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DOE OSTI2022

Synchrotron-based techniques for characterizing STCH water-splitting materials

Understanding the role of oxygen vacancy–induced atomic and electronic structural changes to complex metal oxides during water-splitting processes is paramount to advancing the field of solar thermochemical hydrogen production (STCH). The formulation and confirmation of a mechanism for these types of chemical reactions necessitate a multifaceted experimental approach, featuring advanced structural characterization methods. Synchrotron X-ray techniques are essential to the rapidly advancing field of STCH in part due to properties such as high brilliance, high coherence, and variable energy that provide sensitivity, resolution, and rapid data acquisition times required for the characterization of complex metal oxides during water-splitting cycles. X-ray diffraction (XRD) is commonly used for determining the structures and phase purity of new materials synthesized by solid-state techniques and monitoring the structural integrity of oxides during water-splitting processes (e.g., oxygen vacancy–induced lattice expansion). X-ray absorption spectroscopy (XAS) is an element-specific technique and is sensitive to local atomic and electronic changes encountered around metal coordination centers during redox. While in operando measurements are desirable, the experimental conditions required for such measurements (high temperatures, controlled oxygen partial pressures, and H 2 O) practically necessitate in situ measurements that do not meet all operating conditions or ex situ measurements. Here, we highlight the application of synchrotron X-ray scattering and spectroscopic techniques using both in situ and ex situ measurements, emphasizing the advantages and limitations of each method as they relate to water-splitting processes. The best practices are discussed for preparing quenched states of reduction and performing synchrotron measurements, which focus on XRD and XAS at soft (e.g., oxygen K-edge, transition metal L-edges, and lanthanide M-edges) and hard (e.g., transition metal K-edges and lanthanide L-edges) X-ray energies. The X-ray absorption spectra of these complex oxides are a convolution of multiple contributions with accurate interpretation being contingent on computational methods. The state-of-the-art methods are discussed that enable peak positions and intensities to be related to material electronic and structural properties. Through careful experimental design, these studies can elucidate complex structure–property relationships as they pertain to nonstoichiometric water splitting. A survey of modern approaches for the evaluation of water-splitting materials at synchrotron sources under various experimental conditions is provided, and available software for data analysis is discussed.

08 HYDROGEN↗

DOE OSTI2022

Correcting for filter-based aerosol light absorption biases at the Atmospheric Radiation Measurement program's Southern Great Plains site using photoacoustic measurements and machine learning

Abstract. Measurement of light absorption of solar radiation by aerosols is vital for assessing direct aerosol radiative forcing, which affects local and global climate. Low-cost and easy-to-operate filter-based instruments, such as the Particle Soot Absorption Photometer (PSAP), that collect aerosols on a filter and measure light attenuation through the filter are widely used to infer aerosol light absorption. However, filter-based absorption measurements are subject to artifacts that are difficult to quantify. These artifacts are associated with the presence of the filter medium and the complex interactions between the filter fibers and accumulated aerosols. Various correction algorithms have been introduced to correct for the filter-based absorption coefficient measurements toward predicting the particle-phase absorption coefficient (Babs). However, the inability of these algorithms to incorporate into their formulations the complex matrix of influencing parameters such as particle asymmetry parameter, particle size, and particle penetration depth results in prediction of particle-phase absorption coefficients with relatively low accuracy. The analytical forms of corrections also suffer from a lack of universal applicability: different corrections are required for rural and urban sites across the world. In this study, we analyzed and compared 3 months of high-time-resolution ambient aerosol absorption data collected synchronously using a three-wavelength photoacoustic absorption spectrometer (PASS) and PSAP. Both instruments were operated on the same sampling inlet at the Department of Energy's Atmospheric Radiation Measurement program's Southern Great Plains (SGP) user facility in Oklahoma. We implemented the two most commonly used analytical correction algorithms, namely, Virkkula (2010) and the average of Virkkula (2010) and Ogren (2010)–Bond et al. (1999) as well as a random forest regression (RFR) machine learning algorithm to predict Babs values from the PSAP's filter-based measurements. The predicted Babs was compared against the reference Babs measured by the PASS. The RFR algorithm performed the best by yielding the lowest root mean square error of prediction. The algorithm was trained using input datasets from the PSAP (transmission and uncorrected absorption coefficient), a co-located nephelometer (scattering coefficients), and the Aerosol Chemical Speciation Monitor (mass concentration of non-refractory aerosol particles). A revised form of the Virkkula (2010) algorithm suitable for the SGP site has been proposed; however, its performance yields approximately 2-fold errors when compared to the RFR algorithm. To generalize the accuracy and applicability of our proposed RFR algorithm, we trained and tested it on a dataset of laboratory measurements of combustion aerosols. Input variables to the algorithm included the aerosol number size distribution from the Scanning Mobility Particle Sizer, absorption coefficients from the filter-based Tricolor Absorption Photometer, and scattering coefficients from a multiwavelength nephelometer. The RFR algorithm predicted Babs values within 5 % of the reference Babs measured by the multiwavelength PASS during the laboratory experiments. Thus, we show that machine learning approaches offer a promising path to correct for biases in long-term filter-based absorption datasets and accurately quantify their variability and trends needed for robust radiative forcing determination.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Uranus occults SAO158687

Experience gained in obtaining atmospheric parameters, oblatenesses, and diameters of Jupiter and Mars from recent stellar occultations by these planets is used to predict what can be learned from the March 1977 occultation of the star SAO158687 by Uranus. The spectra of this star and Uranus are compared to indicate the relative instrument intensities of the two objects, the four passbands where the relative intensities are most nearly equal are listed, and expected photon fluxes from the star are computed on the assumption that it has UBVRI colors appropriate for a K5 main-sequence object. It is shown that low photon noise errors can be achieved by choosing appropriate passbands for observation, and the rms error expected for the Uranus temperature profiles obtained from the occultation light curves is calculated. It is suggested that observers of this occultation should record their data digitally for optimum time resolution.

Elliot, J. L.↗

NASA NTRS1977

The Mechanics of Atmospheric Systems Derived Through Vertical and Horizontal Analysis of Parametric Data

For 36 hours during April 1975, an atmospheric variability experiment was conducted. This research effort supported an observational program in which rawinsonde data, radar data, and satellite data were collected from a network of 42 stations east of the Rocky Mountains at intervals of 3 hours. This program presents data with a high degree of time resolution over a spatially and temporally extensive network. Reduction of the experiment data is intended primarily as a documentation of the checking and processing of the data and should be useful to prospective users. Various flow diagrams of the data processing procedures are described, and a complete summary of the formulas used in the data processing is provided. A wind computation scheme designed to extract as much detailed wind information as possible from the unique experiment data set is discussed. The accuracy of the thermodynamic and wind data were estimated. Errors in the thermodynamic and wind data are given.

Turner, R. E.↗

NASA NTRS1979

The Urbana coherent-scatter radar: Synthesis and first results

A coherent scatter radar system was synthesized and several hundred hours of echo power and line of sight velocity data obtained. The coherent scatter radar utilizes a diode array and components from meteor radar. The receiving system permits a time resolution of one minute in the data. Echo power from the D region shows a high degree of variability from day to day. Examples of changes in power level at shorter time scales are observed. Velocity data show the existence of gravity waves and occasionally exhibit vertical standing wave characteristics.

Gibbs, K. P.↗

NASA NTRS1979

Assessment of the urban heat island effect through the use of satellite data

A recent NASA satellite is obtaining high spatial resolution thermal infrared data at times of day appropriate for the study of the urban heat island effect. Quantitative estimates of the extent and intensity of urban surface heating are obtained by analysis of digital data acquired over the New York City-New England area. In many large cities satellite sensed temperatures are 10-15 C warmer than in surrounding rural areas. A thorough interpretation of the elevated urban surface temperature will require studies of (1) the relationship between remotely sensed surface temperatures and air temperatures, and (2) compensation for observed very localized heating due to industry and/or power plants.

Price, J. C.↗

NASA NTRS1980

X-ray evidence of coronal preflare emission

Soft X-ray images from the Skylab AS&E telescopes are used to determine whether systematic preflare X-ray brightenings exist either at the flare site or in adjacent parts of the active region, the characteristics of such brightenings, and their implications for the theory of preflare coronal conditions. A statistical study is given of preflare X-ray events, along with an analysis of the best observed events, including comparisons with high time resolution H-alpha data. It is concluded that a majority of the flares studied may have X-ray preflare features, which were typically not at the flare site, but rather adjacent to the active region neutral line. A single feature was evident in most of the preflare events.

Webb, D. F.↗

NASA NTRS1990

A study of the coherence length of ULF waves in the earth's foreshock

High-time-resolution magnetic-field data for different separations of ISEE 1 and 2 in the earth's ion foreshock region are examined to study the coherence length of upstream ULF waves. Examining the correlation coefficients of the low-frequency waves as a function of separation distance shows that the correlation coefficient depends mainly on the separation distance of ISEE 1 and 2 transverse to the solar-wind flow. It drops to about 0.5 when the transverse separation is about 1 earth radius, a distance much larger than the proton thermal gyroradius in the solar wind. Thus the coherence length of the low-frequency waves is about one earth radius, which is of the order of the wavelength, and is consistent with that estimated from the bandwidth of the waves.

Le, G.↗

NASA NTRS1993

MR-CDF: Managing multi-resolution scientific data

MR-CDF is a system for managing multi-resolution scientific data sets. It is an extension of the popular CDF (Common Data Format) system. MR-CDF provides a simple functional interface to client programs for storage and retrieval of data. Data is stored so that low resolution versions of the data can be provided quickly. Higher resolutions are also available, but not as quickly. By managing data with MR-CDF, an application can be relieved of the low-level details of data management, and can easily trade data resolution for improved access time.

Salem, Kenneth↗

NASA NTRS1993

Demonstration of Fabry-Perot interferometric spectrometry technology

As rocket engine components experience wear or failure, anomalous materials may be entrained in the plume. Historically, visible plume anomalies have preceded many rocket engine failures, some of which have been catastrophic. Development of a small, rugged, high-speed, high resolution Fabry-Perot interferometer (FPI) based spectrometer capable of detecting the spectral signatures of eroding engine components during rocket engine test and/or flight operations is described. An operational plume spectrometer fabricated with miniaturized optics has been successfully tested. An extensive test series was conducted to define the limits of the spectrometer with respect to time-response and resolution. The data collected during testing were correlated with measurements obtained using sensitive ground equipment in order to benchmark the spectrometer's performance against a known device. The FPI demonstrated the reliability required for a flight instrument by functioning satisfactorily at or near the rocket engine test stand environment. Several of the optical components are interchangeable, allowing collection of a greater variety of plume signals. Also, the FPI's high resolution capabilities suggest it is suitable for application to both absorption and emission spectroscopy.

Petersen, T. V.↗

NASA NTRS1993

Coherence lengths of upstream ULF waves - Dual ISEE observations

We have used high time resolution simultaneous magnetic field data from the dual ISEE spacecraft to study the coherence lengths of upstream ULF waves. We examine the cross-correlation between ISEE 1 and 2 observations for different spacecraft separations and determine the coherence lengths for upstream 30-second waves, 3-second waves, and one-Hz waves. We find that the observed coherence lengths are consistent with those estimated from the bandwidth of the spectral peak and that these lengths vary markedly from less than 100 km to over 1 R(E). In order to study all these wave phenomena, a multiple spacecraft mission such as the upcoming ESA Cluster mission would need to be capable of assuming a wide variety of possible separations.

Le, G.↗

NASA NTRS2003

Search for 1-10 Hz Modulations in Coronal Emission with SECIS During the August 11, 1999 Eclipse

Results of the search of the periodic changes of the 530.3 nm line intensity emitted by selected structures of the solar corona in the frequency range 1-10 Hz are presented. A set of 12728 images of the section of the solar corona extending from near the north pole to the south-west were taken simultaneously in the 530.3 nm ('green') line and white-light with the Solar Eclipse Coronal Imaging System (SECIS) during the 143-seconds-long totality of the 1999 August 11 solar eclipse observed in Shabla, Bulgaria. The time resolution of the collected data is better than 0.05-s and the pixel size is approximately 4 arcsecs. Using classical Fourier spectral analysis tools, we investigated temporal changes of the local 530.3 nm coronal line brightness in the frequency range 1-10 Hz of thousands of points within the field of view. The various photometric and instrumental effects have been extensively considered. We did not find any indisputable, statistically significant evidence of periodicities in any of the investigated points (at significance level alpha = 0.05 or better).

Rudawy, P.↗

DOE OSTI2024

Visualization Within the Department of Energy: NREL IEEE VIS Application Spotlight

This presentation highlights the role of advanced visualization techniques at the National Renewable Energy Laboratory (NREL) in supporting cutting-edge research across diverse energy domains. From immersive analytics and uncertainty visualization to high-resolution and real-time data analysis, NREL's visualization capabilities enable scientists to explore complex datasets more effectively. These tools are critical for advancing research in materials science, renewable energy technologies, biofuels, electric vehicle infrastructure, energy efficiency - from industrial processes to entire communities - and then bringing these innovations to practice through energy systems integration. NREL's visualization tools drive innovation across renewable energy and grid modernization efforts by providing deeper insights and improving decision-making.

grid modernization↗

NASA NTRS2018

GMI-IPS: Python Processing Software for Aircraft Campaigns

NASA's Atmospheric Tomography Mission (ATom) seeks to understand the impact of anthropogenic air pollution on gases in the Earth's atmosphere. Four flight campaigns are being deployed on a seasonal basis to establish a continuous global-scale data set intended to improve the representation of chemically reactive gases in global atmospheric chemistry models. The Global Modeling Initiative (GMI), is creating chemical transport simulations on a global scale for each of the ATom flight campaigns. To meet the computational demands required to translate the GMI simulation data to grids associated with the flights from the ATom campaigns, the GMI ICARTT Processing Software (GMI-IPS) has been developed and is providing key functionality for data processing and analysis in this ongoing effort. The GMI-IPS is written in Python and provides computational kernels for data interpolation and visualization tasks on GMI simulation data. A key feature of the GMI-IPS, is its ability to read ICARTT files, a text-based file format for airborne instrument data, and extract the required flight information that defines regional and temporal grid parameters associated with an ATom flight. Perhaps most importantly, the GMI-IPS creates ICARTT files containing GMI simulated data, which are used in collaboration with ATom instrument teams and other modeling groups. The initial main task of the GMI-IPS is to interpolate GMI model data to the finer temporal resolution (1-10 seconds) of a given flight. The model data includes basic fields such as temperature and pressure, but the main focus of this effort is to provide species concentrations of chemical gases for ATom flights. The software, which uses parallel computation techniques for data intensive tasks, linearly interpolates each of the model fields to the time resolution of the flight. The temporally interpolated data is then saved to disk, and is used to create additional derived quantities. In order to translate the GMI model data to the spatial grid of the flight path as defined by the pressure, latitude, and longitude points at each flight time record, a weighted average is then calculated from the nearest neighbors in two dimensions (latitude, longitude). Using SciPya's Regular Grid Interpolator, interpolation functions are generated for the GMI model grid and the calculated weighted averages. The flight path points are then extracted from the ATom ICARTT instrument file, and are sent to the multi-dimensional interpolating functions to generate GMI field quantities along the spatial path of the flight. The interpolated field quantities are then written to a ICARTT data file, which is stored for further manipulation. The GMI-IPS is aware of a generic ATom ICARTT header format, containing basic information for all flight campaigns. The GMI-IPS includes logic to edit metadata for the derived field quantities, as well as modify the generic header data such as processing dates and associated instrument files. The ICARTT interpolated data is then appended to the modified header data, and the ICARTT processing is complete for the given flight and ready for collaboration. The output ICARTT data adheres to the ICARTT file format standards V1.1. The visualization component of the GMI-IPS uses Matplotlib extensively and has several functions ranging in complexity. First, it creates a model background curtain for the flight (time versus model eta levels) with the interpolated flight data superimposed on the curtain. Secondly, it creates a time-series plot of the interpolated flight data. Lastly, the visualization component creates averaged 2D model slices (longitude versus latitude) with overlaid flight track circles at key pressure levels. The GMI-IPS consists of a handful of classes and supporting functionality that have been generalized to be compatible with any ICARTT file that adheres to the base class definition. The base class represents a generic ICARTT entry, only defining a single time entry and 3D spatial positioning parameters. Other classes inherit from this base class; several classes for input ICARTT instrument files, which contain the necessary flight positioning information as a basis for data processing, as well as other classes for output ICARTT files, which contain the interpolated model data. Utility classes provide functionality for routine procedures such as: comparing field names among ICARTT files, reading ICARTT entries from a data file and storing them in data structures, and returning a reduced spatial grid based on a collection of ICARTT entries. Although the GMI-IPS is compatible with GMI model data, it can be adapted with reasonable effort for any simulation that creates Hierarchical Data Format (HDF) files. The same can be said of its adaptability to ICARTT files outside of the context of the ATom mission. The GMI-IPS contains just under 30,000 lines of code, eight classes, and a dozen drivers and utility programs. It is maintained with GIT source code management and has been used to deliver processed GMI model data for the ATom campaigns that have taken place to date.

Damon, M. R.↗

NASA NTRS1989

Observations of winter polynyas and fractures using NOAA AVHRR TIR images and Nimbus-7 SMMR sea ice concentration charts

The validity of the daily sea ice concentration charts obtained from Nimbus-7 SMMR data is tested against thermal IR NOAA AVHRR-4 images with a 1.1 x 1.1 km resolution. Polynyas and fractures recorded in both data sets are compared for the same times over the same areas. Although the coarser resolution of SMMR data leads to a loss of detail, it is found that the ice concentration charts provide valuable data on openings in the ice. The SMMR data on the location, orientation, and size of polynyas and fractures are shown to be in good agreement with the AVHRR data. Also, the results suggest that the location and orientation of plynyas and fractures are related to the direction of surface winds.

Dey, B.↗

NASA NTRS2008

Combined Impedance Probe and Langmuir Probe Studies of the Low-Latitude E Region

The EQUIS-2 sounding rocket and radar campaign, launched from Kwajalein Atoll in 2004, included a mission to study low-latitude irregularities and electrodynamics, led by NASA GSFC. This mission included two instrumented rockets launched into the nighttime E region (apogee near 120 km), which included comprehensive electrodynamics and neutral density instrumentation. These rockets carried the first of a new generation of impedance probes, that utilize a wide-band drive signal to simultaneously measure the impedance of an antenna in a plasma as a function of frequency from 7 kEIz to 4 MHz. at a rapid cadence. This technique promises to permit true plasma spectroscopy, and resulted in the identification of multiple plasma resonances and accurate measurements of the plasma density, even in the low density nighttime E region. We present analyses of the technique and resulting spectra, and show how these data may be combined with fixed-bias Langmuir Probe data to infer the temperature structure of the E region as well as providing accurate absolute calibrations for the very high time resolution fixed-bias probe data. The data is shown to agree well with data from ionosonde, the ALTAIR radar, and the Peruvian beacon experiment.

Rowland, D. E.↗

DOE OSTI2023

SAIL-Net Raw and Post Corrected POPS Data Fall 2021 - Summer 2023

SAIL-Net is a DOE funded project in the East River Watershed near Crested Butte, Colorado with the goal of advancing our understanding of aerosol-cloud interactions in complex, mountainous regions. Through the deployment of a network of six low cost microphysics nodes in Fall 2021 in the same domain at the SAIL campaign, SAIL-Net provides data on aerosol size distributions, cloud condensation nuclei (CCN), and ice nucleation particles (INP). This network enables the investigation of small-scale variations in complex terrain. Two datasets are provided - one containing raw data and the other containing post-corrected data. The raw dataset provides the raw data recorded from the POPS which were deployed at each of the six sites. These data are organized by site and broken down into daily data files. The six site names used here are: “gothic”, “irwin”, “cbtop”, “cbmid”, “pumphouse”, and “snodgrass”. These data are not cleaned or post-corrected, but some flags have been added. The data are reported at 1 second time resolution. The post-corrected dataset provides the post-corrected and cleaned data recorded from the POPS which were deployed at each of the six sites. This data are also organized by site (same as those found in the raw data) and broken down into daily data files. Unlike the raw POPS data, these data have already been cleaned to remove what we believe are bad values. These data should be ready to use with no cleaning. For a full description of the cleaning and post-correction process, see the readme.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2011

High-Performance Wireless Telemetry

Prior technology for machinery data acquisition used slip rings, FM radio communication, or non-real-time digital communication. Slip rings are often noisy, require much space that may not be available, and require access to the shaft, which may not be possible. FM radio is not accurate or stable, and is limited in the number of channels, often with channel crosstalk, and intermittent as the shaft rotates. Non-real-time digital communication is very popular, but complex, with long development time, and objections from users who need continuous waveforms from many channels. This innovation extends the amount of information conveyed from a rotating machine to a data acquisition system while keeping the development time short and keeping the rotating electronics simple, compact, stable, and rugged. The data are all real time. The product of the number of channels, times the bit resolution, times the update rate, gives a data rate higher than available by older methods. The telemetry system consists of a data-receiving rack that supplies magnetically coupled power to a rotating instrument amplifier ring in the machine being monitored. The ring digitizes the data and magnetically couples the data back to the rack, where it is made available. The transformer is generally a ring positioned around the axis of rotation with one side of the transformer free to rotate and the other side held stationary. The windings are laid in the ring; this gives the data immunity to any rotation that may occur. A medium-frequency sine-wave power source in a rack supplies power through a cable to a rotating ring transformer that passes the power on to a rotating set of electronics. The electronics power a set of up to 40 sensors and provides instrument amplifiers for the sensors. The outputs from the amplifiers are filtered and multiplexed into a serial ADC. The output from the ADC is connected to another rotating ring transformer that conveys the serial data from the rotating section to the stationary section. From there, a cable conveys the serial data to the remote rack, where it is reconditioned to logic level specifications, de-serialized, and converted back to analog. In the rotating electronics are code generators to indicate the beginning of files for data synchronization.

Griebeler, Elmer↗