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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Linking transportation agent-based model ($\mathrm{ABM}$) outputs with micro-urban social types ($\mathrm{MUSTs}$) via typology transfer for improved community relevance

The human relationship with transportation is shaped by social, economic, demographic, and urban form variables, or socio-spatial factors. The spatial dynamics of these are key to generating and interpreting outputs of transportation models that are most relevant for a community and the diverse mobility needs of its members. Here we present a typology transfer framework, grounded in socio-spatial dynamics shaping people's mobility, to take transportation-themed regional mobility model outcomes, in this case from two agent-based models (ABMs), and extrapolate them to other cities, with less time and resource intensity than new ABM development. The typology transfer process first identifies micro-urban social types (MUSTs) using socio-spatial factors, then defines city types based on spatial patterns of MUSTs to assess across which cities transfer results are likely to best hold. Lastly, a typology transfer multiplier matrix extrapolates a given variable, in our case the Mobility Energy Productivity (MEP) metric, to another city. The full process demonstration uses ABM results from Chicago (POLARIS model) and San Francisco (BEAM model), applying them to New York City. We discuss how MEP or other outputs can be appropriately estimated and used for integrated, human-centered mobility analysis. Key findings include that this MUST framework of user-defined dependent and independent variables allows tailoring ABM results and interpretations to specific community needs and data availability. Findings clarify that positive outcomes can be targeted towards user groups, based on sociospatial characteristics, using a typology approach, such as inclusive access to mobility choices, transportation affordability, and greater efficiency in resource use.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Integrating Flow Imaging Analysis and Single-Particle ICP-TOFMS for Comprehensive Micro- and Nanoplastic Characterization

Flow imaging analysis (FIA), provides composition-agnostic morphological characterization. These measurements of particle size and shape are valuable to mass-based analysis, such as single particle inductively coupled plasma time-of-flight mass spectrometry (sp-ICP-TOFMS), which provides quantitative data on elements within particles. Using these two methods together enables informed use of geometric assumptions required by sp-ICP-TOFMS, as particle mass is typically converted to a particle diameter using assumed-spherical geometry. To validate this concept, parallel measurements to determine particle diameters were performed by FIA and sp-ICP-TOFMS on four particle suspensions: 300 nm polystyrene Eu-doped nanoparticles, 1 μm Fe-rich beads, 3 μm four element calibration polystyrene beads and 5 μm polystyrene beads. The Fe-particles obtained the highest percent difference from the manufacturer’s nominal diameter, as the mean diameter obtained by FIA was overestimated by 21% and sp-ICP-TOFMS underestimated the mean diameter by 20.7%. Two types of particles were selected to test the effect of varying the particle number concentrations (PNC) on sizing accuracy, and both methods accurately sized each particle population at the PNC expected. Single particle analysis of carbon has continued to be a popular research topic, with direct applications to environmental pollutants in terms of nano- and micro- plastics. Real-world plastic particles were studied, and FIA’s measured circularity values demonstrated that the particles deviated from spherical geometries, therefore sp-ICP-TOFMS data should be interpreted as mass-based rather than size-based. Combining these techniques enables improved interpretation of particle populations and evaluation of particle sizes.

Szakas, Sarah [ORNL] (ORCID:0000000241332197)↗
DOE OSTI2025

X-ray Micro-Computed Tomography for Structural Analysis of All-Solid-State Battery at Pouch Cell Level

Characterizing the microstructure of all-solid-state batteries (ASSBs) during fabrication and operation is vital for their advancement, particularly as scaling to pouch cell levels introduces challenges in probing large-scale microstructural evolution. This work highlights the potential of synchrotron X-ray micro-computed tomography (sXCT) as a nondestructive, rapid (<30 min), and high-resolution technique for visualizing and quantifying key microstructural features, including overhang, porosity, contact loss, active surface area, and tortuosity, in all-solid-state pouch cells. The large field of view (up to millimeters) of sXCT enables detailed analysis at an industry-relevant scale, bridging the gap between laboratory research and commercial applications. Furthermore, integrating realistic sXCT-derived 3D models into multiphysics simulations could provide insights into chemo-mechanical degradation, particularly at the edges of the pouch cells, offering a pathway for designing robust, high-performance ASSBs. This perspective establishes sXCT as an indispensable tool for advancing both the understanding and the engineering of next-generation energy storage systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Laser-driven x-ray and proton micro-source and application to simultaneous single-shot bi-modal radiographic imaging

Radiographic imaging with x-rays and protons is an omnipresent tool in basic research and applications in industry, material science and medical diagnostics. The information contained in both modalities can often be valuable in principle, but difficult to access simultaneously. Laser-driven solid-density plasma-sources deliver both kinds of radiation, but mostly single modalities have been explored for applications. Their potential for bi-modal radiographic imaging has never been fully realized, due to problems in generating appropriate sources and separating image modalities. Here, we report on the generation of proton and x-ray micro-sources in laser-plasma interactions of the focused Texas Petawatt laser with solid-density, micrometer-sized tungsten needles. We apply them for bi-modal radiographic imaging of biological and technological objects in a single laser shot. Thereby, advantages of laser-driven sources could be enriched beyond their small footprint by embracing their additional unique properties, including the spectral bandwidth, small source size and multi-mode emission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Hydrodynamic spin-orbit coupling in asynchronous optically driven micro-rotors

Abstract Vortical flows of rotating particles describe interactions ranging from molecular machines to atmospheric dynamics. Yet to date, direct observation of the hydrodynamic coupling between artificial micro-rotors has been restricted by the details of the chosen drive, either through synchronization (using external magnetic fields) or confinement (using optical tweezers). Here we present a new active system that illuminates the interplay of rotation and translation in free rotors. We develop a non-tweezing circularly polarized beam that simultaneously rotates hundreds of silica-coated birefringent colloids. The particles rotate asynchronously in the optical torque field while freely diffusing in the plane. We observe that neighboring particles orbit each other with an angular velocity that depends on their spins. We derive an analytical model in the Stokes limit for pairs of spheres that quantitatively explains the observed dynamics. We then find that the geometrical nature of the low Reynolds fluid flow results in a universal hydrodynamic spin-orbit coupling. Our findings are of significance for the understanding and development of far-from-equilibrium materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Vertical full-colour micro-LEDs via 2D materials-based layer transfer

Micro-LEDs (µLEDs) have been explored for augmented and virtual reality display applications that require extremely high pixels per inch and luminance. However, conventional manufacturing processes based on the lateral assembly of red, green and blue (RGB) µLEDs have limitations in enhancing pixel density. Recent demonstrations of vertical µLED displays have attempted to address this issue by stacking freestanding RGB LED membranes and fabricating top-down, but minimization of the lateral dimensions of stacked µLEDs has been difficult. Here we report full-colour, vertically stacked µLEDs that achieve, to our knowledge, the highest array density (5,100 pixels per inch) and the smallest size (4 µm) reported to date. This is enabled by a two-dimensional materials-based layer transfer technique that allows the growth of RGB LEDs of near-submicron thickness on two-dimensional material-coated substrates via remote or van der Waals epitaxy, mechanical release and stacking of LEDs, followed by top-down fabrication. The smallest-ever stack height of around 9 µm is the key enabler for record high µLED array density. We also demonstrate vertical integration of blue µLEDs with silicon membrane transistors for active matrix operation. Furthermore, these results establish routes to creating full-colour µLED displays for augmented and virtual reality, while also offering a generalizable platform for broader classes of three-dimensional integrated devices.

42 ENGINEERING↗
DOE OSTI2021

Micro-continuum approach for mineral precipitation

Abstract Rates and extents of mineral precipitation in porous media are difficult to predict, in part because laboratory experiments are problematic. It is similarly challenging to implement numerical methods that model this process due to the need to dynamically evolve the interface of solid material. We developed a multiphase solver that implements a micro-continuum simulation approach based on the Darcy–Brinkman–Stokes equation to study mineral precipitation. We used the volume-of-fluid technique in sharp interface implementation to capture the propagation of the solid mineral surface. Additionally, we utilize an adaptive mesh refinement method to improve the resolution of near interface simulation domain dynamically. The developed solver was validated against both analytical solution and Arbitrary Lagrangian–Eulerian approach to ensure its accuracy on simulating the propagation of the solid interface. The precipitation of barite (BaSO 4 ) was chosen as a model system to test the solver using variety of simulation parameters: different geometrical constraints, flow conditions, reaction rate and ion diffusion. The growth of a single barite crystal was simulated to demonstrate the solver’s capability to capture the crystal face specific directional growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Evolution of micro-pores in Ni–Cr alloys via molten salt dealloying

Porous materials with high specific surface area, high porosity, and high electrical conductivity are promising materials for functional applications, including catalysis, sensing, and energy storage. Molten salt dealloying was recently demonstrated in microwires as an alternative method to fabricate porous structures. The method takes advantage of the selective dissolution process introduced by impurities often observed in molten salt corrosion. This work further investigates molten salt dealloying in bulk Ni–20Cr alloy in both KCl–MgCl 2 and KCl–NaCl salts at 700 °C, using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction (XRD), as well as synchrotron X-ray nano-tomography. Micro-sized pores with irregular shapes and sizes ranging from sub-micron to several microns and ligaments formed during the process, while the molten salt dealloying was found to progress several microns into the bulk materials within 1–16 h, a relatively short reaction time, enhancing the practicality of using the method for synthesis. The ligament size increased from ~ 0.7 μm to ~ 1.3 μm in KCl–MgCl 2 from 1 to 16 h due to coarsening, while remaining ~ 0.4 μm in KCl–NaCl during 16 h of exposure. The XRD analysis shows that the corrosion occurred primarily near the surface of the bulk sample, and Cr 2 O 3 was identified as a corrosion product when the reaction was conducted in an air environment (controlled amount sealed in capillaries); thus surface oxides are likely to slow the morphological coarsening rate by hindering the surface diffusion in the dealloyed structure. 3D-connected pores and grain boundary corrosion were visualized by synchrotron X-ray nano-tomography. This study provides insights into the morphological and chemical evolution of molten salt dealloying in bulk materials, with a connection to molten salt corrosion concerns in the design of next-generation nuclear and solar energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Investigating property-porosity relationships for micro-architected lattice structures

Micro-architected structures are increasingly valued for their light weight and tunable mechanical properties; this class of material includes sheet structures like the Schöen gyroid and beam lattices like the octet. For design purposes, it is critical to understand how to tune the relative density (RD) to obtain desired mechanical properties. This study investigates the mechanical response of Ti-6Al-4V gyroid structures, spanning a broad range of RDs (0.03–0.90), unit cell sizes (1–4 cm), and sheet thicknesses (0.2–7.8 mm). Results demonstrate that the classical Gibson-Ashby power law scaling between RD and modulus and yield stress does not adequately capture the response over a wide range of RDs, nor does it extrapolate correctly to the fully dense solid. Analytical models, in concert with experimental results and high-fidelity finite element calculations, show that the deviation from Gibson-Ashby reflects a transition from structure-dominated to material-dominated behavior. Distinctions are drawn between scaling relationships and property-porosity models, and an analytical model is proposed to better capture the evolution of mechanical properties with RD. These observations are mirrored in other architected topologies, like the octet, and highlight the importance of understanding the relationship between mechanical properties and geometry for design purposes.

Materials science↗
DOE OSTI2022

Design of a multi-functional gel polymer electrolyte with a 3D compact stacked polymer micro-sphere matrix for high-performance lithium metal batteries

We report lithium metal batteries (LMBs) are considered as promising high energy density batteries. However, they still suffer from poor cyclability due to the instability of solid electrolyte interphases (SEIs) and Li dendrite issues. Herein, a novel 3D densely packed multifunctional crosslinked gel polymer electrolyte (PHGPE) has been synthesized by in situ copolymerization of pentaerythritol tetraacrylate and 2-hydroxyethyl acrylate in a liquid electrolyte via a thermal initiation method. Due to intermolecular hydrogen bonding in the frameworks, the PHGPE exhibits a 3D compact-stacked and crosslinked micro-sphere structure, which benefits the construction of homogeneous Li + flux, enabling uniform Li plating/stripping and formation of robust SEIs onto the lithium electrode. Benefiting from the above advantages, symmetric Li cells in the PHGPE deliver excellent cyclabilities of 6000 h at a current density of 1 mA cm -2 (1 mA h cm -2 ) and 7700 h at 0.5 mA cm -2 (2 mA h cm -2 ). Moreover, the PHGPE has such a wide electrochemical window that it is compatible with both high-voltage LiNi 0.8 Co 0.1 Mn 0.1 O 2 and sulfur cathodes to realize long cycle life. Additionally, a LiFePO 4 based pouch size LMB also presents promising performance. Therefore, this study of the PHGPE has opened a new avenue for high-performance LMBs with excellent versatility and practicality.

25 ENERGY STORAGE↗
DOE OSTI2023

Spin dynamics of [1,2- 13 C 2 ]pyruvate hyperpolarization by parahydrogen in reversible exchange at micro Tesla fields

Hyperpolarization of 13 C-pyruvate via Signal Amplification By Reversible Exchange (SABRE) is an important recent discovery because of both the relative simplicity of hyperpolarization and the central biological relevance of pyruvate as a biomolecular probe for in vitro or in vivo studies. Here, we analyze the [1,2- 13 C 2 ]pyruvate-SABRE spin system and its field dependence theoretically and experimentally. We provide first-principles analysis of the governing 4-spin dihydride- 13 C 2 Hamiltonian and numerical spin dynamics simulations of the 7-spin dihydride- 13 C 2 –CH 3 system. Furthermore, the analytical and the numerical results are compared to matching systematic experiments. With these methods we unravel the observed spin state mixing of singlet states and triplet states at microTesla fields and we also analyze the dynamics during transfer from micro-Tesla field to high field for detection to understand the resulting spectra from the [1,2- 13 C 2 ]pyruvate-SABRE system.

13C pyruvate↗
DOE OSTI2025

Systematic improvement of redox potential calculation of Fe(III)/Fe(II) complexes using a three-layer micro-solvation model

Electrochemical transformations of metal ions in aqueous media are challenging to model accurately due to the dynamic solvation structure surrounding ions at different charge states. Predictive modeling at the atomistic scale is essential for understanding these solvation architectures but is often computationally prohibitive. In this contribution, we present a simple, fast, and accurate three-layer micro-solvation model to evaluate the redox potential of metal ions in aqueous solutions. Our model, developed and validated for Fe 3+ /Fe 2+ redox potentials, combines the DFT-based geometry optimizations of the octahedral Fe complex with two layers of explicit water molecules to capture solute–solvent interactions and an implicit solvation model to account for bulk solvent effects. This approach yields accurate predictions for Fe 3+ /Fe 2+ redox potentials in water, achieving errors of 0.02 V with ωB97X-V, 0.01 V with ωB97X-D3, 0.04 V with ωB97M-V, and 0.02 V with B3LYP-D3 functionals. We further demonstrate the generality of our model by applying it to additional metal complexes, including the challenging Fe(CN) 6 3−/4− system, where our model successfully achieves close agreement with experimental values, with an error of 0.07 V and an average error of 0.21 V for all five systems. In summary, the presented simple solvation model has broad applicability and potential for enhancing computational efficiency in redox potential predictions across various chemical and industrial processes of metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A kiloelectron-volt ultrafast electron micro-diffraction apparatus using low emittance semiconductor photocathodes

We report the design and performance of a time-resolved electron diffraction apparatus capable of producing intense bunches with simultaneously single digit micrometer probe size, long coherence length, and 200 fs rms time resolution. We measure the 5d (peak) beam brightness at the sample location in micro-diffraction mode to be 7×1013 A/m2 rad2. To generate high brightness electron bunches, the system employs high efficiency, low emittance semiconductor photocathodes driven with a wavelength near the photoemission threshold at a repetition rate up to 250 kHz. We characterize spatial, temporal, and reciprocal space resolution of the apparatus. We perform proof-of-principle measurements of ultrafast heating in single crystal Au samples and compare experimental results with simulations that account for the effects of multiple scattering.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

A comprehensive conductivity model for drift and micro-tearing modes

The parallel electrical conductivity is a crucial parameter in the study of the linear stability of drift-modes like the micro-tearing mode (MTM). The conductivity enters by closing the electromagnetic tearing layer equations. Recent progress in the understanding of the pedestal suggests that the MTM could play an important role in its structure and evolution. For this reason, we revisit and improve previous model conductivities. This parameter is generally derived from the linearized drift kinetic equation. In the past literature, it has been computed using either simplified collision operators or neglecting the spatial dependence away from the rational surface. Here, a fully consistent expression for the conductivity that would accurately model the pedestal has not been available. By applying a novel variational procedure and with the full Fokker Plank collision operator, including electron–electron collisions, we compute a closed expression for the parallel electrical conductivity in the form of a rational function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

High-resolution optical micro-spectroscopy extending from the near-infrared to the vacuum-ultraviolet

Optical characterization of small samples over a wide spectral range with rapid data acquisition is essential for the analysis of many material systems, such as 2D van der Waals layers and their heterostructures. In this paper, we present the design and implementation of a tabletop micro-spectroscopy system covering the near-infrared to the vacuum-ultraviolet (1.2 eV–6.8 eV or ~1.0 μm to 185 nm) using mostly off-the-shelf components. It can measure highly reproducible local reflectance spectra with a total integration time of a few minutes and a full-width-half-maximum spot size of 2.7 by 5.6 μm. For precise positioning, the design also allows simultaneous monitoring of the measurement location and the wide-field image of the sample. We demonstrate ultra-broadband reflectance spectra of exfoliated thin flakes of several wide-gap 2D materials, including ZnPS 3 , hexagonal BN, and Ca(OH) 2 .

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Improved wall-plug efficiency of III-nitride tunnel junction micro-light-emitting diodes with AlGaN/GaN polarization charges

The electrical performances of III-nitride blue micro-light-emitting diodes (µLEDs) with different tunnel junction (TJ) epitaxial architectures grown by metalorganic chemical vapor deposition are investigated. A new TJ structure that employs AlGaN is introduced. The current density–voltage characteristic is improved by incorporating AlGaN layer above the n-side of the TJ layer, and the effects of the AlGaN/GaN superlattices is examined. Based upon the data from band diagram simulation, net positive polarization charge is formed at the AlGaN/GaN interface, which results in a reduction in tunneling distance and increase in tunneling probability. Moreover, similar electrical improvement is observed in various device dimensions and is independent of operating current density, suggesting that AlGaN/GaN biaxial tensile strain or current spreading is not the main contribution for the improvement. Finally, the effects on the efficiency performances are determined. While the maximum external quantum efficiency of the TJ devices remains identical, the wall-plug efficiency of µLEDs is enhanced significantly by the proposed AlGaN-enhanced TJ design. This work reveals the possibility of energy efficient TJ contact with high transparency in the visible wavelength range.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ballooning theory for micro-tearing mode in tokamak

This paper aims to investigate the impact of magnetic drift on the linear micro-tearing mode by using a kinetic approach to derive a reduced two-field eigen system in real space. Here, since the magnetic drift in real space has derivatives, it is more efficient to solve the mode equations in a Fourier-ballooning representation using the two-dimensional (2D) ballooning transform. The lowest-order eigen system in the Fourier-ballooning representation consists of two integral equations, which are numerically solved using the finite difference method for both eigenvalues and wave functions. The main results will be presented through graphical eigenvalue scans for each parameter. Furthermore, we present a graphical comparison between the predictions of the ballooning theory and GENE gyrokinetic code simulation in the pedestal region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗