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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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148 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Collective excitations and low-energy ionization signatures of relativistic particles in silicon detectors

Abstract Solid-state detectors with a low energy threshold have several applications, including searches of non-relativistic halo dark-matter particles with sub-GeV masses. When searching for relativistic, beyond-the-Standard-Model particles with enhanced cross sections for small energy transfers, a small detector with a low energy threshold may have better sensitivity than a larger detector with a higher energy threshold. In this paper, we calculate the low-energy ionization spectrum from high-velocity particles scattering in a dielectric material. We consider the full material response including the excitation of bulk plasmons. We generalize the energy-loss function to relativistic kinematics, and benchmark existing tools used for halo dark-matter scattering against electron energy-loss spectroscopy data. Compared to calculations commonly used in the literature, such as the Photo-Absorption-Ionization model or the free-electron model, including collective effects shifts the recoil ionization spectrum towards higher energies, typically peaking around 4–6 electron-hole pairs. We apply our results to the three benchmark examples: millicharged particles produced in a beam, neutrinos with a magnetic dipole moment produced in a reactor, and upscattered dark-matter particles. Our results show that the proper inclusion of collective effects typically enhances a detector’s sensitivity to these particles, since detector backgrounds, such as dark counts, peak at lower energies.

Physics↗
NASA NTRS2026

The Canadian Galactic Emission Mapper: A New 8-10 GHz Telescope To Map the Polarization of the Northern Sky

The Canadian Galactic Emission Mapper (CGEM) radio telescope is mapping polarized Galactic foregrounds from 8-10 GHz to aid in the search for B-modes in the Cosmic Microwave Background (CMB). Here we describe the design and early on-sky characterization of the CGEM optics. CGEM employs an on-axis, hat feed optical design that is a body of revolution (BOR) and exhibits excellent intrinsic polarization purity. We describe how we have optimized the optics with a novel framework that can directly minimize simulated intensity to polarized intensity (T → P) leakage in angular power spectrum space. The optimized optics exhibit simulated T → P leakage that is orders of magnitude below anticipated CℓBB for r = 10 −3 when scaled from 8-10 GHz to the CMB observing window near 95 GHz. We go on to describe the mechanical design of the optics, including a novel secondary mirror support made from Astroquartz composite that has low loss, low dielectric constant, and preserves the BOR symmetry of the optics. We then showcase the early on-sky performance of the optics with observations of the Sun and satellites, which probe the beam to 40dB down from the peak. A beam model for the deployed CGEM optics based on electromagnetic simulations is in excellent agreement with the on-sky data.

cosmic microwave background↗
DOE OSTI2026

Polarized target nuclear magnetic resonance measurements with deep neural networks

Continuous-wave Nuclear Magnetic Resonance (CW-NMR) operated in constant-current mode has served as a foundational technique for polarization measurement in solid-state dynamically polarized targets within nuclear and high-energy physics experiments for several decades, and it remains an essential tool. Conventional Q-meter-based phase-sensitive detection is critical for precise real-time determination of target polarization during scattering runs. However, the accuracy and reliability of these measurements are frequently compromised by elevated noise levels, baseline drift, and systematic uncertainties arising from signal isolation and fitting, ultimately degrading the overall experimental figure of merit. In this work, we report the first successful application of neural network architectures to continuous-wave NMR polarization metrology. By leveraging advanced machine learning techniques for signal extraction and denoising, we achieve a substantial reduction of fitting uncertainties under a variety of realistic simulated and experimental conditions. These improvements translate directly into more robust real-time (online) polarization monitoring and higher precision in subsequent offline analysis. By reducing analysis-induced uncertainty, the resulting methodology can improve the effective figure of merit for scattering experiments employing dynamically polarized targets and provides a new toolset for NMR-based polarimetry in high-energy and nuclear physics.

Metrology↗
DOE OSTI2024

Resonant Metasurfaces with Van Der Waals Hyperbolic Nanoantennas and Extreme Light Confinement

This work reports on a metasurface based on optical nanoantennas made of van der Waals material hexagonal boron nitride. The optical nanoantenna made of hyperbolic material was shown to support strong localized resonant modes stemming from the propagating high-k waves in the hyperbolic material. An analytical approach was used to determine the mode profile and type of cuboid nanoantenna resonances. An electric quadrupolar mode was demonstrated to be associated with a resonant magnetic response of the nanoantenna, which resembles the induction of resonant magnetic modes in high-refractive-index nanoantennas. The analytical model accurately predicts the modes of cuboid nanoantennas due to the strong boundary reflections of the high-k waves, a capability that does not extend to plasmonic or high-refractive-index nanoantennas, where the imperfect reflection and leakage of the mode from the cavity complicate the analysis. In the reported metasurface, excitations of the multipolar resonant modes are accompanied by directional scattering and a decrease in the metasurface reflectance to zero, which is manifested as the resonant Kerker effect. Van der Waals nanoantennas are envisioned to support localized resonances and can become an important functional element of metasurfaces and transdimensional photonic components. By designing efficient subwavelength scatterers with high-quality-factor resonances, this work demonstrates that this type of nanoantenna made of naturally occurring hyperbolic material is a viable substitute for plasmonic and all-dielectric nanoantennas in developing ultra-compact photonic components.

Chemistry↗
NASA NTRS2026

Incremental Learning for Passive Microwave Precipitation Retrievals using Advanced Technology Microwave Sounder

Spaceborne passive microwave (PMW) radiometry is central to global precipitation monitoring, yet retrieval uncertainties remain substantial, particularly for cross-track sounders whose variable footprints and channel configurations are optimized for atmospheric temperature and moisture profiling rather than precipitation. Consequently, existing operational products often exhibit angular-dependent biases, limited effective swath utilization, unrealistic rainfall probability distributions, and systematic misclassification of precipitation phase. These limitations are further compounded by the scarcity of globally accurate and representative precipitation observations, as training data from the Dual-frequency Precipitation Radar (DPR) and the Cloud Profiling Radar (CPR) are spatially sparse, lack uniform global coverage, and exhibit heterogeneous error characteristics across precipitation regimes. To address these challenges, this study presents a supervised retrieval algorithm that incrementally trains an ensemble of extreme gradient-boosted decision trees by augmenting base learners with pre-training on reanalysis data and post-training on coincident DPR and CPR observations matched with the Advanced Technology Microwave Sounder (ATMS). By transferring prior information from reanalysis to posterior constraints from radar observations and adopting a sequential detection–estimation strategy for precipitation phase and rate retrieval, the proposed approach yields retrievals across the full ATMS swath that are largely free from persistent deficiencies in current Global Precipitation Measurement (GPM) passive microwave operational products. In particular, the method resolves bimodal artifacts in rainfall retrievals and mitigates systematic high-latitude snowfall biases, including overestimation across the Arctic and underestimation across the Antarctic. Validation against independent Multi-Radar Multi-Sensor (MRMS) data over the Contiguous United States (CONUS) further demonstrates improved performance in precipitation phase detection and rate estimation relative to both reanalysis and current GPM PMW products.

Mahyar Garshasbi↗
NASA NTRSDate not supplied

Expanding the Horizons of Polymer Aerogels

As the Space Community endeavors to reach new heights of human exploration, materials for extreme environments are at the forefront of research. One class of materials of particular focus are polymer aerogels; lightweight solids with nanoscale pore size, high internal surface area, and extremely high porosities. These interesting properties allow aerogels to act as superior thermal insulators, IR scattering filters, sensor platforms, and vibro-acoustic mitigating materials. Polymer aerogels also have the potential to combat issues found in lunar environments such as dust and radiation mitigation. Herein, past and present research, synthesis, and applications of polymer aerogels will be discussed.

Stephanie L Vivod↗
DOE OSTI2024

Recent Progress in the Electroweak Structure of Light Nuclei Using Quantum Monte Carlo Methods

Nuclei will play a prominent role in searches for physics beyond the Standard Model as the active material in experiments. In order to reliably interpret new physics signals, one needs an accurate model of the underlying nuclear dynamics. In this review, we discuss recent progress made with quantum Monte Carlo approaches for calculating the electroweak structure of light nuclei. We place particular emphasis on recent β decay, muon capture, neutrinoless double β decay, and electron scattering results.

Physics↗
DOE OSTI2026

Spectroscopic Demarcation of Emergent Photons and Spinons in a Dipolar-Octupolar Quantum Spin Liquid

The identification of fractionalized excitations in quantum spin liquids (QSLs) remains a central challenge in condensed matter physics. In dipolar-octupolar (DO) pyrochlores, such as Ce 2⁢ Zr 2 ⁢O 7 , the candidate 𝜋-flux quantum spin ice (QSI) state is predicted to host both gapless emergent photons and a continuum of spinons. However, resolving these modes at zero field is complicated by their spectral overlap and the presence of nonmagnetic scattering near zero energy. Here, in this study, we report neutron scattering experiments on Ce 2 ⁢Zr 2 ⁢O 7 under a magnetic field along the [1, 1, 1] direction. In contrast to previous unpolarized studies at zero field that relied on high-temperature subtraction, we use a same-temperature high-field subtraction protocol to isolate the photon and spinon modes. Leveraging the selective coupling of the magnetic field to the dipolar degrees of freedom, we demonstrate the spectroscopic demarcation of these excitations. We observe that weak fields (≈ 0.15 T) suppress the low-energy photon weight while leaving the high-energy spinon continuum robust, albeit hardened. Our results, supported by gauge mean-field theory and exact diagonalization calculations, provide strong evidence for the 𝜋-flux QSI state and introduce a powerful field-tuning protocol for investigating DO-QSLs.

Gao, Bin [Rice University, Houston, TX (United Sta↗
DOE OSTI2024

Cation valency in water-in-salt electrolytes alters the short- and long-range structure of the electrical double layer

Highly concentrated aqueous electrolytes (termed water-in-salt electrolytes, WiSEs) at solid-liquid interfaces are ubiquitous in myriad applications including biological signaling, electrosynthesis, and energy storage. This interface, known as the electrical double layer (EDL), has a different structure in WiSEs than in dilute electrolytes. Here, we investigate how divalent salts [zinc bis(trifluoromethylsulfonyl)imide, Zn(TFSI) 2 ], as well as mixtures of mono- and divalent salts [lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) mixed with Zn(TFSI) 2 ], affect the short- and long-range structure of the EDL under confinement using a multimodal combination of scattering, spectroscopy, and surface forces measurements. Raman spectroscopy of bulk electrolytes suggests that the cation is closely associated with the anion regardless of valency. Wide-angle X-ray scattering reveals that all bulk electrolytes form ion clusters; however, the clusters are suppressed with increasing concentration of the divalent ion. To probe the EDL under confinement, we use a Surface Forces Apparatus and demonstrate that the thickness of the adsorbed layer of ions at the interface grows with increasing divalent ion concentration. Multiple interfacial layers form following this adlayer; their thicknesses appear dependent on anion size, rather than cation. Importantly, all electrolytes exhibit very long electrostatic decay lengths that are insensitive to valency. It is likely that in the WiSE regime, electrostatic screening is mediated by the formation of ion clusters rather than individual well-solvated ions. This work contributes to understanding the structure and charge-neutralization mechanism in this class of electrolytes and the interfacial behavior of mixed-electrolyte systems encountered in electrochemistry and biology.

Science & Technology - Other Topics↗
DOE OSTI2026

Multilevel Conditional Disturbance Rejection Control for Satellite Attitude Tracking

Recently, the conditional disturbance rejection controller (CDRC) was proposed to improve control performance by leveraging disturbances that have beneficial effects on the system. However, it only considers disturbances acting on the state variable directly influenced by them. Although fast convergence of this state can be achieved with the CDRC, it may unintentionally affect the convergence of the output (i.e., the primary state). Here, in this article, a multilevel CDRC is proposed to enhance satellite attitude control performance by accounting for the effect of disturbances on both attitude (output) and angular velocity. The extended state observer is employed to estimate the lumped disturbance, including the modeling errors and external disturbances. Then, a backstepping-based controller with the multilevel disturbance rejection law (ML-DRL) is designed for attitude tracking. The ML-DRL is developed to improve the control performance by using a disturbance with a damping effect on both attitude and velocity. Faster convergence of attitude and velocity can be achieved by conditionally compensating for the disturbance. The stability of the proposed control method is analyzed by demonstrating that the errors are bounded as time tends to infinity. The attitude control performance of the proposed method is evaluated through numerical examples conducted using the MATLAB/Simulink Multibody tool.

Active disturbance rejection control (ADRC)↗
DOE OSTI2026

Collision Tracking in OpenMC: Methods and Applications in Neutron Noise, Neutron Imaging, Time-of-Flight, and Multiplicity Counting

We present the development and application of a collision tracking feature within the OpenMC Monte Carlo particle transport code, designed for diverse applications such as neutron spectroscopy, scatter camera system, neutron noise, and multiplicity counting simulations. This feature enables the tracking of individual particle collisions, with potential applications in nuclear nonproliferation, reactor physics, and nuclear security. Additionally, the feature holds potential for the calibration of neutron detectors, specifically in converting light output into energy deposited within the detectors. The implementation consists of a set of filters—such as reaction type, energy, cell, and material—that constrain the set of collisions that are tracked, extensions to the Python API to enable simple input specification, and support for writing either OpenMC’s native HDF5-based format or the Monte Carlo particle list format. This feature was added to the official OpenMC release in version 0.15.3. In this work, the feature will be applied to showcase scenarios such as time-of-flight simulations, scatter-camera imaging for neutron source localization, neutron-noise analysis to extract integral kinetic parameters such as the prompt decay constant α, and multiplicity counting to estimate the mass of special nuclear materials. Ultimately, this feature aims to expand the application scope of open-source Monte Carlo particle transport codes such as OpenMC.

Monte Carlo code↗
DOE OSTI2024

Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity

Abstract Understanding the lattice dynamics and heat transport physics in the lead-free halide double perovskites remains an outstanding challenge due to their lattice dynamical instability and strong anharmonicity. In this work, we investigate the microscopic mechanisms of anharmonic lattice dynamics and thermal transport in lead-free halide double perovskite Cs 2 AgBiBr 6 from first principles. We combine self-consistent phonon calculations with bubble diagram correction and a unified theory of lattice thermal transport that considers both the particle-like phonon propagation and wave-like tunnelling of phonons. An ultra-low thermal conductivity at room temperature (~0.21 Wm −1 K −1 ) is predicted with weak temperature dependence( ~ T −0.34 ), in sharp contrast to the conventional ~T −1 dependence. Particularly, the vibrational properties of Cs 2 AgBiBr 6 are featured by strong anharmonicity and wave-like tunnelling of phonons. Anharmonic phonon renormalization from both the cubic and quartic anharmonicities are found essential in precisely predicting the phase transition temperature in Cs 2 AgBiBr 6 while the negative phonon energy shifts induced by cubic anharmonicity has a significant influence on particle-like phonon propagation. Further, the contribution of the wave-like tunnelling to the total thermal conductivity surpasses that of the particle-like propagation above around 310 K, indicating the breakdown of the phonon gas picture conventionally used in the Peierls-Boltzmann Transport Equation. Importantly, further including four-phonon scatterings is required in achieving the dominance of wave-like tunnelling, as compared to the dominant particle-like propagation channel when considering only three-phonon scatterings. Our work highlights the importance of lattice anharmonicity and wave-like tunnelling of phonons in the thermal transport in lead-free halide double perovskites.

Chemistry↗
DOE OSTI2026

Topological magnons on the ferromagnetic zigzag lattice

Motivated by the experimental identification of magnetic compounds consisting of zigzag chains, we analyze the band structure topology of magnons in ferromagnets on a zigzag lattice. We account for the general lattice geometry by including spatially anisotropic Heisenberg exchange interactions and by Dzyaloshinskii-Moriya interaction on inversion asymmetric bonds. Within the linear spin-wave theory, we find two magnon branches, whose band structure topology (i.e., Chern numbers) we map out in a comprehensive phase diagram. Notably, besides topologically trivial and gapless phases, we identify topologically nontrivial phases that support chiral edge magnons. We show that these edge states are robust against elastic defect scattering.

Subramanian, Skandan [ORNL] (ORCID:000900087255487↗
DOE OSTI2024

RMCProfile7 : reverse Monte Carlo for multiphase systems

This work introduces a completely rewritten version of the programRMCProfile(version 7), big-box, reverse Monte Carlo modelling software for analysis of total scattering data. The major new feature ofRMCProfile7is the ability to refine multiple phases simultaneously, which is relevant for many current research areas such as energy materials, catalysis and engineering. Other new features include improved support for molecular potentials and rigid-body refinements, as well as multiple different data sets. An empirical resolution correction and calculation of the pair distribution function as a back-Fourier transform are now also available.RMCProfile7is freely available for download at https://rmcprofile.ornl.gov/.

Chemistry↗
DOE OSTI2024

Spectroscopy in Nanoscopic Cavities: Models and Recent Experiments

The ability of nanophotonic cavities to confine and store light to nanoscale dimensions has important implications for enhancing molecular, excitonic, phononic, and plasmonic optical responses. Spectroscopic signatures of processes that are ordinarily exceedingly weak such as pure absorption and Raman scattering have been brought to the single-particle limit of detection, while new emergent polaritonic states of optical matter have been realized through coupling material and photonic cavity degrees of freedom across a wide range of experimentally accessible interaction strengths. In this review, we discuss both optical and electron beam spectroscopies of cavity-coupled material systems in weak, strong, and ultrastrong coupling regimes, providing a theoretical basis for understanding the physics inherent to each while highlighting recent experimental advances and exciting future directions.

Chemistry↗
DOE OSTI2024

QED corrections to the thermal neutrino interaction rate

Abstract Motivated by precision computations of neutrino decoupling at MeV temperatures, we show how QED corrections to the thermal neutrino interaction rate can be related to the electron-positron spectral function as well as an effective$$\overline{\nu }\nu \gamma $$vertex. The spectral function is needed both in a timelike and in a spacelike domain, and for both of its physical polarization states (transverse and longitudinal with respect to spatial momentum). Incorporating an NLO evaluation of this spectral function, an estimate of the$$\overline{\nu }\nu \gamma $$vertex, and HTL resummation of scatterings mediated by soft Bose-enhancedt-channel photons, we compute the interaction rate as a function of the neutrino momentum and flavour. Effects on the – (0. . .2)% level are found, noticeably smaller than a previous estimate of a related quantity.

Physics↗
DOE OSTI2026

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗