOE OSTI2026

Universal progression of structure and dynamics in colloidal nanocrystal gels during salt-accelerated aging

Controlling the structure and function of colloidal gels requires a detailed understanding of how the various components govern network formation and aging. In particular, molecular additives like salts are widely used to tune interparticle interactions, yet their influence on gelation pathways in complex systems such as colloidal nanocrystal gels remains inadequately understood. Here, we investigate how noncoordinating salts modulate the evolution of gels formed using chemically linked tin-doped indium oxide nanocrystals. Through combined structural, dynamic, and kinetic analyses, we demonstrate that increasing salt concentration accelerates gelation. When rescaled by salt-dependent characteristic times, the evolution collapses onto universal trajectories, revealing a time-salt superposition principle. The universality extends across length scales, suggesting a consistent salt-dependent mechanism that controls both local structuring and macroscopic network formation. This observed salt modulation of structure and dynamics provides a predictive basis for controlling the kinetics of nonequilibrium nanocrystal gel assembly, enhancing the rational design of functional nanomaterials with tunable properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surface-wave tomography of the Emeishan large igneous province (China): Magma storage system, hidden hotspot track, and its impact on the Capitanian mass extinction

Large igneous provinces (LIPs) are commonly associated with mass extinctions. However, the precise relations between LIPs and their impacts on biodiversity is enigmatic, given that they can be asynchronous. It has been proposed that the environmental impacts are primarily related to sill emplacement. Therefore, the structure of LIPs' magma storage system is critical because it dictates the occurrence and timing of mass extinction. We use surface-wave tomography to image the lithosphere under the Permian Emeishan large igneous province (ELIP) in southwestern China. We find a northeast-trending zone of high shear-wave velocity (Vs) and negative radial anisotropy (Vsv > Vsh; v and h are vertically and horizontally polarized S waves, respectively) in the crust and lithosphere. We rule out the possibilities of rifting or orogenesis to explain these seismic characteristics and interpret the seismic anomaly as a mafic-ultramafic, dike-dominated magma storage system of the ELIP. We further propose that the anomaly represents a hidden hotspot track that was emplaced before the ELIP eruption. A zone of higher velocity but less-negative radial anisotropy, on the hotspot track but to the northeast of the eruption center in the Panxi region, reflects an elevated proportion of sills emplaced at the incipient stage of the ELIP. Liberation of poisonous gases by the early sill intrusions explains why the mid-Capitanian global biota crisis preceded the peak ELIP eruption by 2–3 m.y.

58 GEOSCIENCES↗
DOE OSTI2020

Identifying the nature of the QCD transition in relativistic collision of heavy nuclei with deep learning

Using deep convolutional neural network (CNN), the nature of the QCD transition can be identified from the final-state pion spectra from hybrid model simulations of heavy-ion collisions that combines a viscous hydrodynamic model with a hadronic cascade “after-burner”. Two different types of equations of state (EoS) of the medium are used in the hydrodynamic evolution. The resulting spectra in transverse momentum and azimuthal angle are used as the input data to train the neural network to distinguish different EoS. Different scenarios for the input data are studied and compared in a systematic way. A clear hierarchy is observed in the prediction accuracy when using the event-by-event, cascade-coarse-grained and event-fine-averaged spectra as input for the network, which are about 80%, 90% and 99%, respectively. A comparison with the prediction performance by deep neural network (DNN) with only the normalized pion transverse momentum spectra is also made. High-level features of pion spectra captured by a carefully-trained neural network were found to be able to distinguish the nature of the QCD transition even in a simulation scenario which is close to the experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗