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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A Finite-Time Ensemble Method for Mixed Layer Model Comparison

Here, this work evaluates the fidelity of various upper-ocean turbulence parameterizations subject to realistic monsoon forcing and presents a finite-time ensemble vector (EV) method to better manage the design and numerical principles of these parameterizations. The EV method emphasizes the dynamics of a turbulence closure multimodel ensemble and is applied to evaluate 10 different ocean surface boundary layer (OSBL) parameterizations within a single-column (SC) model against two boundary layer large-eddy simulations (LES). Both LES include realistic surface forcing, but one includes wind-driven shear turbulence only, while the other includes additional Stokes forcing through the wave-average equations that generate Langmuir turbulence. The finite-time EV framework focuses on what constitutes the local behavior of the mixed layer dynamical system and isolates the forcing and ocean state conditions where turbulence parameterizations most disagree. Identifying disagreement provides the potential to evaluate SC models comparatively against the LES. Observations collected during the 2018 monsoon onset in the Bay of Bengal provide a case study to evaluate models under realistic and variable forcing conditions. The case study results highlight two regimes where models disagree 1) during wind-driven deepening of the mixed layer and 2) under strong diurnal forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Site Disorder as a Predictor for Compositionally Complex 5RE 2 Zr 2 O 7 Ceramic Phase Stability

Here, phase formation and stability of five component compositionally complex rare earth zirconates (5RE 2 Zr 2 O 7 ) were investigated by X-ray diffraction and electron microprobe analysis. Zirconates with different rare earth compositions (LaNdSmEuDy, LaNdSmEuYb, LaNdEuErYb, LaNdDyErYb, SmEuDyYHo, LaYHoErYb, and DyYHoErYb) were synthesized at 1700°C and 2000°C by the solid-state method to investigate the effect of A-site site disorder (δ A ) on phase stability. Increased site disorder results from mixed cation occupancy with localized crystallographic strain and bond disorder. Compositions LaNdSmEuDy (δ A = 4.6) and LaNdSmEuYb (δ A = 6.0) produced a single pyrochlore phase and compositions SmDyYHoErYb (δ A = 2.8), LaYHoErYb (δ A = 6.2), and DyYHoErYb (δ A = 1.7) produced a single fluorite phase. High δ A compositions LaNdEuErYb (δ A = 6.9) and LaNdDyErYb (δ A = 7.2) produced a pyrochlore and fluorite phase mixture at 1700°C. Single phase was obtained for the latter composition at 2000°C. Of the single phase compositions calcined at 1700°C, LaNdSmEuYb and LaYHoErYb (both with largest δ A ) showed decomposition to mixed fluorite and pyrochlore phases during lower temperature anneals, indicating entropic stabilization. Comparison with prior work shows a temperature dependence of the critical δ A for phase stability, and compositions near it are expected to be entropy stabilized.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cooling Mixed A-Site Halide Perovskites: Impact of Temperature on Optical and Structural Properties

The widespread utilization of perovskite-based photovoltaics requires probing both the structural and optical properties under extreme operating conditions to gain a holistic understanding of the material behavior under stressors. Here, in this study, we investigate the temperature-dependent behavior of mixed A-site cation lead triiodide perovskite thin films (85% methylammonium and 15% formamidinium) in the range from 300 to 20 K. Through a combination of optical and structural techniques, we find that the tetragonal-to-orthorhombic phase transition occurs at similar to 110 K for this perovskite composition, as indicated by the change in the diffraction pattern. With decreasing temperature, the quantum yield increases with a concurrent elongation of the carrier lifetimes, indicating suppression of nonradiative recombination pathways. Interestingly, in contrast to single A-site cation perovskites, an additional optical transition appears in the absorption spectrum when the phase transition is approached, which is also reflected in the emission spectrum. We propose that the splitting of the optical absorption and emission is due to local segregation of the mixed cation perovskite during the phase transition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantifying the Diversity of an Atmospheric Aerosol Population in an Arctic Oil Field on a Single‐Particle Level

As the Arctic rapidly warms, sea ice extent is decreasing and oil and gas extraction activities are expanding. Local combustion emissions affect the Arctic atmospheric aerosol chemical mixing state (the distribution of chemical species across the aerosol population), which impacts climate-relevant properties. Bulk and single-particle measurements of submicron aerosols were conducted at Oliktok Point, Alaska within the North Slope of Alaska oil fields. In this work, we quantify aerosol diversity using online single-particle mass spectrometry data (32,880 individual particles), offline single-particle microscopy data (20,912 individual particles), and online bulk aerosol mass spectrometry and aethalometer data. This method was used to derive individual particle mass fractions for both refractory and non-refractory material within distinct particle types. Single-particle, average single-particle, and bulk population diversities (D i , D α , D γ , respectively) and mixing state indices (χ) were calculated for the data set. Calculated D i values were generally low (2.2 ± 0.6), as individual particle masses were dominated by a few chemical species of interest. Aged aerosol particles (those internally mixed with nitrate and/or sulfate) exhibited higher D i values (>3) compared to recently emitted (fresh) aerosol particles. During oil field plume periods, D α values approached three due to the abundance of diesel combustion particles, which were rich in sulfate, black carbon, and organic aerosol. Overall, the submicron aerosol population within the Arctic oil fields was found to be relatively externally mixed (χ < 50%), due to the constant local emissions within oil fields combining with background aerosol and locally emitted sea spray aerosol at the coastal site.

Wu, J.↗
DOE OSTI2020

Ionization wave propagation in a He plasma jet in a controlled gas environment

Characterizing ionization wave propagation in low temperature plasma jets is critical to predicting production of reactive species and plasma–surface interactions for biomedical applications and surface functionalization. In this work, results from optical emission and laser induced fluorescence measurements of the ionization wave in a He plasma jet operating in a controlled gas environment are discussed and used for comparison with numerical modeling. Additionally, the ionization wave was observed using ICCD (Intensified Charge Coupled Device) imaging and characterized by time and spatially resolved electron density measurements using laser-collision-induced fluorescence. The plasma jet was initially characterized using pure He (nominally at 200 Torr), while varying pressure and voltage. When operating in pure He, the ionization wave broadly expands exiting the plasma tube. Increasing the operating pressure reduces the speed and isotropic expansion of the ionization wave. Furthermore, the jet operated with a humid He shroud was also studied. The humid He shroud results in the electron density increasing and having an annular profile due to the lower ionization potential of H2O compared to He and localized photoionization in the mixing region. Numerical modeling highlighted the importance of resonance radiation emitted by excited states of He, photoelectron emission from the quartz tube, and the kinetic behavior of the electrons produced by photoionization ahead of the ionization front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Imaging quantum melting in a disordered 2D Wigner solid

Two-dimensional strongly interacting electrons crystalize into a solid phase known as the Wigner crystal at low densities and form a Fermi liquid at high densities. At intermediate densities, the two-dimensional solid evolves into a strongly correlated liquid phase around a critical density. We observed this quantum melting of a disordered Wigner solid in bilayer molybdenum diselenide (MoSe2) using a noninvasive scanning tunneling microscopy imaging technique. At low densities, the Wigner solid forms nanocrystalline domains pinned by local disorder. It exhibits a quantum densification behavior with increased densities in the solid phase. Above a threshold density, the Wigner solid melts locally and enters a mixed phase in which solid and liquid regions coexist. The liquid regions expand and form a percolation network at even higher densities.

Xiang, Ziyu↗
DOE OSTI2024

Historical Subsurface Cooling in the Tropical Pacific and Its Dynamics

Abstract Understanding how the tropical Pacific responds to rising greenhouse gases in recent decades is of paramount importance given its central role in global climate systems. Extensive research has explored the long-term trends of tropical Pacific sea surface temperatures (SSTs) and the overlying atmosphere, yet the historical change in the upper ocean has received far less attention. Here, we present compelling evidence of a prominent subsurface cooling pattern along the thermocline in the central-to-eastern tropical Pacific since 1958. This subsurface cooling has been argued to be contributing to the observed cooling or lack of warming of the equatorial cold tongue SST. We further demonstrate that different mechanisms are responsible for different parts of the subsurface cooling. In the central-to-eastern equatorial Pacific and the southeastern off-equatorial Pacific, where zonal wind stress strengthens, a pronounced subsurface cooling trend emerges just above the thermocline that is closely tied to increased Ekman pumping. In the eastern equatorial Pacific where zonal wind stress weakens, the westward surface current and eastward Equatorial Undercurrent weaken as well, resulting in reduced vertical current shear and increased ocean stability, which suppresses vertical mixing and leads to local cooling. We conclude that the historical subsurface cooling is primarily linked to dynamical adjustments of ocean currents to tropical surface wind stress changes.

Jiang, Feng↗
DOE OSTI2025

American WAKE Experiment (AWAKEN) Field Campaign Report

The American WAKE experimeNt (AWAKEN) was a large-scale, international collaborative field campaign funded primarily by the U.S. Department of Energy (DOE) Wind Energy Technologies Office. Its main purpose was to gather detailed observations of wind farm-atmosphere interactions to improve understanding of wind farm physics, validate and improve simulation tools, lower uncertainties in wind farm modeling, understand environmental impacts, and ultimately reduce the cost and increase the reliability of wind energy systems. The campaign specifically focused on seven testable hypotheses that include characterizing wind turbine and wind farm wake effects, wind farm blockage, turbulent mixing, structural loading impacts, local environmental impacts, and testing wind farm control technologies. AWAKEN was a highly collaborative effort involving numerous agencies, including: DOE, through the Wind Energy Technologies Office and the Office of Science Atmospheric Radiation Measurement (ARM) User Facility, the U.S. Department of Commerce through the National Oceanic and Atmospheric Administration, many American universities, and internationally funded collaborators from Germany and Brazil.

17 WIND ENERGY↗
DOE OSTI2023

Entanglement structures in quantum field theories: Negativity cores and bound entanglement in the vacuum

Here, the many-body entanglement between two finite (size-d) disjoint vacuum regions of noninteracting lattice scalar field theory in one spatial dimension, i.e., a (d A × d B ) mixed Gaussian continuous variable system, is locally transformed into a tensor-product core of (1 A × 1 B ) mixed entangled pairs. Accessible entanglement within these core pairs exhibits an exponential hierarchy and as such identifies the structure of dominant region modes from which vacuum entanglement could be extracted into a spatially separated pair of quantum detectors. Beyond the core, the remaining modes of the halo are determined to be AB separable in isolation, as well as separable from the core. However, state preparation protocols that distribute entanglement in the form of (1 A × 1 B ) mixed core pairs are found to require additional entanglement in the halo that is obscured by classical correlations. This inaccessible (bound) halo entanglement is found to mirror the accessible entanglement, but with a step behavior as the continuum is approached. It remains possible that alternate initialization protocols that do not utilize the exponential hierarchy of core-pair entanglement may require less inaccessible entanglement. Entanglement consolidation is expected to persist in higher dimensions and may aid classical and quantum simulations of asymptotically free gauge field theories, such as quantum chromodynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Phased array-based nonlinear wave mixing technique: Application to lack-of-fusion porosity characterization in additively manufactured metals

The objective of this research is to demonstrate the effectiveness of a phased array-based nonlinear wave mixing technique to characterize internal, localized microscale damage in an additively manufactured (AM) component. By using phased arrays for the generation of the incident waves, it is possible to produce a nonlinear wave mixing scanning technique without the need for immersion or changing coupling conditions. The phased arrays can be configured to generate incident waves in multiple directions that meet the resonance conditions required for nonlinear wave mixing at a variety of internal locations. This allows for the scanning of a specimen without the removal and re-coupling of the source transducers, leading to greater scanning speed and repeatability. To demonstrate the accuracy of this phased array wave mixing approach, measurements of acoustic nonlinearity in an AM component are first made with a bulk wave second harmonic generation through thickness measurement. Next, nonlinear wave mixing measurements are made with single element transducers to confirm the sensitivity of the proposed nonlinear wave mixing approach to lack-of-fusion porosity in AM metals. Finally, phased arrays are used to highlight the effectiveness of the proposed nonlinear wave mixing technique in these same AM components.

Acoustics↗
DOE OSTI2022

Excitation Intensity- and Size-Dependent Halide Photosegregation in CsPb(I 0.5 Br 0.5 ) 3 Perovskite Nanocrystals

Although broad consensus exists that photoirradiation of mixed-halide lead perovskites leads to anion segregation, no model today fully rationalizes all aspects of this near ubiquitous phenomenon. In this work, we quantitatively compare experimental, CsPb(I 0.5 Br 0.5 ) 3 nanocrystal (NC) terminal anion photosegregation stoichiometries and excitation intensity thresholds to a band gap-based, thermodynamic model of mixed-halide perovskite photosegregation. Mixed-halide NCs offer strict tests of theory given physical sizes, which dictate local photogenerated carrier densities. We observe that mixed-anion perovskite NCs exhibit significant robustness to photosegregation, with photosegregation propensity decreasing with decreasing NC size. Observed size- and excitation intensity-dependent photosegregation data agree with model predicted size- and excitation intensity-dependent terminal halide stoichiometries. Established correspondence between experiment and theory, in turn, suggests that mixed-halide perovskite photostabilities can be predicted a priori using local gradients of (empirical) Vegard’s law expressions of composition-dependent band gaps.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Heterogeneous solute segregation suppresses strain localization in nanocrystalline Ag-Ni alloys

Solute segregation to individual grain boundaries is used by design to produce strong and stable nanocrystalline metallic alloys. Grain-boundary segregation, however, is known to cause adverse embrittlement effects from a strain-localization failure mechanism that imposes significant material limitations for structural applications. Here, using atomistic simulations, it is discovered that heterogeneous Ni segregation in nanocrystalline Ni-mixed Ag alloys dramatically shuts down localized shear bands during plastic deformation, while simultaneously increasing the tensile strength. Nanocrystalline Cu-mixed Ag metals are predicted to exhibit standard homogeneous Cu segregation and a tensile strength that saturates above a solute concentration of 8 at.% due to glass-like shear localization induced by grain boundaries. By contrast, it is found that heterogeneous Ni segregation in nanocrystalline Ag-Ni alloys forms solute-rich clusters along interfaces leading to strain delocalization at high strain and continuous strengthening at high solute concentrations up to 15 at.%. As a result, this study reveals the importance of heterogeneous versus homogeneous segregation behaviors on strain localization and points to a fundamentally new strategy to design failure-resistant nanostructured materials through grain boundary segregation engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flavoured warped axion

We consider a 5D extension of the DFSZ axion model that addresses both the axion quality and fermion mass hierarchy problems, and predicts flavour-dependent, off-diagonal axion-fermion couplings. The axion is part of a 5D complex scalar field charged under a U(1)PQ symmetry that is spontaneously broken in the bulk, and is insensitive to explicit PQ breaking on the UV boundary. Bulk Standard Model fermions interact with two Higgs doublets that can be localized on the UV boundary or propagate in the bulk to explain the fermion masses and mixings. When the Higgs doublets are localized on the UV boundary, they induce flavour diagonal couplings between the fermions and the axion. However, when the Higgs doublets propagate in the bulk, the overlap of the axion and fermion profiles generates flavour off-diagonal couplings. The effective scale of these off-diagonal couplings in both the quark and lepton sectors can be as small as 10 11 GeV, and therefore will be probed in future precision flavour experiments.

Global Symmetries↗
DOE OSTI2022

Trends in Siting of Metals in Heterometallic Nd–Yb Metal–Organic Frameworks and Molecular Crystals

Several studies suggest that metal ordering within metal–organic frameworks (MOFs) is important for understanding how MOFs behave in relevant applications; however, these siting trends can be difficult to determine experimentally. To garner insight into the energetic driving forces that may lead to nonrandom ordering within heterometallic MOFs, we employ density functional theory (DFT) calculations on several bimetallic metal–organic crystals composed of Nd and Yb metal atoms. We also investigate the metal siting trends for a newly synthesized MOF. Our DFT-based energy of mixing results suggest that Nd will likely occupy sites with greater access to electronegative atoms and that local homometallic domains within a mixed-metal Nd–Yb system are favored. We also explore the use of less computationally extensive methods such as classical force fields and cluster expansion models to understand their feasibility for large system sizes. Here, this study highlights the impact of metal ordering on the energetic stability of heterometallic MOFs and crystal structures.

energy of mixing↗
DOE OSTI2025

Noisy Approach to Intrinsically Mixed-State Topological Order

We propose a general framework for studying two-dimensional (2D) topologically ordered states subject to local correlated errors and show that the resulting mixed state can display (imTO)—topological order that is not expected to occur in the ground state of 2D local gapped Hamiltonians. Specifically, we show that decoherence, previously interpreted as anyon condensation in a doubled Hilbert space, is more naturally phrased as, and provides a physical mechanism for, “gauging out” anyons in the original Hilbert space. We find that gauging out anyons generically results in imTO, with the decohered mixed state strongly symmetric under certain anomalous 1-form symmetries. This framework lays bare a striking connection between the decohered density matrix and , which can appear as anomalous surface states of three-dimensional topological orders. Through a series of examples, we show that the decohered state can display a classical memory, encode logical qubits (i.e., exhibit a quantum memory), and even host chiral or nonmodular topological order. We argue that a partial classification of imTO is given in terms of nonmodular braided-fusion categories. Published by the American Physical Society 2025

Sohal, Ramanjit (ORCID:0000000292975715)↗
DOE OSTI2021

Vertical variation of turbulent entrainment mixing processes in marine stratocumulus clouds using high-resolution digital holography

Marine stratocumulus clouds contribute signi?cantly to the Earth’s radiation budget due to their extensive coverage and high albedo. Yet, subgrid variability in cloud properties such as aerosol concentration, droplet number and precipitation rates lead to considerable errors in global climate models. While these clouds usually have small vertical ex-tent, turbulent entrainment-mixing and precipitation can generate signi?cant variations in droplet number, size and relative dispersion with altitude. In this paper, we analyze turbulent entrainment-mixing processes and the variability in cloud microphysical properties as a function of height within a warm marine stratocumulus cloud layer over the Eastern North Atlantic. We use high resolution airborne holographic measurements and compare them with local turbulence measurements. We ?nd that entrainment-mixing is primarily inhomogeneous near cloud top leading to larger droplet sizes and homogeneous near cloud base leading to smaller droplet sizes. Further analysis of Damk¨ohler number measurements are able to explain the mixing mechanisms at di?erent cloud heights, reinforcing the importance of turbulent mixing and microphysical time scales in deter-mining cloud microphysics.

Desai, Neel↗
DOE OSTI2023

Real-time mixed reality display of dual particle radiation detector data

Radiation source localization and characterization are challenging tasks that currently require complex analyses for interpretation. Mixed reality (MR) technologies are at the verge of wide scale adoption and can assist in the visualization of complex data. Herein, we demonstrate real-time visualization of gamma ray and neutron radiation detector data in MR using the Microsoft HoloLens 2 smart glasses, significantly reducing user interpretation burden. Radiation imaging systems typically use double-scatter events of gamma rays or fast neutrons to reconstruct the incidence directional information, thus enabling source localization. The calculated images and estimated ’hot spots’ are then often displayed in 2D angular space projections on screens. By combining a state-of-the-art dual particle imaging system with HoloLens 2, we propose to display the data directly to the user via the head-mounted MR smart glasses, presenting the directional information as an overlay to the user’s 3D visual experience. We describe an open source implementation using efficient data transfer, image calculation, and 3D engine. We thereby demonstrate for the first time a real-time user experience to display fast neutron or gamma ray images from various radioactive sources set around the detector. We also introduce an alternative source search mode for situations of low event rates using a neural network and simulation based training data to provide a fast estimation of the source’s angular direction. Using MR for radiation detection provides a more intuitive perception of radioactivity and can be applied in routine radiation monitoring, education & training, emergency scenarios, or inspections.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Stressing Halide Perovskites with Light and Electric Fields

Understanding the light and electric field-induced effects underlying the local changes in optoelectronic properties in lead halide perovskites is crucial to establish a detailed structure–function relationship. Here, in this study, we use single-molecule absorption scanning tunneling microscopy (SMA-STM) to probe the local surface inhomogeneity of a mixed A-site cation/mixed halide perovskite under pulsed 532 nm photoexcitation to gain insight into the varying grain-to-grain absorption behavior at the nanoscale and reduction in the electronic bandgap under illumination. To correlate the observed changes in the absorption signal to structural ones, we utilize synchrotron X-ray STM (SX-STM) where we find that photoexcitation induces changes in the X-ray absorption spectral signatures. Lastly, using pump–probe time-resolved wide-angle X-ray scattering, we show the presence of nonthermal lattice deformations upon photoexcitation which indicate that the excited photocarriers distort the perovskite lattice, corroborating the local electronic changes observed by our STM measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗