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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Enhanced Spatial Mapping of Histone Proteoforms in Human Kidney Through MALDI-MSI by High-Field UHMR-Orbitrap Detection

Core histones including H2A, H2B, H3, and H4 are key modulators of cellular repair, transcription, and replication within eukaryotic cells, playing vital roles within the pathogenesis of disease and cellular responses to environmental stimuli. Traditional mass spectrometry (MS) based bottom-up and top-down proteomics allows for the comprehensive identification of proteins and of post-translational modification (PTM) harboring proteoforms. However, these methodologies have difficulties preserving near cellular spatial distributions because they typically require laser capture microdissection (LCM) and advanced sample preparation techniques. Herein, we coupled matrix-assisted laser desorption/ionization (MALDI) source with a Thermo Scientific Q-Exactive HF Orbitrap MS upgraded with ultra-high mass range (UHMR) boards for the first demonstration of complementary high-resolution accurate mass measurements of proteoforms directly from tissue using this benchtop mass spectrometer. The platform achieved isotopic resolution throughout the detected mass range, providing confident assignments of proteoforms with low ppm mass error and a vastly improved duty cycle over other Fourier transform mass analyzers. Proteoform mapping of core histones was demonstrated on sections of human kidney at near-cellular spatial resolution, with several key distributions of histone and other proteoforms noted within both healthy biopsy and a section from a renal cell carcinoma (RCC) containing nephrectomy. Further, the use of MALDI-MS imaging (MSI) for proteoform mapping demonstrates several steps towards high-throughput accurate identification of proteoforms and provides a new tool for mapping biomolecule distributions throughout tissue sections in extended mass ranges.

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

The Circular Economy Life Cycle Assessment and Visualization Framework: A Multistate Case Study of Wind Blade Circularity in United States

A circular economy (CE) aims to decouple human activities from economic activities and resource use, and its overall goal is reducing or avoiding negative environmental externalities. The newly developed Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates changes in supply chain environmental impacts as it transitions toward circularity. This study expands CELAVI by incorporating detailed spatial resolution and real-world road routes connecting all facilities within the system. The case study on end-of-life decision making of wind turbine blades in the states of Iowa and Missouri explores how supply chain circularity and environmental impacts are affected by pathway costs and level of wind turbine installations. It demonstrates how high circularity costs might be beneficial for circularity transitions given revenue generated from circular pathways. Finally, impacts have important contributions to the supply chain design and thus show the importance of including detailed spatial resolution in CELAVI and CE studies in general.

circular economy↗
DOE OSTI2020

Quantifying resolution in cosmological N- body simulations using self-similarity

ABSTRACT We demonstrate that testing for self-similarity in scale-free simulations provides an excellent tool to quantify the resolution at small scales of cosmological N-body simulations. Analysing two-point correlation functions measured in simulations using abacus , we show how observed deviations from self-similarity reveal the range of time and distance scales in which convergence is obtained. While the well-converged scales show accuracy below 1 per cent, our results show that, with a small force softening length, the spatial resolution is essentially determined by the mass resolution. At later times, the lower cut-off scale on convergence evolves in comoving units as a−1/2 (a being the scale factor), consistent with a hypothesis that it is set by two-body collisionality. A corollary of our results is that N-body simulations, particularly at high red-shift, contain a significant spatial range in which clustering appears converged with respect to the time-stepping and force softening but has not actually converged to the physical continuum result. The method developed can be applied to determine the resolution of any clustering statistic and extended to infer resolution limits for non-scale-free simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Circular Economy Lifecycle Assessment and Visualization Framework - CELAVI

A circular economy (CE) aims to decouple human activities from economic growth and resource use, and its overall goal is reducing or avoiding negative environmental externalities. The newly developed Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates changes in supply chain environmental impacts as it transitions toward circularity. This study expands CELAVI by incorporating detailed spatial resolution and real-world road routes connecting all facilities within the system. The case study on end-of-life decision making of wind turbine blades in the states of Iowa and Missouri explores how supply chain circularity and environmental impacts are affected by pathway costs and level of wind turbine installations. It demonstrates how high circularity costs might be beneficial for circularity transitions given revenue generated from circular pathways. Finally, impacts have important contributions to the supply chain design and thus show the importance of including detailed spatial resolution in CELAVI and CE studies in general.

circular economy↗
DOE OSTI2026

Evaluation of a high-resolution regional climate simulation for surface and hub-height wind climatology over North America

Assessing the availability of key wind resources requires augmenting observations to support the implementation of wind energy infrastructure. However, observations are limited, necessitating the development of high-resolution, long-term gridded datasets. This study presents a robust, dynamically downscaled climatological dataset, offering 20 years of hourly wind data at a 4 km spatial resolution across North America, and evaluates its performance against observations, including meteorological towers and automated surface-observing system (ASOS) stations, as well as coarse-resolution reanalysis data (the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis version 5 (ERA5)). Results demonstrate that the downscaled high-resolution wind data outperform ERA5 in regions of complex terrain and coastal areas, with improved overlap coefficients for wind data distributions and reduced root mean square errors (RMSEs) for hub-height and near-surface diurnal wind patterns. The downscaled simulation also captures the synoptic drivers of seasonal wind direction patterns reasonably well, indicated by high wind rose similarity indices. This study also provides an analysis of interannual variability, utilizing the dataset's full 20-year period, and model uncertainty, generated by varying model initial conditions and physics parameterizations across 1-year ensemble members, which are key considerations for wind resource assessment in wind farm development.

17 WIND ENERGY↗
DOE OSTI2026

Structured illumination for surface-resolved grazing-incidence X-ray scattering

Grazing-incidence (GI) scattering techniques are widely used to characterize thin films, offering high surface sensitivity and insight into morphology and structure. However, these approaches typically provide statistical averaged information due to elongated footprint or limited spatial resolution due to beam size. Here we introduce a method that combines structured illumination with GI X-ray scattering and leverages our computational imaging approach to resolve local structural details. We demonstrate that our method captures local features of an organic semiconductor thin film without the need for sample rotation as in tomography. The method expands GI techniques from statistical averaging to high-resolution imaging, thereby providing the capability for detailed analysis of local material properties, such as domain shape, orientation and polymorphism, which are critical for advancing material design towards more efficient and tailored materials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Designing high-power, octave spanning entangled photon sources for quantum spectroscopy

Entangled photon spectroscopy is a nascent field that has important implications for measurement and imaging across chemical, biology, and materials fields. Entangled photon spectroscopy potentially offers improved spatial and temporal-frequency resolutions, increased cross sections for multiphoton and nonlinear measurements, and new abilities in inducing or measuring quantum correlations. A critical step in enabling entangled photon spectroscopies is the creation of high-flux entangled sources that can use conventional detectors as well as provide redundancy for the losses in realistic samples. Here, we report a periodically poled, chirped, lithium tantalate platform that generates entangled photon pairs with ~10 -7 efficiency. For a near watt level diode laser, this results in a near μW-level flux. The single photon per mode limit that is necessary to maintain non-classical photon behavior is still satisfied by distributing this power over up to an octave-spanning bandwidth. The spectral–temporal photon correlations are observed via a Michelson-type interferometer that measures the broadband Hong–Ou–Mandel two-photon interference. A coherence time of 245 fs for a 10 nm bandwidth in the collinear case and a coherence time of 62 fs for a 125 nm bandwidth in the non-collinear case are measured using a CW pump laser and, essentially, collecting the full photon cone. We outline in detail the numerical methods used for designing and tailoring the entangled photons source, such as changing center wavelength or bandwidth, with the ultimate aim of increasing the availability of high-flux UV–Vis entangled photon sources in the optical spectroscopy community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Assessing mean climate change signals in the global CORDEX-CORE ensemble

The new Coordinated Output for Regional Evaluations (CORDEX-CORE) ensemble provides high-resolution, consistent regional climate change projections for the major inhabited areas of the world. It serves as a solid scientific basis for further research related to vulnerability, impact, adaptation and climate services in addition to existing CORDEX simulations. The aim of this study is to investigate and document the climate change information provided by the CORDEX-CORE simulation ensemble, as a part of the World Climate Research Programme (WCRP) CORDEX community. An overview of the annual and monthly mean climate change information in selected regions in different CORDEX domains is presented for temperature and precipitation, providing the foundation for detailed follow-up studies and applications. Initially, two regional climate models (RCMs), REMO and RegCM were used to downscale global climate model output. The driving simulations by AR5 global climate models (AR5-GCMs) were selected to cover the spread of high, medium, and low equilibrium climate sensitivity at a global scale. The CORDEX-CORE ensemble has doubled the spatial resolution compared to the previously existing CORDEX simulations in most of the regions (25 $\,\mathrm {km}$ (0.22 $^{\circ }$ /jats:inline-formula>) versus 50 $\,\mathrm {km}$ (0.44 $^{\circ }$ )) leading to a potentially improved representation of, e.g., physical processes in the RCMs. The analysis focuses on changes in the IPCC physical climate reference regions. The results show a general reasonable representation of the spread of the temperature and precipitation climate change signals of the AR5-GCMs by the CORDEX-CORE simulations in the investigated regions in all CORDEX domains by mostly covering the AR5 interquartile range of climate change signals. The simulated CORDEX-CORE monthly climate change signals mostly follow the AR5-GCMs, although for specific regions they show a different change in the course of the year compared to the AR5-GCMs, especially for RCP8.5, which needs to be investigated further in region specific process studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A glycoprotein B-neutralizing antibody structure at 2.8 Å uncovers a critical domain for herpesvirus fusion initiation

Members of the Herpesviridae, including the medically important alphaherpesvirus varicella-zoster virus (VZV), induce fusion of the virion envelope with cell membranes during entry, and between cells to form polykaryocytes in infected tissues. The conserved glycoproteins, gB, gH and gL, are the core functional proteins of the herpesvirus fusion complex. gB serves as the primary fusogen via its fusion loops, but functions for the remaining gB domains remain unexplained. As a pathway for biological discovery of domain function, our approach used structure-based analysis of the viral fusogen together with a neutralizing antibody. We report here a 2.8 Å cryogenic-electron microscopy structure of native gB recovered from VZV-infected cells, in complex with a human monoclonal antibody, 93k. This high-resolution structure guided targeted mutagenesis at the gB-93k interface, providing compelling evidence that a domain spatially distant from the gB fusion loops is critical for herpesvirus fusion, revealing a potential new target for antiviral therapies. Herpesvirus virions have an outer lipid membrane dotted with glycoproteins that enable fusion with cell membranes to initiate entry and establish infection. Here the authors elucidate the structural mechanism of a neutralizing antibody derived from a patient infected by the herpesvirus varicella-zoster virus and targeted to its fusogen, glycoprotein-B.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Non-classical crystallization in soft and organic materials

Classical nucleation and crystal growth theories describe how nuclei form, become stable after reaching a critical size and then enlarge through monomer attachment. More than two decades ago, non-classical pathways have been proposed for various types of (bio)molecules and materials, which can substantially alter the crystallization kinetics and outcomes. Direct observation of non-classical crystallization of inorganic nanomaterials, including metastable structure-mediated and particle attachment-based pathways that usually occur on the nanoscale, was enabled by in situ liquid-phase electron microscopy. However, it was not until recently that the crystallization dynamics of beam-sensitive soft materials were directly imaged with sufficient spatial resolution, and a level of microstructural understanding of defects and interfaces emerged. This article provides a high-level review of the non-classical crystallization pathways discovered in soft and organic materials and a forward-looking guide for future research. We first analyse how the characteristics of soft materials affect their crystallization pathways and kinetics. We then identify technical approaches to studying the crystallization trajectories of soft materials and discuss strategies to properly select and apply them to different systems. Breakthroughs made in understanding the crystallization of small organic molecules, (bio)macromolecules, colloids and reticular framework materials are examined. Lastly, we provide an outlook on the challenges in elucidating soft material crystallization pathways and the opportunities for assisting the design and synthesis of new materials and structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Time Projection Chambers instrumented with resistive MicroMegas for the SAND near detector of DUNE

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino accelerator experiment aiming for precise measurements of the neutrino oscillation parameters. DUNE will include a near detector complex regrouping three different detectors among which SAND (System for on-Axis Neutrino Detection) that will be the only one permanently on the neutrino beam axis in charge of monitoring in detail the emitted neutrino beam and its stability through time, a crucial characteristic to realize accurate oscillation measurements at the percent level. SAND will reuse the superconducting magnet and the electromagnetic calorimeter of the KLOE experiment. We will describe in the following the proposal of using, as inner tracker of SAND, a large 3D matrix of 1.5cm side scintillator cubes (3DST) surrounded by 3 gaseous Time Projection Chambers. This setup allows to realize accurate beam monitoring combining the 3DST unprecedented capability of neutron detection and energy measurement with the high precision momentum resolution for charged particles offered by the TPCs. The proposed TPC design allows to reach spatial resolutions of a few hundreds of micrometers using 1 cm pads by deploying the resistive MicroMegas technology for the charge readout.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Test and characterization of finely segmented pixel CZT detectors for future hard x-ray missions

The NuSTAR (Nuclear Spectroscopic Telescope Array) mission was launched in 2012, and it has successfully deployed the first orbiting telescopes to focus high energy X-ray (3 - 79 keV) light, providing a wealth of new information on high-energy X-rays sources. Follow-up missions, such as the proposed HEX-P, BEST, and FORCE, could perform a deeper black hole census providing a more refined measurement of black hole spins, allowing for greater knowledge about supermassive black holes. Here, these missions are motivated by the recent breakthroughs in the hard X-ray mirror technologies, where mirrors, either made of monolithic silicon segments, or made directly or via replication of shells, demonstrate the feasibility of making hard X-ray mirrors with angular resolutions of 5-10 arc-seconds Half Power Diameter (HPD) compared to the NuSTAR’s 1 arc-minute HPD. Such a high angular resolution requires matched detectors with higher degree of segmentation to fully benefit from the achievable improved spatial resolution. In the above framework, the HEXID ASIC, a novel pixelated front-end suitable for reading out a finely segmented CZT sensor with 150 μm pixel pitch in a hexagonal arrangement has been developed. This readout pixelated chip is capable of processing photon-generated charge packets over a large dynamic range (from 2 keV up to 180 keV), while keeping a low input noise (ENC <20 e - ). In this work, the initial characterization of the ASIC prototype will be presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Genomes to ecosystem function: Targeting critical knowledge gaps in methanogenesis and translation to updated global biogeochemical models

Natural freshwater temperate wetland systems currently represent the largest natural source of atmospheric methane, but are relatively understudied using systems biology tools (e.g. meta-omics) compared to other high producing methane systems (e.g. peat, tropical, or reconstructed wetlands). Using field investigations at the NOAA operated sentinel site on Lake Erie, methane producing activities and responses to geochemical conditions will be determined along seasonal and spatial gradients (Objective 1). Here, a combination of high-throughput activity and gas measurements, combined with high-resolution systems biology and analytical methods, will provide in depth knowledge of the microbiological, chemical, and physical constraints on methane production in wetlands. Using laboratory microcosms, the formation of anoxic microsites and their capacity to facilitate methane production in wetland soils will be simulated (Objective 2). This objective will validate the findings from the field investigations, offering a more controlled environment for teasing out the role of different yet interrelated variables. Lastly, these field and laboratory data will be used for multi-scale, process-level evaluation of an ecosystem biogeochemical model that accommodates these newly identified processes and parameterizes representation of these processes along relevant environmental gradients (Objective 3).This research will identify multiple interacting geochemical, ecological, and metabolic constraints that are poorly understood, oversimplified, or missing in global biogeochemical methane models. This proposal targets the role of oxygen limitation on methane processes in soil domains, to improve reactive transport models of microbial carbon cycling across terrestrial-aquatic soils and generate data on nutrient cycling activities in Great Lake wetlands. This information could provide new insights into the microbial controllers of Lake Erie eutrophication.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

HYBRD (High Resolution HYBrid Regional Downscaling) Model: Input data and Code

The HYBRD (HYBrid Regional Downscaling) model is a high-resolution urban land downscaling model that can be used to downscale intermediate urban land use and land cover (LULC) products into a high-resolution (30-meters). HYBRD uses a sequential hybrid process, combining statistical models with cellular-automata-based spatial algorithms. This repository contains all the necessary model code and inputs needed to successfully run HYBRD for Los Angeles, California. The repo also contains example outputs of each model step, except the final simulated raster outputs. Examples of simulated raster outputs for multiple scenarios for Los Angeles are available at DOI: 10.57931/2575233. Please refer to Related Works below.

Land↗
DOE OSTI2024

Advanced Instrumentation for Metal Additive Manufacturing

Laser powder bed fusion (LPBF) is the most widely used process for metal additive manufacturing (AM), particularly where complex geometries provide performance advantages unattainable with traditional manufacturing techniques. However, LPBF is highly sensitive to innate variability in both the powder spreading and fusion steps, often leading to defects such as pores that are difficult to detect yet significantly impair component mechanical properties and fatigue life. This thesis presents a range of novel instruments enabling both precise assessment of powder layer characteristics and in-situ thermal metrology of metal AM to advance the quality control of LPBF. First, leveraging a custom X-ray microscope and a radiation-transport model developed through this work, transmission X-ray imaging is used to study spreading of thin metal powder layers. Effective layer depth is directly mapped at a process-relevant size scale, surpassing optical techniques that can only estimate local deposition from layer surface topography. Layer packing density and quality are shown to be influenced by powder flowability and particle size relative to nominal powder layer thickness. Layer quality is additionally connected to the geometry of the spreading implement and its velocity. This technique and its presented findings enable pairing feedstocks with spreading strategies that create layers with consistent packing density and uniformity. Second, a twofold approach is employed to optically interrogate the laser fusion step of LPBF for observing signatures of defect formation. Aperture division multiplexing is conceptualized, providing for simultaneous laser delivery and high-fidelity infrared (IR) process monitoring through a common optic. In-situ microscopy at 50 μm spatial resolution and at mid-wave IR wavelengths is proven readily achievable with the first purpose-built optic of this type. Next, a bespoke imaging spectrometer, along with a temperature-emissivity separation technique, is used to retrieve accurate process temperatures over a 1000 K range. Data from these instruments are correlated to porosity as fine as 4.3 μm in two LPBF test artifacts, as verified using computed tomography (CT), establishing the viability of robust optically-based component qualification.

Penny, Ryan↗
DOE OSTI2022

Sensor-Equipped Unmanned Surface Vehicle for High-Resolution Mapping of Water Quality in Low- to Mid-Order Streams

Longitudinal profiling of water quality via the deployment of sensors from watercraft has advanced the understanding of spatial patterns in large rivers and lakes; however, a similar approach in low- to mid-order streams is lacking. To fill this gap, we developed an unmanned surface vehicle (USV)-water quality measurement platform (the “AquaBOT”). The components of the AquaBOT included a nitrate sensor, multiparameter sonde (temperature, conductivity, turbidity, dissolved oxygen, chlorophyll), quantum sensor, and global positioning system (GPS) mounted to a small pontoon-style USV. The AquaBOT was tested in four streams and rivers in Iowa and Tennessee. All measured water quality parameters varied longitudinally, and greater ranges were generally observed along the low-order, agriculturally influenced streams in Iowa. Nitrate, in particular, was spatially heterogeneous. For example, during one run in early June, concentrations ranged from 10.5 to 12.5 mg N L –1 along a 2.3 km reach and hotspots were observed directly downstream of some tile drains. The spatial resolution of AquaBOT data collected in June was 10× higher than grab sampling data, and measurements were collected in less time and at a comparable cost. Here, the AquaBOT can complement existing measurement approaches and will lead to advancements in understanding the processes driving water quality along the stream-to-river continuum.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Precision Calcination Mechanism of CaCO 3 to High-Porosity Nanoscale CaO CO 2 Sorbent Revealed by Direct In Situ Observations

Deploying energy storage and carbon capture at scale is hindered by the substantial endothermic penalty of decomposing CaCO 3 to CaO and CO 2 , and the rapid loss of CO 2 absorption capacity by CaO sorbent particles due to sintering at the high requisite decomposition temperatures. The decomposition reaction mechanism underlying sorbent deactivation remains unclear at the atomic level and nanoscale due to past reliance on postmortem characterization methods with insufficient spatial and temporal resolution. Thus, elucidating the important CaCO 3 decomposition reaction pathway requires direct observation by time-resolved (sub-)nanoscale methods. Here, chemical and structural dynamics during the decomposition of CaCO 3 nanoparticles to nanoporous CaO particles comprising high-surface-area CaO nanocrystallites are examined. Comparing in situ transmission electron microscopy (TEM) and synchrotron X-ray diffraction experiments gives key insights into the dynamics of nanoparticle calcination, involving anisotropic CaCO 3 thermal distortion before conversion to thermally dilated energetically stable CaO crystallites. Time-resolved TEM uncovered a novel CaO formation mechanism involving heterogeneous nucleation at extended CaCO 3 defects followed by sweeping reaction front motion across the initial CaCO 3 particle. These observations clarify longstanding, yet incomplete, reaction mechanisms and kinetic models lacking accurate information about (sub-)nanoscale dynamics, while also demonstrating calcination of CaCO 3 without sintering through rapid heating and precise temperature control.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Revealing Nanoscale Confinement Effects on Hyperbolic Phonon Polaritons with an Electron Beam

Hyperbolic phonon polaritons (HPhPs) in hexagonal boron nitride (hBN) enable the direct manipulation of mid-infrared light at nanometer scales, many orders of magnitude below the free-space light wavelength. High-resolution monochromated electron energy-loss spectroscopy (EELS) facilitates measurement of excitations with energies extending into the mid-infrared while maintaining nanoscale spatial resolution, making it ideal for detecting HPhPs. The electron beam is a precise source and probe of HPhPs, which allows the observation of nanoscale confinement in HPhP structures and directly extract hBN polariton dispersions for both modes in the bulk of the flake and modes along the edge. The measurements reveal technologically important nontrivial phenomena, such as localized polaritons induced by environmental heterogeneity, enhanced and suppressed excitation due to 2D interference, and strong modification of high-momenta excitations such as edge-confined polaritons by nanoscale heterogeneity on edge boundaries. Finally, the work opens exciting prospects for the design of real-world optical mid-infrared devices based on hyperbolic polaritons.

2D materials↗