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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 sources NASA NTRS DOE OSTI

DOE OSTI2020

Two-dimensional simulations of internal gravity waves in the radiation zones of intermediate-mass stars

Intermediate-mass main-sequence stars have large radiative envelopes overlying convective cores. This configuration allows internal gravity waves (IGWs) generated at the convective–radiative interface to propagate towards the stellar surface. The signatures of these waves can be observed in the photometric and spectroscopic data from stars. Here, we have studied the propagation of these IGWs using two-dimensional (2D) fully non-linear hydrodynamical simulations with realistic stellar reference states from the 1D stellar evolution code, Modules for Stellar Astrophysics (MESA). When a single wave is forced, we observe wave self-interaction. When two waves are forced, we observe non-linear interaction (i.e. triadic interaction) between these waves forming waves at different wavelengths and frequencies. When a spectrum of waves similar to that found in numerical simulations is forced, we find that the surface IGW frequency slope is consistent with recent observations. This power law is similar to that predicted by linear theory for the wave propagation, with small deviations that can be an effect of non-linearities. When the same generation spectrum is applied to 3 M ⊙ models at different stellar rotation and ages, the surface IGW spectrum slope is very similar to the generation spectrum slope.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Wave ripples formed in ancient, ice-free lakes in Gale crater, Mars

Symmetrical wave ripples identified with NASA’s Curiosity rover in ancient lake deposits at Gale crater provide a key paleoclimate constraint for early Mars: At the time of ripple formation, climate conditions must have supported ice-free liquid water on the surface of Mars. These features are the most definitive examples of wave ripples on another planet. The ripples occur in two stratigraphic intervals within the orbitally defined Layered Sulfate Unit: a thin but laterally extensive unit at the base of the Amapari member of the Mirador formation, and a sandstone lens within the Contigo member of the Mirador formation. In both locations, the ripples have an average wavelength of ~4.5 centimeters. Internal laminae and ripple morphology show an architecture common in wave-influenced environments where wind-generated surface gravity waves mobilize bottom sediment in oscillatory flows. Their presence suggests formation in a shallow-water (<2 meters) setting that was open to the atmosphere, which requires atmospheric conditions that allow stable surface water.

Science & Technology - Other Topics↗

DOE OSTI2019

Distinct Superconducting Gap on Two Bilayer-Split Fermi Surface Sheets in Bi 2 Sr 2 CaCu 2 O 8+ δ Superconductor

High resolution laser-based angle-resolved photoemission measurements are carried out on an overdoped superconductor Bi 2 Sr 2 CaCu 2 O 8+ δ with a T c of 75 K. Two Fermi surface sheets caused by bilayer splitting are clearly identified with rather different doping levels: the bonding sheet corresponds to a doping level of 0.14, which is slightly underdoped while the antibonding sheet has a doping of 0.27 that is heavily overdoped, giving an overall doping level of 0.20 for the sample. Different superconducting gap sizes on the two Fermi surface sheets are revealed. The superconducting gap on the antibonding Fermi surface sheet follows a standard d-wave form while it deviates from the standard d-wave form for the bonding Fermi surface sheet. The maximum gap difference between the two Fermi surface sheets near the antinodal region is ~2 meV. Furthermore, these observations provide important information for studying the relationship between the Fermi surface topology and superconductivity, and the layer-dependent superconductivity in high temperature cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Future Projections of the Large-Scale Meteorology Associated with California Heat Waves in CMIP5 Models

Previous work showed that climate models capture historical large-scale meteorological patterns (LSMPs) associated with California Central Valley heat waves including both ways these heat waves form. This work examines what models predict under the Representative Concentration Pathway (RCP) 4.5 and RCP8.5 scenarios. Model performance varies, so a multimodel average weights each model based on its historical performance in four parameters. An LSMP index (LSMPi) defined using upper atmosphere variables captures dates of past extreme surface temperature maxima. LSMPi correlates well with all values of California Central Valley-average surface maximum temperature. LSMPi distributions in future simulations shift ~0.6 standard deviations higher between 1961–2000 and 2061–2100 for RCP8.5 data. Based on the historical climatology, future scenarios show a large increase in the frequency and duration of heat waves in every model. Four times as many heat waves occur and their median duration doubles, using historical thresholds. Of the two ways heat waves form, Type 1 has similar frequency in the future. But, Type 2 becomes much more common because Type 2 has a preexisting hot anomaly in Southwestern Canada, much like the historical to future climatological change in that region (a “global warming” signal). The 20-year return value anomaly increases by 30–40%. The average of the 50 hottest temperatures increases 3.5–6 K depending on the scenario. When extreme values are defined using the future climatology, the models and their average have no consistent increase or decrease of distribution properties such as shape, scale, and return values of the extremes compared to historical values.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Ultrasonic Piezoelectric Atomizers: Electromechanical Modeling and Performance Testing

Ultrasonic atomization of bulk liquids has received extensive attention in the past few decades due to the ability to produce controlled droplet sizes, a necessity for many industries such as spray coating and aerosol drug delivery. Despite the increase in attention, one novel application of this technology has been overlooked until recently, and that is the moisture removal capabilities of atomization. The first ever ultrasonic dryer, created by researchers at Oak Ridge National Lab in 2016, applies the mechanisms of atomization to mechanically remove moisture from clothing. The process utilizes the ultrasonic vibrations created by a piezoelectric transducer in direct contact with a wet fabric to rupture the liquid-vapor boundary of the retained water. Once ruptured, smaller droplets are ejected from the bulk liquid and are actively removed from the fabric pores. The mechanisms of droplet ejection from this event are related to both capillary waves forming on the liquid surface (Capillary Wave Theory), as well as the implosion of cavitation bubbles formed from the hydraulic shocks propagating from the transducer (Cavitation Theory). In this work, we present an analytical model for predicting the moisture removal rate of a wet fabric exposed to ultrasonic vibrations, and connect the atomization events to a global variable, acceleration, in order to decouple the nondeterministic relationship between the transducer and applied voltage. The acceleration governing atomization is predicted using a verified numerical model. The numerical model is shown to assist in developing ultrasonic drying by means of efficiently evaluating transducer design changes.

Dupuis, Eric D.↗

DOE OSTI2023

Skyrmion‐Excited Spin‐Wave Fractal Networks

Magnetic skyrmions exhibit unique, technologically relevant pseudo-particle behaviors which arise from their topological protection, including well-defined, 3D dynamic modes that occur at microwave frequencies. During dynamic excitation, spin waves are ejected into the interstitial regions between skyrmions, creating the magnetic equivalent of a turbulent sea. However, since the spin waves in these systems have a well-defined length scale, and the skyrmions are on an ordered lattice, ordered structures from spin-wave interference can precipitate from the chaos. This work uses small-angle neutron scattering (SANS) to capture the dynamics in hybrid skyrmions and investigate the spin-wave structure. Performing simultaneous ferromagnetic resonance and SANS, the diffraction pattern shows a large increase in low-angle scattering intensity, which is present only in the resonance condition. This scattering pattern is best fit using a mass fractal model, which suggests the spin waves form a long-range fractal network. The fractal structure is constructed of fundamental units with a size that encodes the spin-wave emissions and are constrained by the skyrmion lattice. Furthermore, these results offer critical insights into the nanoscale dynamics of skyrmions, identify a new dynamic spin-wave fractal structure, and demonstrate SANS as a unique tool to probe high-speed dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Generation of high-intensity ultrasound through shock propagation in liquid jets

We investigated the generation and propagation of ultrasonic pressure waves produced by focused x-ray free-electron laser pulses in 14 to 30 μm diameter liquid water microjets. The pressure waves formed through reflections, at the surface of the microjets, of the initial shock launched in the liquid by the x-ray pulse. These waves developed a characteristic geometric pattern which is related to, but different from, the shock structures of supersonic gas jets. Fully developed waves had initial peak pressures ranging from less than –24 MPa to approximately 100 MPa, which exceed the compressive and tensile strengths of many materials, and correspond to extreme sound intensities on the order of 1 GW/m 2 and sound pressure levels above 270 dB (re: 1 μ Pa). The amplitudes and intensities were limited by the wave destroying its own propagation medium though cavitation, and therefore these ultrasonic waves in jets are one of the most intense propagating sounds that can be generated in liquid water. The pressure of the initial shock decayed exponentially, more rapidly in thinner jets, and the decay length was proportional to the jet diameter within the accuracy of measurements. Extrapolating our results to thinner jets, we find that the pressure waves may damage protein crystals carried by liquid jets in x-ray laser crystallography experiments conducted at megahertz repetition rates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Fragility of Charge Order Near an Antiferromagnetic Quantum Critical Point

Here, we investigate the interplay between charge order and superconductivity near an antiferromagnetic quantum critical point using sign-problem-free Quantum Monte Carlo simulations. We establish that, when the electronic dispersion is particle-hole symmetric, the system has an emergent SU(2) symmetry that implies a degeneracy between d -wave superconductivity and charge order with d -wave form factor. Deviations from particle-hole symmetry, however, rapidly lift this degeneracy, despite the fact that the SU(2) symmetry is preserved at low energies. As a result, we find a strong suppression of charge order caused by the competing, leading superconducting instability. Across the antiferromagnetic phase transition, we also observe a shift in the charge order wave vector from diagonal to axial. We discuss the implications of our results to the universal phase diagram of antiferromagnetic quantum-critical metals and to the elucidation of the charge order experimentally observed in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Dependence of wind-farm-induced gravity waves and wind farm performance on non-dimensional atmospheric parameters and simulation configuration

This large-eddy simulation (LES) study examines how wind-farm-induced atmospheric gravity waves (AGWs) and wind farm performance depend on non-dimensional atmospheric parameters and simulation configuration. A hypothetical aligned wind farm of actuator disks is simulated under neutral surface conditions, with a stable capping inversion and a mildly stable free atmosphere, to assess the effects of stratification beyond the atmospheric boundary layer (ABL) on ABL flow. Simulation set-ups fully resolving AGWs are validated to minimize spurious wave generation and reflection from the domain boundaries. The validated set-up is then used to analyze AGW types and characteristics, as well as stratification impacts under conventionally neutral boundary layer (CNBL) conditions. These conditions are governed by four non-dimensional parameters: the Froude numbers of the free atmosphere and capping inversion (Fr, Fr i ), and the aspect ratios of the ABL and wind farm (H̃ i , S h ). Simulation configurations that fully resolve AGWs – capturing at least one wavelength both horizontally and vertically – yield the most realistic stratification effects on ABL flow, whereas partial or unresolved configurations produce non-physical, channel-like behavior. A coherent description of the AGW phenomena is provided, highlighting the central role of capping inversion displacement in linking ABL fluctuations with AGWs. Trapped waves are confined within the capping inversion, while interfacial and internal waves aloft are identified as the AGW types most relevant to wind farm performance. The wavy inversion, analogous to an interfacial wave, forms converging and diverging zones that drive power fluctuations across the farm. The interfacial wavelength, measured over the wind farm, corresponds to one diverging, one converging, and one mildly diverging zone. As the interfacial wavelength decreases with Fr i , multiple convergence–divergence zones develop under sub-critical conditions (Fr i <1.0), while for super-critical conditions (Fr i > 1.0), the wavelength approaches the farm length. Wave amplitude increases with decreasing H̃ i (i.e., shallower capping inversions). Wind farm performance is most sensitive to H̃ i : shallow boundary layers increase blockage and reduce efficiency, while deeper layers enhance efficiency. Increasing Fr and Fr i mitigates blockage, and increasing S h mainly improves wake recovery. Although local power fluctuations arise from AGWs, overall wind farm efficiency remains nearly constant with Fr and Fr i , improving primarily with larger H̃ i and S h .

17 WIND ENERGY↗

DOE OSTI2021

Density evolution after shock release from laser-driven polystyrene (CH) targets in inertial confinement fusion

The evolution of the plasma density in the rarefaction wave formed after a laser-driven shock is released from a CH foil was measured using optical interferometry. Here, it was found that the plasma density profile is very sensitive to the conditions at the back surface of the foil before the shock release. Dedicated experiments demonstrated that radiation preheat by coronal x-rays caused early expansion of the back surface and faster expansion of the rarefaction wave. Radiation-hydrodynamics simulations with accurate modeling of radiation preheat from the plasma corona are in good agreement with the experimental results. The early expansion of material interfaces due to coronal x-ray preheat must be evaluated in designing and interpreting laser-driven inertial confinement fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Numerical simulation of evaporating wavy falling liquid films in laminar gas streams

Numerical simulations are performed to investigate the interfacial heat and mass transfer from evaporating wavy falling liquid films in interaction with laminar gas streams. The OpenFOAM solver has been used to conduct the simulations where the liquid-gas interface is resolved using the Volume of Fluid method of solving for three phases, i.e., liquid, vapor, and air. The configuration considered is a falling liquid (water) film on a heated vertical plate with a confined laminar moist air (gas) flow that is either (a) co-current or (b) counter-current to the downward liquid flow. The evaporation at the liquid-gas interface is driven by the interfacial gradient of the vapor mass fraction. Interfacial waves are triggered using a monochromatic forcing disturbance that leads to sinusoidal or solitary waves forming at the liquid-gas interface under respective forcing frequencies. Further, the numerical model is validated with the available experimental data. The results show nearly a 15% enhancement in time-averaged Sherwood number (Sh) due to film waviness (sinusoidal or solitary) at the lower volumetric gas flow rate, Q g = +50 (co-current) and Q g = -50 (counter-current). This enhancement in the Sh for both the waves further increases by 11% with Q g = +800 and 196% with Q g = -800. A closer examination of the mass transfer process over a wave demonstrates that with Q g = +50, the concentration of the gas side streamlines at the trough locations of the wave leads to higher values of Sh at these locations. However, with Q g = +800, although the overall Sh increases, vortices appear at the wave trough locations, leading to a corresponding decrease in the local Sh values. Correlations are proposed for predicting Sh under co-current and counter-current gas flow effects.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Fast ion transport by sawtooth instability in the presence of ICRF-NBI synergy in JET plasmas

JET experiments have shown that the three-ion scenarios using waves in the ion cyclotron range of frequencies (ICRF) is an efficient way to build fast ion population through beam ion acceleration by radio frequency (RF) waves. Here, such a heating scheme is applied to plasmas with at least two thermal ion species. Analysis of mixed discharges with complex heating schemes requires a workflow that allows to model thermal and fast ion transport consistently. This paper is dedicated to modelling of a mixed plasma discharge with significant fraction of fast ions and contributes to development of fast ion transport models. For interpretive analysis with the TRANSP code a JET hydrogen-deuterium (HD) plasma discharge with neutral beam injection (NBI) and ICRF heating has been chosen. The task is complicated by NBI-ICRF synergy and plasma magnetohydrodynamic activity, like sawtooth crashes. D beam ions accelerated by RF waves form a high energy tail in fast ion distribution. Significant difference between the neutron rate computed by TRANSP and measured one is observed if the same diffusivity for electrons and ions is assumed. Sensitivity studies show that uncertainties in input plasma parameters and thermal ion transport models are crucial for modelling mixed plasma discharges and increased D transport is required to reach the plasma composition consistent with diagnostic measurements at the plasma edge. Fast ion redistribution by a sawtooth instability is characterised by non-resonant transport due to reconnection of magnetic field lines and resonant transport caused by resonance interaction between the instability and fast ions. With ORBIT simulations it has been shown that resonant interaction strongly affects fast ions of high energies, like beam ions accelerated by RF waves and fusion products. For the considered case, fast ion profiles simulated by ORBIT remain peaked after the sawtooth crashes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Isotopically resolved neutron total cross sections at intermediate energies

The neutron total cross sections σ tot of 16,18 O, 58 64 Ni, 103 Rh, and 112,124 Sn have been measured at the Los Alamos Neutron Science Center from low to intermediate energies (3 ≤ E lab ≤ 450 MeV) by leveraging wave-form-digitizer technology. The σ tot relative differences between isotopes are presented, revealing additional information about the isovector components needed for an accurate optical-model description away from stability. Digitizer-enabled σ tot -measurement techniques are discussed and a series of uncertainty-quantified dispersive optical model (DOM) analyses using these new data is presented, validating the use of the DOM for modeling light systems ( 16,18 O) and systems with open neutron shells ( 58,64 Ni and 112,124 Sn). Here, the valence-nucleon spectroscopic factors extracted for each isotope reaffirm the usefulness of high-energy proton reaction cross sections for characterizing depletion from the mean-field expectation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Analysis of Acoustic Emission Propagation in Metal-to-Metal Adhesively Bonded Joints

Acoustic emission (AE) monitoring shows promise as one of the most effective methods for condition monitoring of adhesively-bonded joints. Previous research has demonstrated its ability to detect, locate and classify adhesive joint failure, though in these studies little attention appears to have been paid to the differences in AE wave propagation through the bonded and un-bonded sections of the specimens tested, or to the effects of the wave modes excited or the propagation distances. This paper details an experimental study conducted on large aluminium sheet specimens to identify the effects of the presence of an adhesive layer on AE wave propagation. Three specimens are considered; a single aluminium sheet, two aluminium sheets placed together without adhesive, and an adhesively-bonded specimen. A pencil lead break (PLB) is used as a simulated AE source, and is applied to the three specimens at varying propagation distances and orientations. The acquired signals are processed using wavelet-transforms to explore time-frequency features, and compared with modified group-velocity curves based on the Rayleigh–Lamb equations to allow identification of wave-modes and edge-reflections. The effects of propagation distance and source orientation are investigated while comparison is made between the three specimens. It is concluded that while the wave propagation modes can be approximated as being constant throughout all three specimens, there is a significant change in the received waveforms due to the attenuation of high-frequency components exhibited by the bonded specimen. These findings may be utilised to provide a deeper understanding of acquired AE data, improving the current abilities to identify, locate and characterise damage mechanisms occurring within adhesive joints, ultimately improving safety in the use of adhesive bonding for critical applications.

42 ENGINEERING↗

DOE OSTI2021

Active magnetic regenerative cooling with smaller magnets

Magnetocaloric heat pumping near room temperature, a.k.a. magnetic cooling, relies on the active regenerator cycle to achieve functional temperature spans and realize economic and societal benefits promised by this emerging solid-state cooling technology. The cycle itself depends upon synchronizing oscillating flow of a heat transfer fluid through a solid porous active material matrix, or the refrigerant, with periods when the refrigerant is in the highest available (field-on) and in nearly zero (field-off) magnetic fields to accomplish heat transfer. With this in mind, in this work we analyze varying flow and magnetic field wave forms and the timing between when the fluid is pumped and when the magnetic field is turned on and off. We demonstrate that the volume and the cost of permanent magnet generating the field changes can be cut nearly in half with little to no effect on the device temperature span and cooling power normalized by the refrigerant mass.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems

While multiconfigurational approaches have long been relegated to expert practitioners working on a case-by-case basis, recent developments have increasingly made these methods more routine and applicable to broader sets of systems. This article outlines the state-of-the-art in multiconfigurational approaches, with an emphasis on moving from delicate hand-selected pathways through configuration space toward more robust and efficient approaches to treating a host of challenging chemical systems accurately. First, we overview recent work in automated active-space selection, which has enabled increasingly large-scale applications of multireference methods to modeling vertical excitations and reactivity. Second, we highlight the increasingly efficient methods for recovering correlation energy beyond the active space, as headlined by extensions of pair-density functional theory and its role in accurate and efficient treatment of excited-state dynamics and its utilization to train machine-learned potentials. Finally, we highlight recent efforts to treat extended systems that until recently have lied beyond the traditional limits of active-space methods, giving center stage to product-form wave functions of the localized active space family of methods that allow for the computation of multiconfigurational band structures. These recent advancements point to a broader use of multireference approaches for high-impact chemical and materials science applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Direct nano-imaging of light-matter interactions in nanoscale excitonic emitters

Strong light-matter interactions in localized nano-emitters placed near metallic mirrors have been widely reported via spectroscopic studies in the optical far-field. Here, we report a near-field nano-spectroscopic study of localized nanoscale emitters on a flat Au substrate. Using quasi 2-dimensional CdSe/Cd x Zn 1-x S nanoplatelets, we observe directional propagation on the Au substrate of surface plasmon polaritons launched from the excitons of the nanoplatelets as wave-like fringe patterns in the near-field photoluminescence maps. These fringe patterns were confirmed via extensive electromagnetic wave simulations to be standing-waves formed between the tip and the edge-up assembled nano-emitters on the substrate plane. We further report that both light confinement and in-plane emission can be engineered by tuning the surrounding dielectric environment of the nanoplatelets. Our results lead to renewed understanding of in-plane, near-field electromagnetic signal transduction from the localized nano-emitters with profound implications in nano and quantum photonics as well as resonant optoelectronics.

42 ENGINEERING↗

DOE OSTI2025

Bridging the gap between molecules and materials in quantum chemistry with localized active spaces

The number of materials that “bridge the gap” between single molecules and extended solids, such as metal-organic frameworks and organic semiconductors, has been increasing. Consequently, there is a growing need for modeling approaches that effectively integrate the real-space molecular perspective employed by computational chemists and the reciprocal-space dispersive perspective employed by computational physicists. Here, we propose the localized active space (LAS) approach as a promising method to successfully bridge this gap. The LAS approach extends the active space concept from multiconfigurational methods such as complete active space self-consistent field theory to multiple molecular fragments via a product-form wave function ansatz. Here, we apply this method to solid state phenomena by treating each unit cell as a fragment with different sets of local quantum numbers (e.g., charge and excitation number). State interaction between these LAS states (LASSI) thus provides a comprehensive basis for the study of charge and energy transfer, meeting and surpassing the capabilities of single-reference fragmentation approaches such as constrained density functional theory (cDFT). Most centrally, we show how combining this LASSI approach with multiconfigurational pair-density functional theory (MC-PDFT) provides an elegant and efficient method to compute band structures that capture multiconfigurational character. We apply the LASSI band structure approach to the computation of band gaps in stretched hydrogen chain, polyacetylene, and bulk nickel oxide (NiO), finding good or excellent quantitative agreement with reference values in all cases. Additionally, we use the LAS basis in one-dimensional model systems to demonstrate its ability to treat difficult solid-state phenomena such as exciton transfer and excitation at p-n junctions.

method development↗