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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 343 records · Page 19

Confocal Raman Microscopy as a Probe of Material Deconstruction in Processed Low-Density Polyethylene Particles

Confocal Raman microscopy was applied to detect structural change within individual particles of low-density polyethylene (LDPE) following chemical and electrochemical processing steps that aimed to facilitate material decomposition. A high numerical aperture (NA) oil-immersion objective enabled depth-profiling through the near surface region (20 μm–40 μm) of irregularly shaped particles with an axial spatial resolution < 2 μm estimated from measurements of instrument detection efficiency profiles. Changes in vibrational bands sensitive to polyethylene crystallinity were evident following treatments and linked to the release of low molecular weight compounds present as additives and products of processing. Effects of processing were probed by monitoring the rise of Raman scattering intensity in vibrational modes associated with polyethylene chains in a zig-zag (trans) conformation near 1128 cm –1 , 1294 cm –1 , and 1418 cm –1 , signaling chain clustering and development of organized, crystalline-like assemblies. Pristine LDPE particles displayed a uniform structure across the near surface region, while particles treated initially with chemical extractant and then further processed displayed increasingly enhanced crystallinity up to the maximum depth probed (40 μm). As a step toward measurements on ensembles of particles, least squares modeling was adapted to derive pure component spectra reflecting crystallinity change within spectral datasets. The work demonstrates high spatial resolution Raman depth-profiling for the characterization of processed polymers using a high NA immersion objective to overcome the limitations of air-objectives often used for confocal Raman microscopy.

Wahiduzzaman, Md. [Department of Chemistry and Bio↗

Spatiotemporal evolution of melt ponds on Arctic sea ice

Melt ponds on sea ice play an important role in the Arctic climate system. Their presence alters the partitioning of solar radiation: decreasing reflection, increasing absorption and transmission to the ice and ocean, and enhancing melt. The spatiotemporal properties of melt ponds thus modify ice albedo feedbacks and the mass balance of Arctic sea ice. The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition presented a valuable opportunity to investigate the seasonal evolution of melt ponds through a rich array of atmosphere-ice-ocean measurements across spatial and temporal scales. In this study, we characterize the seasonal behavior and variability in the snow, surface scattering layer, and melt ponds from spring melt to autumn freeze-up using in situ surveys and auxiliary observations. We compare the results to satellite retrievals and output from two models: the Community Earth System Model (CESM2) and the Marginal Ice Zone Modeling and Assimilation System (MIZMAS). During the melt season, the maximum pond coverage and depth were 21% and 22 ± 13 cm, respectively, with distribution and depth corresponding to surface roughness and ice thickness. Compared to observations, both models overestimate melt pond coverage in summer, with maximum values of approximately 41% (MIZMAS) and 51% (CESM2). This overestimation has important implications for accurately simulating albedo feedbacks. During the observed freeze-up, weather events, including rain on snow, caused high-frequency variability in snow depth, while pond coverage and depth remained relatively constant until continuous freezing ensued. Both models accurately simulate the abrupt cessation of melt ponds during freeze-up, but the dates of freeze-up differ. MIZMAS accurately simulates the observed date of freeze-up, while CESM2 simulates freeze-up one-to-two weeks earlier. This work demonstrates areas that warrant future observation-model synthesis for improving the representation of sea-ice processes and properties, which can aid accurate simulations of albedo feedbacks in a warming climate.

54 ENVIRONMENTAL SCIENCES↗

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗

Leveraging reVeal for Data Center Siting [Slides]

reVeal (the reV Extension for Analyzing Loads) is an open-source, flexible geospatial platform designed to characterize site suitability, with the goal of informing spatial downscaling and disaggregation of large-scale load projections.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Partnership Center for High-fidelity Boundary Plasma Simulation

The University of Colorado Boulder contributed to the DOE Partnership Center for High‑fidelity Boundary Plasma Simulation (award DE‑SC0018271) by advancing gyrokinetic modeling of core–edge plasma interactions in tokamaks. Using the GEM and XGC codes, the project investigated turbulence spreading from the plasma edge to the core, finding that while edge‑driven trapped electron mode turbulence enhances core ion heat flux in DIII‑D L‑mode plasmas, it does not fully explain experimentally observed transport shortfalls, indicating a need for flux‑driven models. The team also demonstrated that edge micro‑instabilities are highly sensitive to small variations in magnetic equilibrium, particularly near the pedestal and edge, highlighting the importance of accurately characterizing equilibrium uncertainties. Significant progress was made in spatially coupling the core GEM and edge XGC simulations, with successful validation against standalone XGC results in realistic tokamak geometries, laying the groundwork for future extensions to kinetic electrons and electromagnetic effects.

42 ENGINEERING↗

ARM Aerosol Measurement Science Group Charter

The Atmospheric Radiation Measurement (ARM) Aerosol Measurement Science Group (AMSG) is tasked with providing enhanced coordination of ARM Climate Research Facility observations of aerosols and atmospheric trace gases with the needs of its users. Its objective is to ensure advanced, well-characterized observational measurements and data products at the spatial and temporal scales necessary for improving climate science and climate model forecasts. The primary function of the AMSG will be to provide strategies to the ARM Technical Director and ARM Chief Operations Officer that can be used to implement a coherent measurement and data processing approach that addresses the priority aerosol science needs of ARM and Atmospheric System Research. The group fulfills the need for an integrated oversight to the planning, coordination, and leadership of aerosol instrumentation selection and deployment, measurement strategy and quality, and data product development from both science and operations perspectives.

Source record↗

Characterization of Crystal Properties and Defects in CdZnTe Radiation Detectors

CdZnTe-based detectors are highly valued because of their high spectral resolution, which is an essential feature for nuclear medical imaging. However, this resolution is compromised when there are substantial defects in the CdZnTe crystals. In this study, we present a learning-based approach to determine the spatially dependent bulk properties and defects in semiconductor detectors. This characterization allows us to mitigate and compensate for the undesired effects caused by crystal impurities. We tested our model with computer-generated noise-free input data, where it showed excellent accuracy, achieving an average RMSE of 0.43% between the predicted and the ground truth crystal properties. In addition, a sensitivity analysis was performed to determine the effect of noisy data on the accuracy of the model.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Real-time neutron multiplicity and source localization for criticality safety during fuel debris removal

Advancing neutron detection and analysis techniques for complex radiation environments is an ongoing focus in nuclear instrumentation and monitoring. This proposal presents research and development of a generalized real-time neutron monitoring and analysis system, applicable to any detector capable of producing time-tagged neutron count data. While the work is demonstrated using the Neutron Multiplication Analysis Detector (NoMAD), a modular 15-tube helium-3 (He-3) array, due to its availability, spatial resolution, and flexible deployment, the methods developed are extensible to other systems, including organic scintillators and fast digital detectors. This research investigates two complementary analytical techniques for real-time characterization of neutron emitting sources: neutron multiplicity estimation based on the Hage-Cifarelli formalism and spatial localization using supervised machine learning applied to spatial count rate patterns. These methods are designed to operate under dynamic, evolving conditions such as fuel debris retrieval or reactor startup, where neutron-emitting material geometries may be partially unknown or changing over time. By integrating statistical neutron emission data with spatial localization, this research aims to develop and evaluate methods for real time neutron monitoring, source characterization, and material verification. Key contributions include implementation of a low-latency data pipeline for continuous neutron multiplicity analysis, development and validation of machine learning models for spatial inference, and experimental evaluation of system performance under variable measurement conditions. The outcomes are intended to support applications in nuclear safeguards, verification, emergency response, and reactor startup.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sea ice pattern effect on Earth’s energy budget is characterized by hemispheric asymmetry

Earth’s energy budget is sensitive to the spatial distribution of sea surface temperature and sea ice concentration (SIC) change, but the global radiative effect of changes in SIC spatial distribution has not been quantified. We show that SIC-induced radiation anomalies at the top of the atmosphere are sensitive to the location of SIC reduction in each season, which qualitatively explains how and why the effect of sea ice loss on Earth’s energy budget is determined by its spatial pattern. Idealized experiments indicate that SIC-induced surface warming is greater in the Arctic regions, resulting in a more negative Planck feedback. Global low-level cloud cover responses to Arctic and Antarctic SIC reduction are also distinct, leading to more negative SIC-cloud feedback in Arctic regions. SIC-induced albedo feedback is sensitive to latitude due to inhomogeneous solar radiation at the surface. As a result, the simulated radiative effect of SIC anomalies during 1980–2019 is dominated by variations in the spatial pattern of SIC.

54 ENVIRONMENTAL SCIENCES↗

Distinguishing Mesoscale Polar Order (Unidirectional vs Bidirectional) of Cellulose Microfibrils in Plant Cell Walls Using Sum Frequency Generation Spectroscopy

Cellulose in plant cell walls are synthesized as crystalline microfibrils with diameters of 3–4 nm and lengths of around 1–10 μm. These microfibrils are known to be the backbone of cell walls, and their multiscale three-dimensional organization plays a critical role in cell wall functions including plant growth and recalcitrance to degradation. The mesoscale organization of microfibrils over a 1–100 nm range in cell walls is challenging to resolve because most characterization techniques investigating this length scale suffer from low spatial resolution, sample preparation artifacts, or inaccessibility of specific cell types. Here, we report a sum frequency generation (SFG) study determining the mesoscale polarity of cellulose microfibrils in intact plant cell walls. SFG is a nonlinear optical spectroscopy technique sensitive to the molecular-to-mesoscale order of noncentrosymmetric domains in amorphous matrices. However, the quantitative theoretical model to unravel the effect of polarity in packing of noncentrosymmetric domains on SFG spectral features has remained unresolved. In this work, we show how the phase synchronization principle of the SFG process is used to predict the relative intensities of vibrational modes with different polar angles from the noncentrosymmetric domain axis. Applying this model calculation for the first time and employing SFG microscopy, we found that cellulose microfibrils in certain xylem cell walls are deposited unidirectionally (or biased in one direction) instead of the bidirectional polarity which was believed to be dominant in plant cell walls from volume-averaged characterizations of macroscopic samples. Here, with this advancement in SFG analysis, one can now determine the relative polarity of noncentrosymmetric domains such as crystalline biopolymers interspersed in amorphous polymer matrices, which will open opportunities to study new questions that have not been conceived in the past.

36 MATERIALS SCIENCE↗

X-ray linear dichroic tomography of crystallographic and topological defects

Abstract The functionality of materials is determined by their composition 1–4 and microstructure, that is, the distribution and orientation of crystalline grains, grain boundaries and the defects within them 5,6 . Until now, characterization techniques that map the distribution of grains, their orientation and the presence of defects have been limited to surface investigations, to spatial resolutions of a few hundred nanometres or to systems of thickness around 100 nm, thus requiring destructive sample preparation for measurements and preventing the study of system-representative volumes or the investigation of materials under operational conditions 7–15 . Here we present X-ray linear dichroic orientation tomography (XL-DOT), a quantitative, non-invasive technique that allows for an intragranular and intergranular characterization of extended polycrystalline and non-crystalline 16 materials in three dimensions. We present the detailed characterization of a polycrystalline sample of vanadium pentoxide (V 2 O 5 ), a key catalyst in the production of sulfuric acid 17 . We determine the nanoscale composition, microstructure and crystal orientation throughout the polycrystalline sample with 73 nm spatial resolution. We identify and characterize grains, as well as twist, tilt and twin grain boundaries. We further observe the creation and annihilation of topological defects promoted by the presence of volume crystallographic defects. The non-destructive and spectroscopic nature of our method opens the door to operando combined chemical and microstructural investigations 11,18 of functional materials, including energy, mechanical and quantum materials.

Science & Technology - Other Topics↗

Electrochemical and spectroelectrochemical characterization of bacteria and bacterial systems

Microbes, such as bacteria, can be described, at one level, as small, self-sustaining chemical factories. Based on the species, strain, and even the environment, bacteria can be useful, neutral or pathogenic to human life, so it is increasingly important that we be able to characterize them at the molecular level with chemical specificity and spatial and temporal resolution in order to understand their behavior. Bacterial metabolism involves a large number of internal and external electron transfer processes, so it is logical that electrochemical techniques have been employed to investigate these bacterial metabolites. In this mini-review, we focus on electrochemical and spectroelectrochemical methods that have been developed and used specifically to chemically characterize bacteria and their behavior. First, we discuss the latest mechanistic insights and current understanding of microbial electron transfer, including both direct and mediated electron transfer. Second, we summarize progress on approaches to spatiotemporal characterization of secreted factors, including both metabolites and signaling molecules, which can be used to discern how natural or external factors can alter metabolic states of bacterial cells and change either their individual or collective behavior. Finally, we address in situ methods of single-cell characterization, which can uncover how heterogeneity in cell behavior is reflected in the behavior and properties of collections of bacteria, e.g. bacterial communities. Recent advances in (spectro)electrochemical characterization of bacteria have yielded important new insights both at the ensemble and the single-entity levels, which are furthering our understanding of bacterial behavior. Furthermore, these insights, in turn, promise to benefit applications ranging from biosensors to the use of bacteria in bacteria-based bioenergy generation and storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fast X-ray Nanotomography with Sub-10 nm Resolution as a Powerful Imaging Tool for Nanotechnology and Energy Storage Applications

In the last decade, transmission X-ray microscopes (TXMs) have come into operation in most of the synchrotrons worldwide. They have proven to be outstanding tools for non-invasive ex and in situ 3D characterization of materials at the nanoscale across varying range of scientific applications. However, their spatial resolution has not improved in many years, while newly developed functional materials and microdevices with enhanced performances exhibit nanostructures always finer. Here, optomechanical breakthroughs leading to fast 3D tomographic acquisitions (85 min) with sub-10 nm spatial resolution, narrowing the gap between X-ray and electron microscopy, are reported. These new achievements are first validated with 3D characterizations of nanolithography objects corresponding to ultrahigh-aspect-ratio hard X-ray zone plates. Then, this powerful technique is used to investigate the morphology and conformality of nanometer-thick film electrodes synthesized by atomic layer deposition and magnetron sputtering deposition methods on 3D silicon scaffolds for electrochemical energy storage applications.

36 MATERIALS SCIENCE↗

Design and analysis of a wake model for spatially heterogeneous flow

Abstract. Methods of turbine wake modeling are being developed to more accurately account for spatially variant atmospheric conditions within wind farms. Most current wake modeling utilities are designed to apply a uniform flow field to the entire domain of a wind farm. When this method is used, the accuracy of power prediction and wind farm controls can be compromised depending on the flow-field characteristics of a particular area. In an effort to improve strategies of wind farm wake modeling and power prediction, FLOw Redirection and Induction in Steady State (FLORIS) was developed to implement sophisticated methods of atmospheric characterization and power output calculation. In this paper, we describe an adapted FLORIS model that features spatial heterogeneity in flow-field characterization. This model approximates an observed flow field by interpolating from a set of atmospheric measurements that represent local weather conditions. The objective of this method is to capture heterogeneous atmospheric effects caused by site-specific terrain features, without explicitly modeling the geometry of the wind farm terrain. The implemented adaptations were validated by comparing the simulated power predictions generated from FLORIS to the actual recorded wind farm output from the supervisory control and data acquisition (SCADA) recordings and large eddy simulations (LESs). When comparing the performance of the proposed heterogeneous model to homogeneous FLORIS simulations, the results show a 14.6 % decrease for mean absolute error (MAE) in wind farm power output predictions for cases using wind farm SCADA data and a 18.9 % decrease in LES case studies. The results of these studies also indicate that the efficacy of the proposed modeling techniques may vary with differing site-specific operational conditions. This work quantifies the accuracy of wind plant power predictions under heterogeneous flow conditions and establishes best practices for atmospheric surveying for wake modeling.

17 WIND ENERGY↗

Influence of Tundra Polygon Type and Climate Variability on CO 2 and CH 4 Fluxes Near Utqiagvik, Alaska

Arctic tundra has the potential to generate significant climate feedbacks, but spatial complexity makes it difficult to quantify the impacts of climate on ecosystem-atmosphere fluxes, particularly in polygonal tundra comprising wetter and drier polygon types on the scale of tens of meters. We measured CO 2 , CH 4 , and energy fluxes using eddy covariance for 7 yr (April to November, 2013–2019) in polygonal tundra near Utqiagvik, Alaska. This period saw the earliest snowmelt, latest snow accumulation, and hottest summer on record. To estimate fluxes by polygon type, we combined a polygon classification with a flux-footprint model. Methane fluxes were highest in the summer months but were also large during freeze-up and increased with the warming trend in August–November temperatures. While CO 2 respiration had a consistent, exponential relationship with temperature, net ecosystem exchange was more variable among years. CO 2 and CH 4 exchange (June–September) ranged between -0.83 (Standard error [SE] = 0.03) and -1.32 (SE = 0.04) μmol m -2 s-1 and 13.92 (SE = 0.26)—23.42 (SE = 0.45) nmol m -2 s -1 , respectively, and varied interannually (p ≤ 0.05). The maximum-influence method effectively attributed fluxes to polygon types. Areas dominated by low-centered polygons had higher CO 2 fluxes except in 2016–2017. Methane fluxes were highest in low-centered polygons 2013–2015 and in flat-centered polygons in subsequent years, possibly due to increasing temperature and precipitation. Sensible and latent heat fluxes also varied significantly among polygon types. Accurate characterization of Arctic fluxes and their climate dependencies requires spatial disaggregation and long term observations.

54 ENVIRONMENTAL SCIENCES↗

Spectral narrowing and broadening of Cr:ZnS/Se laser oscillation due to mode competition and spatial hole burning in the gain element

In this paper, we demonstrate the laser characterization of Cr:ZnS/Se polycrystalline gain media in non-selective unpolarized, linearly polarized, and twisted mode cavities. Lasers were based on post-growth diffusion-doped, commercially available antireflective-coated Cr:ZnSe and Cr:ZnS polycrystals with a length of 9 mm. The spectral output of lasers based on these gain elements in non-selective unpolarized and linearly polarized cavities was measured to be broadened to ∼20-50 nm due to the spatial hole burning (SHB) effect. SHB alleviation in the same crystals was realized in the “twisted mode” cavity, with linewidth narrowing to ∼80-90 pm. Both broadened and narrow-line oscillations were captured by adjusting the orientation of intracavity waveplates with respect to facilitated polarization.

47 OTHER INSTRUMENTATION↗

White-light interferometry for early-stage metal oxide growth characterization

Oxidation of metals can provide a functional oxide film or an oxide layer that can lead to material degradation causing performance limiting concerns. Because of the technological and economic impacts of oxidation, understanding early-stage oxidation growth and its mechanisms is of high importance. Unfortunately, poor empirical data during early-stage oxidation has left our current understanding of oxidation incomplete and woefully inadequate. Measurement techniques previously used for oxidation kinetics characterization include microbalance, x-ray diffraction, Fourier-transform infrared spectroscopy, and spectroscopic ellipsometry. However, these techniques lack the necessary time-resolution or vertical resolution in addition to not providing any spatial data, which is essential to early-stage oxidation studies to understand both oxidation kinetics and mechanisms. Here, a novel rapid and surface-sensitive data collection technique that provides three-dimensional spatial data of a growing oxide layer with sub-nanometer thickness resolution using white-light interferometry has been developed. This technique will be the first technique capable of providing real-time spatial results of early-stage oxidation growth. The effectiveness of this characterization tool is shown by observing the early-stage oxidation kinetics and film cracking of uranium heated to 90 °C under 500 torr of pure O 2 . Initially a parabolic oxidation growth is observed. Once the oxide layer reaches ≈ 30 nm, the epitaxial stresses between the uranium substrate and oxide film layer causes localized cracking in addition to the observed transition of the parabolic growth rate to a linear growth rate. The results of the white-light interferometry are verified by glancing incidence x-ray diffraction.

47 OTHER INSTRUMENTATION↗

A time-resolved imaging system for the diagnosis of x-ray self-emission in high energy density physics experiments

A diagnostic capable of recording spatially and temporally resolved x-ray self-emission data was developed to characterize experiments on the MAGPIE pulsed-power generator. The diagnostic used two separate imaging systems: a pinhole imaging system with two-dimensional spatial resolution and a slit imaging system with one-dimensional spatial resolution. The two-dimensional imaging system imaged light onto the image plate. The one-dimensional imaging system imaged light onto the same piece of image plate and a linear array of silicon photodiodes. This design allowed the cross-comparison of different images, allowing a picture of the spatial and temporal distribution of x-ray self-emission to be established. The design was tested in a series of pulsed-power-driven magnetic-reconnection experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗