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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Exploring the structural uniformity and integrity of protonic ceramic thin film electrolyte using wet powder spraying

Thin protonic ceramic electrolyte contributes to lower ohmic resistance and enhances electrochemical performance of protonic ceramic electrochemical cells. However, manufacturing of large-scale thin electrolyte remains a challenge. Wet powder spraying is an attractive technique to deposit <10 µm thin electrolyte when advanced atomizing techniques and optimized spraying process are integrated. Here ultrasonic atomization is integrated in the wet powder spray technique to reduce the thickness of electrolyte. Moreover, a parametric study is conducted to optimize the wet powder spray process to deposit uniform and crack-free electrolyte film. It is illustrated that tuning of solid loading rates and spray passes can affect the morphology of the as-sprayed electrolyte film, enabling the structural compactness of the sintered electrolyte layer. To maintain chemical stability of the electrolyte layer during sintering, effect of sintering temperature is further investigated to produce a physically thin, structurally dense, and chemically homogeneous electrolyte layer. The protonic ceramic electrochemical cells fabricated with optimized spraying and sintering parameters demonstrate excellent performance under both fuel cell and electrolysis modes. In addition, the cells exhibit remarkable structural integrity during redox and long-term stability tests.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Toward accurate measurement of electromagnetic field by retrieving and refining the center position of non-uniform diffraction disks in Lorentz 4D-STEM

Recent advancement in scanning transmission electron microscopy (STEM) allows the use of 4D-STEM, a technique that captures an electron diffraction pattern at each scan point in STEM, to measure electrostatic and magnetic potential and field in materials. However, accurate measurement, separation of the magnetic and electric signals, and removal of artifacts remain challenging, especially in the presence of complex non-uniform diffraction contrast within the disks. In this work, based on dynamic simulations of 4D-STEM patterns built upon superstructures consisting of millions of atoms to account for different sample thickness and edge geometries, we show how the shape and intensity distribution of the central disk are affected by multiple scattering. We propose a robust refinement procedure through iteration of the spin-sensitive peak position of the disk-center in the circular Hough transform filtered images from experimental Lorentz 4D-STEM dataset after minimizing the possible artifacts, such as those due to the change of thickness, dynamic scattering, and scanning process. We verify that caution must be taken as in practice the rigid-disk-shift model used to reconstruct induction maps can easily break down due to disk-protrusion when there exists a nonconstant phase gradient or thickness within the width of the probe. Through quantitative analysis and comparing experiment with calculation the effect of the non-spin-related intensity distribution inside the disk as well as that causes the disk shift due to the intensity-protrusion can be removed, and high-quality magnetic field mapping is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Uniform-in-phase-space data selection with iterative normalizing flows

Improvements in computational and experimental capabilities are rapidly increasing the amount of scientific data that are routinely generated. In applications that are constrained by memory and computational intensity, excessively large datasets may hinder scientific discovery, making data reduction a critical component of data-driven methods. Datasets are growing in two directions: the number of data points and their dimensionality. Whereas dimension reduction typically aims at describing each data sample on lower-dimensional space, the focus here is on reducing the number of data points. A strategy is proposed to select data points such that they uniformly span the phase-space of the data. The algorithm proposed relies on estimating the probability map of the data and using it to construct an acceptance probability. An iterative method is used to accurately estimate the probability of the rare data points when only a small subset of the dataset is used to construct the probability map. Instead of binning the phase-space to estimate the probability map, its functional form is approximated with a normalizing flow. Therefore, the method naturally extends to high-dimensional datasets. The proposed framework is demonstrated as a viable pathway to enable data-efficient machine learning when abundant data are available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Direct Extraction of Uniform Lignin Microspheres from Bamboo Using a Polyol-Based Deep Eutectic Solvent

Conventional preparation of lignin micro-/nano-particles (LMNPs) often needs multiple steps accompanied by high cost, low efficiency, and low yield. Herein, this study established a polyhydric alcohol-based deep eutectic solvent (PA-DES) fractionation for direct LMNP assembly from raw lignocellulose. The results indicated that lignin was significantly extracted by 41.55–70.33% depending on the PA-DES varieties. With lignin removal, the substrate showed high glucan enzymatic saccharification from 70.44 to 100%. Specially, over 90% lignin could be recovered in each PA-DES, and the obtained LMNPs showed quite uniform spherical morphology with a tunable size of 550–3254 nm and narrow polydispersity index (PDI) of 0.295–0.398. The proposed DES showed a near theoretical recovery yield, which still featured excellent fractionation performance even after three cycles of reuse. In conclusion, the findings highlight the simultaneous utilization of cellulose and lignin in a one-pot biomass fractionation under mild conditions with sugars and LMNPs as the coproducts.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of the Grell-Freitas Deep Convection Scheme in Quasi-Uniform and Variable-Resolution Aquaplanet CAM Simulations

The Grell-Freitas deep convection scheme (GF) has been implemented in the Community Atmosphere Model (CAM) with the nonhydrostatic Model for Prediction Across Scales (MPAS) dynamical core. Aquaplanet simulations have been performed with a global quasi-uniform resolution mesh with ~120 km grid spacing and a variable resolution mesh employing a circular refined region with ~30 km grid spacing centering at the equator and ~120 km elsewhere. GF produces overall patterns of the general circulations comparable to those of other aquaplanet experiments, including those produced using the default Zhang-McFarlane convection scheme (ZM) in CAM Version 5.4. GF alleviates the overestimated occurrence of weak intensity precipitation characteristic of ZM due to GF’s different closure methods and deep-convection trigger conditions. Compared to ZM, the GF characteristics of the equatorial Kelvin waves are closer to observations. GF also better simulates precipitation at variable resolution, with no unrealistic wave distortion by the refinement. Overall, GF shows less sensitivity of convective precipitation and heating/moistening tendencies to changes in horizontal resolution compared to ZM. However, vertically-overlapped total cloud fraction simulated with GF in the tropics is more sensitive to the resolution than ZM due to the larger resolution-sensitivity of high-level cloud fraction in the tropics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Three‐Dimensional Magnetic Reconnection Spreading in Current Sheets of Non‐Uniform Thickness

Abstract Magnetic reconnection in naturally occurring and laboratory settings often begins locally and elongates, or spreads, in the direction perpendicular to the plane of reconnection. Previous work has largely focused on current sheets with a uniform thickness, for which the predicted spreading speed for anti‐parallel reconnection is the local speed of the current carriers. We derive a scaling theory of three‐dimensional (3D) spreading of collisionless anti‐parallel reconnection in a current sheet with its thickness varying in the out‐of‐plane direction, both for spreading from a thinner to thicker region and a thicker to thinner region. We derive an expression for calculating the time it takes for spreading to occur for a current sheet with a given profile of its thickness. A key result is that when reconnection spreads from a thinner to a thicker region, the spreading speed in the thicker region is slower than both the Alfvén speed and the speed of the local current carriers by a factor of the ratio of thin to thick current sheet thicknesses. This is important because magnetospheric and solar observations have previously measured the spreading speed to be slower than previously predicted, so the present mechanism might explain this feature. We confirm the theory via a parametric study using 3D two‐fluid numerical simulations. We use the prediction to calculate the time scale for reconnection spreading in Earth's magnetotail during geomagnetic activity. The results are also potentially important for understanding reconnection spreading in solar flares and the dayside magnetopause of Earth and other planets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Enhancing Turbulent Mixing and Microphysical Uniformity in a Tall Convection‐Cloud Chamber Through Idealized Heterogeneity of Boundaries

A large convection cloud chamber has been proposed for exploring aerosol–cloud–drizzle interactions under well‐controlled turbulent conditions. Recent theoretical and numerical studies suggest that a convection cloud chamber with two heated and two cooled sidewalls can significantly enhance the liquid water content and thus benefit drizzle initiation. However, a chamber with such a sidewall configuration develops stable stratification and extremely weak turbulence therein. In this study, we conduct large‐eddy simulations of a tall convection chamber with five different sidewall configurations consisting of alternating warm and cold patches. For each configuration, the total surface area of warm patches equals that of cold patches, resulting in the same expected cloud‐free supersaturation based on a flux budget model. Results show that changing the sidewall configuration, while keeping all other factors constant, can substantially enhance turbulent mixing and improve the uniformity of thermodynamic and cloud microphysical properties in the bulk region of the chamber. In addition, turbulence strength is positively correlated with liquid water content and negatively correlated with cloud droplet number concentration, consistent with theoretical predictions. Our results highlight the advantage of building a large cloud chamber using modular patches with individually controllable temperature and humidity to achieve well‐mixed conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dual heterogeneous structures lead to ultrahigh strength and uniform ductility in a Co-Cr-Ni medium-entropy alloy

Alloys with ultra-high strength and sufficient ductility are highly desired for modern engineering applications but difficult to develop. Here we report that, by a careful controlling alloy composition, thermomechanical process, and microstructural feature, a Co-Cr-Ni-based medium-entropy alloy (MEA) with a dual heterogeneous structure of both matrix and precipitates can be designed to provide an ultra-high tensile strength of 2.2 GPa and uniform elongation of 13% at ambient temperature, properties that are much improved over their counterparts without the heterogeneous structure. Electron microscopy characterizations reveal that the dual heterogeneous structures are composed of a heterogeneous matrix with both coarse grains (10~30 μm) and ultra-fine grains (0.5~2 μm), together with heterogeneous L1 2 -structured nanoprecipitates ranging from several to hundreds of nanometers. The heterogeneous L1 2 nanoprecipitates are fully coherent with the matrix, minimizing the elastic misfit strain of interfaces, relieving the stress concentration during deformation, and playing an active role in enhanced ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Suppressing electrolyte-lithium metal reactivity via Li + -desolvation in uniform nano-porous separator

Lithium reactivity with electrolytes leads to their continuous consumption and dendrite growth, which constitute major obstacles to harnessing the tremendous energy of lithium-metal anode in a reversible manner. Considerable attention has been focused on inhibiting dendrite via interface and electrolyte engineering, while admitting electrolyte-lithium metal reactivity as a thermodynamic inevitability. Here, we report the effective suppression of such reactivity through a nano-porous separator. Calculation assisted by diversified characterizations reveals that the separator partially desolvates Li + in confinement created by its uniform nanopores, and deactivates solvents for electrochemical reduction before Li 0 -deposition occurs. The consequence of such deactivation is realizing dendrite-free lithium-metal electrode, which even retaining its metallic lustre after long-term cycling in both Li-symmetric cell and high-voltage Li-metal battery with LiNi 0.6 Mn 0.2 Co 0.2 O 2 as cathode. The discovery that a nano-structured separator alters both bulk and interfacial behaviors of electrolytes points us toward a new direction to harness lithium-metal as the most promising anode.

25 ENERGY STORAGE↗
DOE OSTI2023

A free-standing lithium phosphorus oxynitride thin film electrolyte promotes uniformly dense lithium metal deposition with no external pressure

Lithium phosphorus oxynitride (LiPON) is an amorphous solid electrolyte that has been extensively studied over the last three decades. Despite the promise of pairing it with various electrode materials, LiPON’s rigidity and air sensitivity set limitations to understanding its intrinsic properties. We report a methodology to synthesize LiPON in a free-standing form that manifests remarkable flexibility and a Young’s modulus of ∼33 GPa. We use solid-state nuclear magnetic resonance and differential scanning calorimetry to quantitatively reveal the chemistry of the Li/LiPON interface and the presence of a well-defined LiPON glass-transition temperature of 207 °C. Combining interfacial stress and a gold seeding layer, our free-standing LiPON shows a uniformly dense deposition of lithium metal without the aid of external pressure. This free-standing LiPON film offers opportunities to study fundamental properties of LiPON for interface engineering for solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Photo-driven growth of a monolayer of platinum spherical-nanocrowns uniformly coated on a membrane toward fuel cell applications

Membrane electrode assemblies (MEAs) serve as the core units of polymer electrolyte membrane fuel cells (PEMFCs) and are regularly fabricated by painting a slurry of commercial Pt/C onto a membrane, leading to thick and disordered electrocatalyst layers (CLs). Herein, we report a photo-driven fabrication of MEAs with ultra-thin and ordered CLs by growing a monolayer of dendritic platinum spherical nanocrowns onto each side of a photocatalyst-modified membrane. This approach allows us to control the thickness and platinum loading of ordered CLs by simply varying the concentration of the platinum precursor under tungsten light irradiation. The resultant MEAs exhibit an excellent fuel cell power density of 1.01 ± 0.05 W cm –2 at a platinum loading of 53 ± 1.5 μg cm cathode –2 . Furthermore, this exceptional activity likely arises from the nanostructured platinum crowns, efficient mass transport, and uniform reaction rate in the ultrathin (59 ± 12 nm thick) and ordered CLs according to electrochemical and theoretical investigations.

25 ENERGY STORAGE↗
DOE OSTI2025

Site-specific photo-crosslinking in a double crossover DNA tile facilitated by squaraine dye aggregates: advancing thermally stable and uniform DNA nanostructures

We investigated the role of dichloro-squaraine (SQ) dye aggregates in facilitating thymine–thymine interstrand photo-crosslinking within double crossover (DX) tiles, to develop thermally stable and structurally uniform two-dimensional (2D) DNA-based nanostructures. By strategically incorporating SQ modified thymine pairs, we enabled site-selective [2 + 2] photocycloaddition under 310 nm UV light. Strong dye–dye interactions, particularly through the formation of aggregates, facilitated covalent bond formation between proximal thymines. To evaluate the impact of dye aggregation on crosslinking efficiency, ten DX tile variants with varying SQ-modified thymine positions were tested. Our results demonstrated that SQ dye aggregates significantly enhanced crosslinking, driven by precise SQ-modified thymine dimer placement within the DNA tiles. Analytical techniques, including denaturing PAGE and UV-visible spectroscopy, validated successful crosslinking in DNA tiles with multiple SQ-modified thymine pairs. This non-phototoxic method offers a potential route for creating thermally stable, homogeneous higher-order DNA–dye assemblies with potential applications in photoactive and exciton-based fields such as optoelectronics, nanoscale computing, and quantum computing. Furthermore, the insights from this study establish a foundation for further exploration of advanced DNA–dye systems, enabling the design of next-generation DNA nanostructures with enhanced functional properties.

2D DNA template↗
DOE OSTI2026

Uniformity, performance, and durability of roll-to-roll-coated iridium oxide electrolyzer catalyst layers

This work investigates the use of roll-to-roll coating methods for the production of iridium oxide catalyst layers for proton exchange membrane water electrolyzers. Catalyst layers were produced using two coating methods: slot die and gravure. By varying the solids content of the catalyst ink and coating process variables loadings between 0.08 and 0.64 mg Ir cm −2 were prepared with relatively high spatial uniformity. However, at loadings below 0.2 mg Ir cm −2 microscopy reveals voids in the catalyst layer due to similar length scales of catalyst agglomerates and overall layer thickness. Electrochemical testing shows that these voids do not impact initial membrane electrode assembly performance but lead to increased performance losses after potential cycling compared to spray coated catalyst layers.

08 HYDROGEN↗
DOE OSTI2020

Non-standing spin-waves in confined micrometer-sized ferromagnetic structures under uniform excitation

A non-standing characteristic of directly imaged spin-waves in confined micrometer-sized ultrathin Permalloy (Ni 80 Fe 20 ) structures is reported along with evidence of the possibility to alter the observed state by modifications to the sample geometry. Using micromagnetic simulations, the presence of the spin-wave modes excited in the Permalloy stripes along with the quasi-uniform modes was observed. The predicted spin-waves were imaged in direct space using time resolved scanning transmission x-ray microscopy, combined with a ferromagnetic resonance excitation scheme (STXM-FMR). STXM-FMR measurements revealed a non-standing characteristic of the spin-waves. Also, it was shown by micromagnetic simulations and confirmed using STXM-FMR results that the observed characteristic of the spin-waves can be influenced by the local magnetic fields in different sample geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Gauge-invariant perturbation expansion in powers of electric charge for the density-of-states of a network model for charged-particle motion in a uniform background magnetic flux density

An explicitly gauge-invariant expansion in powers of e/$\hbar$ times the magnetic flux density is formally obtained for the density of states [as characterized by the trace of the resolvent $\hat{G}$ = (ω-$\hat{ℎ}$)-1] of a charged particle moving on a Hermitian quantum network that is embedded in a Euclidean background that supports a uniform magnetic flux density. The explicit expressions, given here up to third order in the flux density, are also valid for the “local trace” (the trace of $\hat{P}_i\hat{G}$ , where $\hat{P}_i$ is the projector on a network node) and do not appear to have been previously given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark study

We investigate the viability of the phaseless finite-temperature auxiliary-field quantum Monte Carlo (ph-FT-AFQMC) method for ab initio systems using the uniform electron gas as a model. Through comparisons with exact results and FT coupled cluster theory, we find that ph-FT-AFQMC is sufficiently accurate at high to intermediate electronic densities. We show, both analytically and numerically, that the phaseless constraint at FT is fundamentally different from its zero-temperature counterpart (i.e., ph-ZT-AFQMC), and generally, one should not expect ph-FT-AFQMC to agree with ph-ZT-AFQMC in the low-temperature limit. With an efficient implementation, we are able to compare exchange-correlation energies to the existing results in the thermodynamic limit and find that the existing parameterizations are highly accurate. In particular, we found that ph-FT-AFQMC exchange-correlation energies are in better agreement with a known parameterization than is restricted path-integral MC in the regime of Θ ≤ 0.5 and rs ≤ 2, which highlights the strength of ph-FT-AFQMC.

Lee, Joonho (ORCID:0000000296671081)↗