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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 433 records · Page 24
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DOE OSTI2026

How to Minimize Faradaic Efficiency Error in Electrochemical CO 2 Reduction for Gas Products

Faradaic efficiency (FE) is an important metric for evaluating electrochemical processes, such as carbon dioxide reduction, that is often used for performance comparisons. Although the equation to calculate FE is well-known, details needed to yield accurate values are often overlooked, potentially leading to errors exceeding 100%. Avoiding any errors is crucial for drawing correct conclusions, especially during a catalysis optimization process. Factors with high potential for FE errors include incorrect mass flow rates and temperature values, imprecise gas chromatography calibrations, and uncorrected gas viscosities, while factors with less potential are also identified. In conclusion, this manuscript presents FE calculation guidelines intended for both newcomers and experts in the field of electrochemical fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bayesian Learning of Adatom Interactions from Atomically Resolved Imaging Data

Atomic structures and adatom geometries of surfaces encode information about the thermodynamics and kinetics of the processes that lead to their formation, and which can be captured by a generative physical model. In this work, we develop a workflow based on a machine-learning-based analysis of scanning tunneling microscopy images to reconstruct the atomic and adatom positions, and a Bayesian optimization procedure to minimize statistical distance between the chosen physical models and experimental observations. We optimize the parameters of a 2- and 3-parameter Ising model describing surface ordering and use the derived generative model to make predictions across the parameter space. For concentration dependence, we compare the predicted morphologies at different adatom concentrations with the dissimilar regions on the sample surfaces that serendipitously had different adatom concentrations. The proposed workflow can be used to reconstruct the thermodynamic models and associated uncertainties from the experimental observations of materials microstructures. The code used in the manuscript is available at https://github.com/saimani5/Adatom_interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Broadband Liquid Crystal Tunable Metasurfaces in the Visible: Liquid Crystal Inhomogeneities Across the Metasurface Parameter Space

Optical metasurfaces—planar nanostructured devices that can arbitrarily tailor the wavefront of light—may be reconfigured by changing their dielectric environment. The application of external stimuli to liquid crystals is a particularly promising means of tuning the optical properties of embedded metasurfaces because of liquid crystals' large and broadband optical anisotropy. However, the detailed behavior of liquid crystals immediately adjacent to the nanostructured meta-atoms elements is often overlooked, despite the optics of the device depending sensitively on this behavior (e.g., the spectral position of the meta-atom resonances). This is of increasing concern as the wavelength of operation further approaches the short-wavelength end of the visible spectrum and, therefore, the length scale of the inhomogeneities in the liquid crystal director field. In this manuscript, we undertake a fully comprehensive study, across the metasurface geometrical parameter space, of broadband (450-700 nm) all-dielectric liquid crystal tunable metasurfaces operating in the visible. Here, through combined experimental characterization, liquid crystal modeling, and optical simulations, we reveal and quantify the improved accuracy with which the optical properties of the liquid crystal tunable metasurfaces may be described, and identify the underlying physical mechanism: the three-dimensional spatial overlap of the liquid crystal director field and metasurface optical near fields in the vicinity of the meta-atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance

Classification of features in a scene typically requires conversion of the incoming photonic field into the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ × 100λ with an aperture density λ –2 achieve ~96% testing accuracy on the MNIST data set, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Polarization-Insensitive Medium-Switchable Holographic Metasurfaces

The adoption of metasurfaces has led to revolutionary advances in holography due to improved compactness, integrability, and performance. Switchable meta-holograms projecting different replay field images in a controllable manner are highly desirable. Still, existing technologies generally rely on the use of polarized light and additional optics to facilitate switching. Consequently, the potential benefits afforded through the use of metasurfaces are limited both by the system complexity and a fixed relationship between the optical input and output. In this manuscript, we demonstrate polarization-insensitive metasurfaces encoding arbitrary and independent holograms, which can be switched between by changing the refractive index of the infiltration medium while maintaining identical illumination conditions. Finally, by sidestepping the requirements for high-performance light sources, switching optics, or delicate alignment, this approach points toward ultracompact and cost-effective switchable meta-holograms for various practical applications, such as holographic image projection, eye-perceptible sensors, optical information storage, processing, and security.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Are There Opportunities To Re-Think How We Manufacture Synthetic Graphite?

This manuscript contributes a Viewpoint article to ACS Sustainable Resource Management and discusses the graphite supply chain, growing mismatch between graphite demand and global manufacturing capacity, current graphite manufacturing technologies, and different feedstocks.

alternative carbon feedstocks↗
DOE OSTI2022

Coupling Warm Rain With an Eddy Diffusivity/Mass Flux Parameterization: 2. Sensitivities and Comparison to Observations

Abstract This is the second part of the description and validation of the coupling of a warm‐rain microphysics scheme to a stochastic multi‐plume eddy‐diffusivity/mass‐flux parameterization. Part 1 provides the model description and initial validation of the parameterization in a single column model (SCM) against large eddy simulations. This manuscript provides additional comparisons against satellite observations of 500 unique simulation cases, an analysis of model parameter‐based sensitivities in those 500 cases, and an evaluation of the idealized LES case study paradigm for parameterization development. The SCM is forced by a weather reanalysis in the subtropical northeast Pacific region characterized by the stratocumulus‐to‐cumulus cloud transition. 18 scalar outputs are examined to identify the sensitivities to 22 of the model's parameters. The model is highly sensitive to parameters that determine the behavior of convective plumes, which collectively lead to the most sensitivity in 13 of the 18 outputs. Only a few parameters contribute sensitivities that are not highly correlated with those of other parameters. While forcing the model with two canonical field campaign cases results in similar picture of which parameters lead to high sensitivity in model outputs, the sensitivity magnitudes can be overestimated compared to when the model is forced by weather reanalyzes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Climate Change Signal in Atlantic Tropical Cyclones Today and Near Future

This manuscript discusses the challenges in detecting and attributing recently observed trends in the Atlantic tropical cyclone (TC) and the epistemic uncertainty we face in assessing future risk. We use synthetic storms downscaled from five CMIP5 models by the Columbia HAZard model (CHAZ), and directly simulated storms from high-resolution climate models. We examine three aspects of recent TC activity: the upward trend and multi-decadal oscillation of the annual frequency, the increase in storm wind intensity, and the decrease in forward speed. Some data sets suggest that these trends and oscillation are forced while others suggest that they can be explained by natural variability. Projections under warming climate scenarios also show a wide range of possibilities, especially for the annual frequencies, which increase or decrease depending on the choice of moisture variable used in the CHAZ model and on the choice of climate model. The uncertainties in the annual frequency lead to epistemic uncertainties in TC risk assessment. Here, we investigate the potential for reduction of these epistemic uncertainties through a statistical practice, namely likelihood analysis. We find that historical observations are more consistent with the simulations with increasing frequency than those with decreasing frequency, but we are not able to rule out the latter. We argue that the most rational way to treat epistemic uncertainty is to consider all outcomes contained in the results. In the context of risk assessment, since the results contain possible outcomes in which TC risk is increasing, this view implies that the risk is increasing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Using Financial Contracts to Facilitate Informal Leases Within a Western United States Water Market Based on Prior Appropriation

The ability to reallocate water to higher-value uses during drought is an increasingly important “soft-path” tool for managing water resources in an uncertain future. In most of the Western United States, state-level water market institutions that enable reallocation also impose substantial transaction costs on market participants related to regulatory approval and litigation. These transaction costs can be prohibitive for many participants in terms of both costs and lengthy approval periods, limiting transfers and reducing allocation efficiency, particularly during drought crises periods. This manuscript describes a mechanism to reduce transaction costs by adapting an existing form of informal leases to facilitate quicker and less expensive transfers among market participants. Instead of navigating the formal approval process to lease a water right, informal leases are financial contracts for conservation that enable more junior holders of existing rights to divert water during drought, thereby allowing the formal transfer approval process to be bypassed. The informal leasing approach is tested in the Upper Colorado River Basin, where drought and institutional barriers to transfers lead to frequent shortages for urban rights holders along Colorado's Front Range. Informal leases are facilitated via option contracts that include adaptive triggers and that define volumes of additional, compensatory, releases designed to mitigate impacts to instream flows and third parties. Results suggest that more rapid reallocation of water via informal leases could have resulted in up to $222 million in additional benefits for urban rights holders during the historical period 1950–2013.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Use of Satellite, Surface Observations and Numerical Weather Prediction Model Data to Improve Cloud Base Height and Cloud Base Vertical Velocity Estimation

Cloud base height (CBH) and cloud base vertical velocity (CBVV) are important variables that impact the overall climate in a region as they influence the formulation, longevity, and evolution of clouds. Retrieval of both parameters have long used ground instrumentation (e.g., Doppler lidar (DL), ground base radar); however, retrieving CBH from satellites is particularly challenging given that space-based instruments only observe cloud tops. In this manuscript, CBH is retrieved using a multi-linear regression equation, while CBVV used a random forests model. Both retrievals combine satellite and numerical weather prediction data. The satellite data used are the Visible Infrared Imaging Radiometer Suite imagery, while measurements of CBH and CBVV include DL and radiosonde data at the Southern Great Plains (SGP) Atmospheric Radiation Measurement observatory. Data from 83 summer days (May-August) in 2018–2021 featuring cumulus clouds forced by solar heating were examined and used to train the models, with years 2022–2023 used for validation. Various spatial domains were defined with one large (2.4° longitude by 2.0° latitude) SGP domain being split into smaller sections (smallest being 0.99° and 0.61° longitude and latitude respectably). CBH and CBVV values obtained from the DL as compared to the models show root mean square errors between 150 and 200 m, with CBVV values between 0.45 and 1 ms -1 . Finally, it was found that the CBH formulation performs well over all domains, while the CBVV retrievals become less accurate due to more turbulence being introduced into the observations as the number of DL stations decreases in the smaller domains.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Space Weather: New Directions for a Maturing Field and Journal

As space weather has significantly matured as a field, the Space Weather journal is implementing two major changes: a new scope and a new Editor-in-Chief (EiC). As part of the revised scope, the novelty of submitted manuscripts is now a major quality to be assessed by the editors and reviewers. The goal of the journal remains primarily to advance our understanding of fundamental space phenomena that have direct impact on technology, to improve the forecasting of such phenomena, and to provide space environment climatology models. This new scope is the last major change implemented by the departing EiC who will be succeeded in January 2026 by Dr. Steven K. Morley. The new EiC will now oversee a large editorial board and a journal with over 400 submissions in 2025.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Studying phonon coherence with a quantum sensor

Nanomechanical oscillators offer numerous advantages for quantum technologies. Their integration with superconducting qubits shows promise for hardware-efficient quantum error-correction protocols involving superpositions of mechanical coherent states. Limitations of this approach include mechanical decoherence processes, particularly two-level system (TLS) defects, which have been widely studied using classical fields and detectors. In this manuscript, we use a superconducting qubit as a quantum sensor to perform phonon number-resolved measurements on a piezoelectrically coupled phononic crystal cavity. This enables a high-resolution study of mechanical dissipation and dephasing in coherent states of variable size ($\overline{n}$ ≃ 1 – 10 phonons). We observe nonexponential relaxation and state size-dependent reduction of the dephasing rate, which we attribute to TLS. Using a numerical model, we reproduce the dissipation signatures (and to a lesser extent, the dephasing signatures) via emission into a small ensemble (N = 5) of rapidly dephasing TLS. Our findings comprise a detailed examination of TLS-induced phonon decoherence in the quantum regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Discovering equations that govern experimental materials stability under environmental stress using scientific machine learning

Abstract While machine learning (ML) in experimental research has demonstrated impressive predictive capabilities, extracting fungible knowledge representations from experimental data remains an elusive task. In this manuscript, we use ML to infer the underlying differential equation (DE) from experimental data of degrading organic-inorganic methylammonium lead iodide (MAPI) perovskite thin films under environmental stressors (elevated temperature, humidity, and light). Using a sparse regression algorithm, we find that the underlying DE governing MAPI degradation across a broad temperature range of 35 to 85 °C is described minimally by a second-order polynomial. This DE corresponds to the Verhulst logistic function, which describes reaction kinetics analogous to self-propagating reactions. We examine the robustness of our conclusions to experimental variance and Gaussian noise and describe the experimental limits within which this methodology can be applied. Our study highlights the promise and challenges associated with ML-aided scientific discovery by demonstrating its application in experimental chemical and materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microbial interactions with silicate glasses

Glass alteration in the presence of microorganisms has been a topic of research for over 150 years. Researchers from a variety of disciplines, including material science, biology, chemistry, geology, physics, and cultural heritage materials preservation have conducted experiments in this area to try and understand when, how, and why microorganism may interact and subsequently influence the alteration of glass. The breadth and depth of these studies are the topic of this review. This review presents a detailed history and a comprehensive overview of this field of research, while maintaining focus on the terrestrial alteration of anthropogenic silicate glasses. Within this manuscript is a schema for bio-interaction with silicate glasses and an outline of an evidence-based hypothesis on how these interactions may influence glass alteration processes. Topics discussed include microbial colonization of glass, development, and interactions of biofilms with glass surface, abiotic vs. biotic alteration processes, and signatures of bio-alteration. Future research needs and a discussion of practical drivers for this research are summarized.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-energy emission from a magnetar giant flare in the Sculptor galaxy

Magnetars are the most highly magnetized neutron stars in the cosmos (with magnetic field 10 13 –10 15 G). Giant flares from magnetars are rare, short-duration (about 0.1 s) bursts of hard X-rays and soft γ rays. Owing to the limited sensitivity and energy coverage of previous telescopes, no magnetar giant flare has been detected at gigaelectronvolt (GeV) energies. Here, we report the discovery of GeV emission from a magnetar giant flare on 15 April 2020 (refs. 3,4 and A. J. Castro-Tirado et al., manuscript in preparation). The Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope detected GeV γ rays from 19 s until 284 s after the initial detection of a signal in the megaelectronvolt (MeV) band. Our analysis shows that these γ rays are spatially associated with the nearby (3.5 megaparsecs) Sculptor galaxy and are unlikely to originate from a cosmological γ-ray burst. Thus, we infer that the γ rays originated with the magnetar giant flare in Sculptor. Furthermore, we suggest that the GeV signal is generated by an ultra-relativistic outflow that first radiates the prompt MeV-band photons, and then deposits its energy far from the stellar magnetosphere. After a propagation delay, the outflow interacts with environmental gas and produces shock waves that accelerate electrons to very high energies; these electrons then emit GeV γ rays as optically thin synchrotron radiation. This observation implies that a relativistic outflow is associated with the magnetar giant flare, and suggests the possibility that magnetars can power some short γ-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗