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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 19 records

Perspectives in Scanning Probe Microscopy from the 2021 Joint International Scanning Probe Microscopy and Scanning Probe Microscopy on Soft and Polymeric Materials Conference

In March of 2020 we were well on our way to organizing and hosting one of the premier scanning probe microscopy (SPM) conferences in Breckenridge, Colorado, USA. For the first time, the meeting would synergistically combine International Scanning Probe Microscopy (ISPM) and Scanning Probe Microscopy on Soft and Polymeric Materials (SPMonSPM), to increase the breadth of audience expertise and experience. We coined the joint conference iSPM 3 – a moniker we hope will persist in future events. The plan for 2020 iSPM 3 screeched to a halt in mid-March, amidst the COVID-19 pandemic. Luckily, we were able to regroup and reimagine the conference for 2021 as a virtual experience. The conference took place June 28th to July 2nd with a mix of live and pre-recorded content. Spread throughout the week were 4 live panel discussions, 3 plenary talks, 23 invited talks, 75 contributed talks, 15 posters and 3 social events. The technical program represented much of the latest and most impactful research in the field. The panel discussions sought to step back from specific research findings and assess the state of SPM as it pertains to some of the most pressing opportunities and influential successes. The lively discussions painted a vibrant future for SPM in both breadth and detail, and we hope that similar discussion can be a mainstay of future SPM conferences. In this work, we attempt to distill some of that discussion to motivate researchers across the field of SPM in the coming years.

47 OTHER INSTRUMENTATION↗

Terrestrial laser scanning data (Levels 0 and 1) for Pasoh, Malaysia, Sep 2024

This data package contains data from terrestrial laser scanning (TLS) at the Pasoh Forest Reserve, Malaysia. The Pasoh Forest Reserve is a facility of the Forest Research Institute Malaysia, and contains evergreen lowland dipterocarp forest. The Next-Generation Ecosystem Experiments Tropics (NGEE-Tropics) study areas at Pasoh were established to study how different species respond to climatic variation and soil water availability. Two study areas were chosen representing different topography and species. The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree-level characterization of woody structure and leaf area for 12 focal trees with FloraPulse and sap flux sensors, facilitating estimation of woody biomass and leaf area to allow upscaling of water content and transpiration data to the tree-level. Scan positions were not selected to provide consistent data for non-focal trees with the study areas. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

Terrestrial laser scanning data (Levels 0 and 1) from Urban Biogeochemistry Pilot Project sites, Knoxville, Tennessee, Jul 2024 - Jul 2025

This data package contains data from terrestrial laser scanning (TLS) at five urban park sites in Knoxville, Tennessee, USA. All parks include open-grown and/or closed-canopy trees and mixed nearby land use. These study sites were established as part of the Urban Biogeochemistry Pilot Project, which has an overall goal of better understanding how hydrobiogeochemical cycling is altered within the human environment. These five sites represent a gradient of urbanization, and were instrumented to understand hydrological and biogeochemical cycling (e.g., soil moisture, soil physical properties and biogeochemistry, tree transpiration, species type). The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree- and stand-level characterization of woody structure and leaf area. TLS scans were placed to capture the area around trees with sap flow sensors, and as much of a 50 m radius area around the meteorological station as possible given site property limits. Derived products will allow upscaling of water content and transpiration data. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA

Recent regularization of the SCAN meta-GGA functional (rSCAN) has simplified the numerical complexities of the SCAN functional, alleviating SCAN's stringent demand on the numerical integration grids to some extent. The regularization of rSCAN, however, results in the breaking of some constraints such as the uniform electron gas limit, the slowly varying density limit, and coordinate scaling of the iso-orbital indicator. Here, we assess the effects of regularization on the electronic, structural, vibrational, and magnetic properties of molecules by comparing the SCAN and rSCAN predictions. The properties studied include atomic energies, atomization energies, ionization potentials, electron affinities, barrier heights, infrared intensities, dissociation and reaction energies, spin moments of molecular magnets, and isomer ordering of water clusters. Our results show that rSCAN requires less dense numerical grids and gives very similar results to those of SCAN for all properties examined with the exception of atomization energies, which are worsened in rSCAN. We also examine the performance of self-interaction-corrected (SIC) rSCAN with respect to SIC-SCAN using the Perdew–Zunger (PZ) SIC method. The PZSIC method uses orbital densities to compute one-electron self-interaction errors and places an even more stringent demand on numerical grids. Our results show that SIC-rSCAN gives marginally better performance than SIC-SCAN for almost all properties studied in this work with numerical grids that are on average half or less as dense as that needed for SIC-SCAN.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ka-Band Scanning ARM Cloud Radar (KASACR), 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross Mode (a1-level)

The Ka-Band Scanning ARM Cloud Radar (KASACR) records cloud properties. ARM's scanning cloud radars are dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (1.7 kW peak power) or an X-band (20 kW peak power). Beamwidths for Ka-bands paired with W-bands are roughly matched at 0.3 degrees. The X-band beamwidth is approximately 1 degree. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the KASACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the KASACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ratio. KASACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

Ka-Band Scanning ARM Cloud Radar (KASACR), 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross-Polarization Mode (a1-level)

The Ka-Band Scanning ARM Cloud Radar (KASACR) records cloud properties. ARM's scanning cloud radars are dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (1.7 kW peak power) or an X-band (20 kW peak power). Beamwidths for Ka-bands paired with W-bands are roughly matched at 0.3 degrees. The X-band beamwidth is approximately 1 degree. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the KASACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the KASACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ratio. KASACR data from the 2018–2019 Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina are now available as b1-level products. Building on the original CACTI operational data, the b1-level products feature improved data quality resulting from extensive analyses and corrections. The data are cross-calibrated to a common point, datastreams are corrected for operational issues that occurred during the campaign, and several data quality masks and basic derived products are incorporated. For more information, read the CACTI radar b1-level processing report.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Co-Polarization Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross-Polarization Model (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗

Fast Scanning Probe Microscopy via Machine Learning: Non-Rectangular Scans with Compressed Sensing and Gaussian Process Optimization

Fast scanning probe microscopy enabled via machine learning allows for a broad range of nanoscale, temporally resolved physics to be uncovered. However, such examples for functional imaging are few in number. Here, using piezoresponse force microscopy (PFM) as a model application, a factor of 5.8 reduction in data collection using a combination of sparse spiral scanning with compressive sensing and Gaussian process regression reconstruction is demonstrated. It is found that even extremely sparse spiral scans offer strong reconstructions with less than 6% error for Gaussian process regression reconstructions. Further, the error associated with each reconstructive technique per reconstruction iteration is analyzed, finding the error is similar past ≈15 iterations, while at initial iterations Gaussian process regression outperforms compressive sensing. Finally, this study highlights the capabilities of reconstruction techniques when applied to sparse data, particularly sparse spiral PFM scans, with broad applications in scanning probe and electron microscopies.

36 MATERIALS SCIENCE↗

Holistic scan optimization of nacelle-mounted lidars for inflow and wake characterization at the RAAW and AWAKEN field campaigns

In this article, we provide a methodological framework for designing the scanning strategies of nacelle-mounted scanning lidars for wind energy field experiments, and apply it at two major experimental field campaigns. For the Rotor Aerodynamics, Aeroelastics, and Wake project (RAAW), we leverage two scanning lidars on one turbine to characterize the incoming turbulence and the turbine wake. For the American WAKE experimeNt (AWAKEN), we use four scanning lidars on top of four turbines in a large wind power plant to investigate both individual wakes and wind-plant-scale flow features.

17 WIND ENERGY↗

Advances and Challenges of SCAN and r 2 SCAN Density Functionals in Transition‐Metal Compounds

ABSTRACT Transition‐metal compounds (TMCs) with open‐shell d ‐electrons are characterized by a complex interplay of lattice, charge, orbital, and spin degrees of freedom, giving rise to various fascinating applications. Often exhibiting exotic properties, these compounds are commonly classified as correlated systems due to strong inter‐electronic interactions called Hubbard U . This inherent complexity presents significant challenges to Kohn‐Sham density functional theory (KS‐DFT), the most widely used electronic structure method in condensed matter physics and materials science. While KS‐DFT is, in principle, exact for the ground‐state total energy, its exchange‐correlation energy must be approximated in practice. The mean‐field nature of KS implementations, combined with the limitations of current exchange‐correlation density functional approximations, has led to the perception that DFT is inadequate for correlated systems, particularly TMCs. Consequently, a common workaround involves augmenting DFT with an on‐site Hubbard‐like U correction. In recent years, the strongly constrained and appropriately normed (SCAN) density functional, along with its refined variant r 2 SCAN, has achieved remarkable progress in accurately describing the structural, energetic, electronic, magnetic, and vibrational properties of TMCs, challenging the traditional perception of DFT's limitations. This review explores the design principles of SCAN and r 2 SCAN, highlights their key advancements in studying TMCs, explains the mechanisms driving these improvements, and addresses the remaining challenges in this evolving field.

Zhang, Yubo [Minjiang Collaborative Center for The↗

Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional

Machine learning models are rapidly becoming widely used to simulate complex physicochemical phenomena with ab initio accuracy. Here, we use one such model as well as direct density functional theory (DFT) calculations to investigate the phase equilibrium of water, hexagonal ice (Ih), and cubic ice (Ic), with an eye toward studying ice nucleation. The machine learning model is based on deep neural networks and has been trained on DFT data obtained using the SCAN exchange and correlation functional. We use this model to drive enhanced sampling simulations aimed at calculating a number of complex properties that are out of reach of DFT-driven simulations and then employ an appropriate reweighting procedure to compute the corresponding properties for the SCAN functional. This approach allows us to calculate the melting temperature of both ice polymorphs, the driving force for nucleation, the heat of fusion, the densities at the melting temperature, the relative stability of ices Ih and Ic, and other properties. We find a correct qualitative prediction of all properties of interest. In some cases, quantitative agreement with experiment is better than for state-of-the-art semiempirical potentials for water. Furthermore, our results also show that SCAN correctly predicts that ice Ih is more stable than ice Ic.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tilted lidar profiling: Development and testing of a novel scanning strategy for inhomogeneous flows

The most common profiling techniques for the atmospheric boundary layer based on a monostatic Doppler wind lidar rely on the assumption of horizontal homogeneity of the flow. This assumption breaks down in the presence of either natural or human-made obstructions that can generate significant flow distortions. The need to deploy ground-based lidars near operating wind turbines for the American WAKE experimeNt (AWAKEN) spurred a search for novel profiling techniques that could avoid the influence of the flow modifications caused by the wind farms. With this goal in mind, two well-established profiling scanning strategies have been retrofitted to scan in a tilted fashion and steer the beams away from the more severely inhomogeneous region of the flow. Results from a field test at the National Renewable Energy Laboratory's 135-m meteorological tower show that the accuracy of the horizontal mean flow reconstruction is insensitive to the tilt of the scan, although higher-order wind statistics are severely deteriorated at extreme tilts mainly due to geometrical error amplification. A numerical study of the AWAKEN domain based on the Weather Research and Forecasting Model and large-eddy simulation are also conducted to test the effectiveness of tilted profiling. It is shown that a threefold reduction of the error on inflow mean wind speed can be achieved for a lidar placed at the base of the turbine using tilted profiling.

17 WIND ENERGY↗

X-ray diffraction, differential scanning calorimetry and evolved gas analysis of aged plutonium tetrafluoride (PuF4)

A 30 year-old PuF4 sample consisting of brown powder (PuF4-b) and pink granules (PuF4-p) was analyzed. X-ray difraction shows the bulk is comprised of three compounds: PuF4, PuO2, and PuF4·1.6H2O. Broadening of PuF4 XRD peaks suggests possible a-damage. After annealing at 650 °C, crystalline PuF4 and PuO2 remain. Thermogravimetric analysis and diferential scanning calorimetry—with simultaneous evolved gas analysis—of the separated PuF4-p and PuF4-b components reveal a distinct sequence of reactions. Dehydration occurs between~90 and 300 °C. Exothermic annealing of the a-damage occurs in two stages: at 350–355 °C and at 555–558 °C. Hydrofuoric acid, fuorine and helium desorb during the frst exotherm. Above 700 °C, PuF4 reacts with PuO2, resulting in oxygen release and mass loss.

PuF4, dsc, differential scanning calorimetry, plut↗

Investigating Fast Scanning Calorimetry and Differential Scanning Calorimetry as Screening Tools for Thermoset Polymer Material Compatibility with Laser-Based Powder Bed Fusion

As additive manufacturing (AM) technology has developed and progressed, a constant topic of research in the area is expanding the library of materials to be used with these techniques. Among AM methods that utilize polymers, laser-based powder bed fusion (PBF-LB) has preferentially used thermoplastic polymers as its starting materials, but the deposition and material joining method employed in PBF-LB may also be compatible with powdered thermoset polymer precursors as feedstocks. To assess the compatibility of candidate thermosetting polymers and PBF-LB, characterization techniques and protocols that link fundamental material behavior to material behavior in the processing environment are needed. Therefore, the objectives of this work are to compare the curing behavior measured with two different calorimetry techniques that can operate in different heating rate regimes, differential scanning calorimetry (DSC) and fast scanning calorimetry (FSC), and to assess the capabilities of these techniques to act as materials screening tools for PBF-LB. A commercial polyester powder coating is used as a model material to evaluate the potential of obtaining complimentary information for material screening through a combination of calorimetry methods, and its non-isothermal curing behavior is measured at heating rates between 5 °C/min and 7500 °C/min. Curing exotherms are observed with both calorimetry techniques, and comparing the enthalpy associated with curing shows that incomplete curing occurs at higher heating rates, with relative conversion values of approximately 30%. The curing data are fit with two isoconversional models, Friedman and Starink, which show a reduced activation energy at higher heating rates as well, signifying a lower barrier to curing at the conditions used in the FSC experiments. Overall, the results of this work indicate that using these two calorimetry techniques as tiered screening tools can provide valuable information about how curing may proceed in PBF-LB and inform materials selection and design activities for additive manufacturing.

36 MATERIALS SCIENCE↗