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At least 343 records · Page 19

Mapped Moments to a Cartesian Grid (MMCG) Value-Added Product Report

Objective analysis (OA) is a method of mapping unstructured data to a structured grid. In the context of scanning radar data, OA is used to interpolate data in antenna coordinates (range, azimuth, and elevation) onto a regularly spaced Cartesian grid (Trapp and Doswell 2000). The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Mapped Moments to a Cartesian Grid (MMCG) Value-Added Product (VAP) uses the Python ARM Radar Toolkit (Py-ART), a data model-driven interactive architecture for working with weather radar data, to map the data to a Cartesian grid (Helmus and Collis 2016). MMCG, with Py-ART built in, has the ability to take radar data in antenna coordinates and map the gates to a Cartesian grid using inverse distance weight functions such as Cressman (square) and Barnes (exponential), but also can filter the data during the interpolation. MMCG also allows arbitrary formulations for the radius of influence, which are matched to particular radar scanning strategies. This creates a complex parameter space for optimizing the retention of storm structure detail while minimizing artifacts. MMCG takes data processed with ARM’s Corrected Precipitation Radar Moments in Antenna Coordinates (CMAC) VAP and maps it to a Cartesian grid as the output product. A variety of fields that have been mapped to the Cartesian grid are then saved to plots to complement each grid file.

54 ENVIRONMENTAL SCIENCES↗

MWRRETV2 Value-Added Product Report: The Retrieval of Liquid Water Path and Precipitable Water Vapor from Microwave Radiometer – 3-Channel (MWR3C) Data Sets

This report provides a short description of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility Microwave Radiometer – 3-Channel (MWR3C) Retrieval (MWRRETV2) Value-Added Product (VAP) algorithm. MWRRETV2 is an updated version of MWRRET, which extends the physical-iterative retrieval of liquid water path (LWP) and precipitable water vapor PWV) to 3-channel microwave radiometers beyond ARM's original standard 2-channel (23-and 31-GHz) systems. The 89-GHz channel in the 3-channel microwave radiometers has approximately three times the sensitivity to liquid water as the 31-GHz channel, thus improving LWP retrieval accuracy when LWP is less than 100 g/m2. We present a general overview of the technique, input parameters, and output products, and describe data quality checks.

47 OTHER INSTRUMENTATION↗

Retrieving Point Cloud of Cloud Points (PCCP) Value-Added Product from Stereo Cameras

In this report, we refer to a pair of cameras that capture synchronized pictures with overlapping fields of view (FOV) as a stereo pair. Each stereo pair independently performs a stereo reconstruction of cloud points. Currently, there are three U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility stereo pairs (six cameras in total) positioned around the Southern Great Plains (SGP) observatory’s Central Facility (CF; Romps and Oktem 2017). Time-synchronized pictures from the two cameras in a stereo pair can be paired together to obtain a three-dimensional (3D) reconstruction of feature points by triangulation. This document explains how we use ARM stereo cameras and stereophotogrammetric principles to generate the Point Cloud of Cloud Points (PCCP) Value-Added Product (VAP). The PCCP VAP is essentially a set of 3D positions representing the locations of cloud features in the sky. Thousands of cloud features can be reconstructed instantly in each stereo pair's FOV, which covers an area of tens of square kilometers. Cloud base and cloud top heights can be extracted from the PCCP product.

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Description of the Three-Dimensional Large-Scale Forcing Data from the 3D Constrained Variational Analysis (VARANAL3D)

This technical report introduces a Three-Dimensional Constrained Variational Analysis (3DCVA) (Tang and Zhang 2015) and its product of three-dimensional large-scale forcing data to drive single-column models (SCM), cloud-resolving models (CRM), and large-eddy simulation (LES) models, and to evaluate model results. The 3DCVA algorithm is an extension of the original 1D constrained variational analysis (1DCVA) (Zhang and Lin 1997, Zhang et al. 2001). The three-dimensional structure of the forcing data allows studies of spatial variation of the large-scale forcing fields and tests of physical parameterizations across scales. In the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility, the 3D forcing data are assigned the datastream name varanal3d. In this technical report, 3DCVA will be used to refer to the algorithm, while VARANAL3D will be used to refer to the data product.

54 ENVIRONMENTAL SCIENCES↗

Aerosol Chemical Speciation Monitor (ACSM) Composition-Dependent Collection Efficiency (CDCE) Value-Added Product Report

Aerosol particles influence the Earth’s radiation balance directly by absorbing and scattering light and indirectly by influencing cloud formation, properties, and lifetimes. Measurements of aerosol particle optical properties, mass loading, size distributions, microphysical properties, cloud formation properties, and chemical composition are important for understanding the aerosol life cycle and for validating earth system models that predict these quantities. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Aerosol Observing System (AOS) is a highly instrumented platform that measures many of these aerosol properties in situ. The Aerodyne aerosol chemical speciation monitor (ACSM) is a baseline instrument deployed in the AOS. The ACSM provides a quantitative measurement of aerosol particle chemical composition for non-refractory (operationally defined as components that evaporate on the 600ºC vaporizer) aerosol components in real time. Standard output is the mass concentration of particulate organics, nitrate, sulfate, chloride, and ammonium. One well-known limitation to the accuracy of the ACSM data is in evaluating the fraction of the ambient aerosol particles that are detected by the instrument. This quantity is referred to as the collection efficiency (CE) and is often less than unity. This is attributed to particles rebounding after impaction onto the heated vaporizer rather than being trapped, volatilized rapidly, and detected. Other factors, such as divergence of the aerosol particle beam, may also impact CE, but the particle rebound effect is the dominant factor. Scientists will sometimes assume CE = 0.5 (i.e., one half of sampled particles are detected) for ambient particles collected during field missions. However, parameterizations have been developed that express CE as a function of the measured chemical composition, referred to as the composition-dependent collection efficiency (CDCE). The physical explanation for a CDCE, supported by laboratory studies, is that rebound from the vaporizer is a function of the particle phase, with liquid-like particles “sticking” to the vaporizer and solid-like or crystalline particles “bouncing” from the vaporizer. Thus, particles with compositions are liquids-like under the measurement conditions (e.g., certain organics, acidic particles, particles enriched in nitrate) have CE close to unity while crystalline or solid particles (e.g., deliquesced ammonium sulfate) have lower CE. This value-added product (VAP) implements the procedure described by Middlebrook et al. (2012) to correct the ACSM data for the composition-dependent collection efficiency. Applying this parameterization improves the accuracy of the ACSM data and brings them into better agreement with other co-located aerosol measurements.

54 ENVIRONMENTAL SCIENCES↗

Rapid Simulation of Irradiation Damage in PWR Internals (NSUF 2019 Milestone Report)

This document summarizes the progress made by Oak Ridge National Laboratory (ORNL) in collaboration with the University of Michigan on “Rapid Simulation of Irradiation Damage in PWR Internals,” a research project led by the University of Michigan and supported by US Department of Energy Office of Nuclear Energy Nuclear Science User Facilities Consolidated Innovative Nuclear Research program. In this reporting period, samples that were exposed to combined neutron and ion irradiation were prepared and shipped to the University of Michigan for further analysis. This report summarizes the specimen preparation performed at ORNL’s Low Activation Materials Development and Analysis facility. The benchmarking work of microstructural characterization on reactor-irradiated samples with different dose levels was completed.

36 MATERIALS SCIENCE↗

Cloud Droplet Measurement System for the ARM Tethered Balloon System (TBS) Field Campaign Report

The Mesa Photonics' cloud droplet measurement system (CDMS) performs in situ measurement of droplet size distribution and droplet number density in clouds. These characteristics are important cloud microphysical properties that are critical input parameters for atmospheric models and are also useful for proper calibration and validation of performance of other atmospheric measurement instrumentation. This small campaign was the first project (out of two) that involved integration of the CDMS into the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s tethered balloon system (TBS) and its initial testing at the ARM Southern Great Plains (SGP) atmospheric observatory. The follow-up campaign (AFC07016) involved testing of the CDMS under relevant conditions at the third ARM Mobile Facility (AMF3) at Oliktok Point, Alaska and making in situ measurements in clouds. The goal of this small field campaign was to deploy the CDMS on the ARM TBS, demonstrate its integrity and compatibility with the TBS, and test the wireless telecommunication system in preparation for subsequent in-cloud measurements at ARM’s North Slope of Alaska (NSA) observatory at Utqiagvik (formerly Barrow). The specific technical objectives included: (1) Integration of the Mesa Photonics' CDMS into the ARM TBS, (2) testing of the wireless telecommunication system of the CDMS, (3) evaluating the data acquisition software and image processing algorithms especially under high-background-illumination conditions, and (4) testing the ruggedness of the instrument's optical alignment and other performance characteristics. All objectives have been successfully met. The mounting hardware was designed and built mostly at Sandia National Laboratories (SNL), which allowed reliable mounting of the CDMS on the TBS and co-locating the CDMS with other instruments. The field tests were performed by the principal investigator (PI) in collaboration with the TBS operational crew led by D. Dexheimer. The field testing demonstrated good compatibility of the CDMS with the TBS. During the TBS flights, the crew did not experience any operational issues with the CDMS. The instrument demonstrated reliable operational characteristics, including sufficient battery life and good thermal management. The wireless telecommunication system has been successfully tested at TBS flight altitudes of up to 1000 m. During all flights, the CDMS raw data were wirelessly transmitted to the ground station and processed in real time. The ruggedness of the instrument's optical alignment was evaluated by performing calibration of the CDMS (using Mesa Photonics' fixed-size monodisperse droplet generator) before and after the campaign. The calibration was stable within the instrument's measurement precision. In summary, the campaign demonstrated good compatibility of the Mesa Photonics' CDMS with the ARM TBS. The flight tests confirmed the mechanical integrity of the CDMS and stability of its optical layout, as well as reliability of the wireless telecommunication system. Successful completion of this campaign provided a solid basis for the next campaign (AFC07016, November 2020), that involved testing of the CDMS during in-cloud TBS flights at AMF3 at Oliktok Point.

54 ENVIRONMENTAL SCIENCES↗

Cloud Condensation Nuclei Hygroscopicity Value-Added Product Report

The purpose of the Atmospheric Radiation Measurement (ARM) user facility’s cloud condensation nuclei hygroscopicity parameter (AOSCCNSMPSKAPPA) value-added product (VAP) is to calculate the hygroscopicity parameter, kappa, to quantify the ability of aerosols to activate into cloud water droplets. The hygroscopicity parameter is often used to model the cloud condensation nuclei (CCN) activity of atmospheric aerosols of different sizes and compositions, providing additional insight on the influence of aerosols on climate. Laboratory experiments show that the kappa values for highly hygroscopic aerosols, such as salts and sulfates, vary from 0.5 to 1.4 (Petters and Kreidenweis 2007). For organic compounds they are observed to vary between 0.01 and 0.5. For non-hygroscopic aerosols, such as soot, kappa values are very close to zero. Ambient aerosols are complex mixtures of organic and inorganic compounds and previous observations indicate that kappa values typically vary from 0.05 to 0.9 (Petters and Kreidenweis 2007).

54 ENVIRONMENTAL SCIENCES↗

Next-Generation Video Ice Particle Sampler Field Campaign Report

The next-generation video ice particle sampler (ngVIPS) was operated on the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s tethered balloon system (TBS) during the IFFExO (Ice Fog Field Experiment at Oliktok Point) project in November, 2020. The purpose of the project was to study ice fog microphysics and the environmental conditions during ice fog to enable better predictions during low-visibility conditions. This project was conducted at the site of the third ARM Mobile Facility (AMF3) at Oliktok Point, Alaska. Among a suite of other instruments, the ngVIPS was operated to observe atmospheric ice particles.

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Analysis of Three Types of Collocated Disdrometer Measurements at the ARM Southern Great Plains Observatory

To better provide U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s disdrometer deployment strategy and support ARM precipitation-related projects, this study analyzes 18 months of drop size distribution (DSD) observations from six collocated disdrometers deployed at the ARM Southern Great Plains (SGP) site. Emphasis is placed on quantifying the uncertainties related to DSD and rainfall properties using different types of disdrometers and different pairing concepts. The instrument sampling errors are also discussed, which improves our understanding of instrument-specific impacts on rainfall measurements. The key findings are as follows: 1) All the disdrometers show consistent behaviors overall regarding accumulated precipitation, mean rainfall rate, DSD parameters, and radar reflectivity values; and 2) Strong agreement is shown between three disdrometer types in terms of their DSDs for mid-size drop range (D = 1 mm-4 mm). The two-dimensional video disdrometer performance meets expectations as the most accurate unit among all. The paired disdrometer shows a reduced statistical sampling error in terms of drop counts and other DSD properties. A concept of deploying two or more collocated disdrometers side by side is recommended for future ARM field campaigns.

54 ENVIRONMENTAL SCIENCES↗

Examining the Ice Nucleating Particles from Southern Great Plains Part II (ExINP-SGP). Field Campaign Report

Knowledge of airborne particulate matter (PM), especially the particles that have supermicron diameters, is key for understanding ice-nucleating particles (INPs). Supported by the Atmospheric Radiation Measurement (ARM) user facility, recent INP measurements at the Southern Great Plains observatory (SGP; 36'' 36' 18→ N, 97° 29' 6'' W) during multiple campaigns, such as SINCE-2014 (DeMott et al. 2015), Examining the Ice-Nucleating Particles from SGP (ExINP-2019; Hiranuma and Vepuri 2020), and Aerosol-Ice Formation Closure Pilot Study (AEROICESTUDY; Knopf et al. 2021a), strongly suggested the contribution of supermicron aerosol particles to observed INP abundance at SGP. However, verification of this hypothesis was hampered since additional offline laboratory analyses require sufficient amounts of collected airborne PM, which was lacking. Therefore, the principal investigators (PIs) conducted a field campaign, named ExINP-SGP II, to collect airborne PM at SGP for complementary laboratory characterization of the particles’ physicochemical properties (including ice nucleation properties). We used a passive particle sampler, which is a 4’ x 4’ x 2” (L x W x D) aluminum pan inside the 12”-high wooden windshield wall at the rooftop deck of the ARM Aerosol Observing System (AOS) trailer to collect dry PM deposits from January to April 2021. Figure 1 shows images of our experimental setup at the site. Additionally, we also collected surface soil near the ARM AOS trailer on 20 November 2020 (Figure 1b) to examine the ground soil dust particles (< 63 µm sieved) for their propensities to initiate immersion freezing compared to collected ambient PM. Surface soil and airborne samples were stored in the chemically inert container separately and kept in a dry, cool place until analyzed.

54 ENVIRONMENTAL SCIENCES↗

The Science of Scientific Software Development and Use

Increasingly powerful and affordable computing has revolutionized scientific and scholarly discovery across a broad range of fields. Computing relies on software, which has been rapidly growing in scope, diversity, and complexity. At the same time, the methods, processes, and tools used to produce and utilize this essential software are often ad hoc, and the study and improvement of them is often done without the benefit of direct funding or prioritization. Consequently, concerns are growing about the productivity of the developers and users of scientific software, its sustainability, and the trustworthiness of the results that it produces. The US Department of Energy Office of Science (DOE-SC) is at the forefront of modern software-enabled scientific discovery across numerous areas of computational, experimental, and observational science, including major investments in national user facilities that support these activities. In December 2021, the DOE-SC Office of Advanced Scientific Computing Research (ASCR) convened a workshop on basic research needs for the Science of Scientific Software Development and Use (SSSDU). Through keynote presentations, lightning talks, and breakout groups, participants discussed the current practice of software development, maintenance, evolution, and use, and considered how the scientific method could be used to examine these practices and develop more evidence-based approaches to enhance the impact of software and computing on all areas of science. Workshop participants identified three priority research directions (PRDs) and three important crosscutting themes that center on the following overarching insight: software has become an essential part of modern science that impacts new discovery, policy, and technological development. To have full confidence in science delivered via software, we must improve the processes and tools that help us create and use it, and this enhancement requires a deep understanding of the diverse array of teams and individuals doing the work. The full workshop report will be available at https://doi.org/10.2172/1846009.

97 MATHEMATICS AND COMPUTING↗

Basic Research Needs in The Science of Scientific Software Development and Use: Investment in Software is Investment in Science

Increasingly powerful and affordable computing has revolutionized scientific and scholarly discovery across a broad range of fields. Computing relies on software, which has been rapidly growing in scope, diversity, and complexity. At the same time, the methods, processes, and tools used to produce and utilize this essential software are often ad hoc, and the study and improvement of them are often done without the benefit of direct funding or prioritization. Consequently, concerns are growing about the productivity of the developers and users of scientific software, its sustainability, and the trustworthiness of the results that it produces. Increased investment, especially in the characterization and improvement of how scientific software is developed and used, is important for sustaining and improving the impact of software as the scope and complexity of scientific efforts expand. Without this investment, we face the risk of diminishing returns on our software investments because the demands for increased functionality, usability, reliability, and more will not be sufficiently met. The US Department of Energy Office of Science (DOE/SC) is at the forefront of modern software-enabled scientific discovery across numerous areas of computational, experimental, and observational science, including major investments in national user facilities that support these activities. For many years, DOE/SC software investments have provided tremendous value to the scientific community. We want to continue and further improve the value of DOE/SC software efforts by using a scientific approach to understanding and improving how scientific software is developed and used. In December 2021, the DOE/SC Office of Advanced Scientific Computing Research (ASCR) convened a workshop on basic research needs for the Science of Scientific-Software Development and Use (SSSDU). Through keynote presentations, lightning talks, and breakout groups, which built on insights from 124 pre-workshop position papers, participants discussed the current practice of software development, maintenance, evolution, and use, and considered how the scientific method could be used to examine these practices and develop more evidence-based approaches to enhance the impact of software and computing on all areas of science. Workshop participants identified three priority research directions (PRDs) and three important crosscutting themes that center on the following overarching insight: Software has become an essential part of modern science, impacting discoveries, policy, and technological development. To maintain and improve confidence in science delivered via software, we must improve the processes and tools that help us create and use software, and this enhancement requires a deep understanding of the diverse array of teams and individuals doing the work.

97 MATHEMATICS AND COMPUTING↗

Examining the Ice-Nucleating Particles from the Eastern North Atlantic (ExINP-ENA) (Field Campaign Report)

The Examining the Ice-Nucleating Particles from the Eastern North Atlantic (ExINP-ENA) field campaign was conducted at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s Eastern North Atlantic (ENA) observatory on Graciosa Island, Azores (39.0916° N, 28.0257° W). The ExINP-ENA campaign began on October 1, 2020, and collected data until March 28, 2021, for a total of 179 days of data generated, with a 45-day intensive operational period (IOP) from October 10 to November 24. This campaign was funded by the DOE Office of Science Early Career Research Program through grant DE-SC001879. This grant contains funding for three field campaigns. The previous field campaign at the Southern Great Plains (SGP) site in Oklahoma, ExINP-SGP, was completed in 2020 (36.6073° N, 97.4876° W), and the upcoming field campaign at the North Slope of Alaska (NSA), ExINP-NSA, will take place from October 2021 at the National Oceanic and Atmospheric Administration (NOAA) Barrow Atmospheric Baseline Observatory (71.3230° N, 156.6114° W).

54 ENVIRONMENTAL SCIENCES↗

Ka-Band ARM Zenith Radar (KAZR) Active Remote Sensing of Clouds (ARSCL) CloudSat Calibration (KAZRARSCL-CLOUDSAT) (Value-Added Product Report)

The Ka-band ARM Zenith Radar Active Remote Sensing of CLouds CloudSat-aligned (KAZRARSCL-CLOUDSAT) Value-Added Product (VAP) applies satellite-based reflectivity calibrations to KAZRARSCL data sets. The Atmospheric Radiation Measurement (ARM) user facility has primarily used radar subsystem calibration monitoring to track cloud radar reflectivity drift over time, since reliable external calibration sources or other absolute references (such as corner reflectors) have historically been unavailable or impracticable. A study by Kollias et al. (2019) examined cloud reflectivity profiles observed with a well-characterized spaceborne downward-pointing millimeter cloud radar, operating as part of NASA’s CloudSat satellite mission (Tanelli et al. 2008). The Kollias team derived monthly statistical reflectivity offsets between CloudSat and the various generations of ARM cloud radars (millimeter wavelength cloud radar [MMCR], W-Band ARM Cloud Radar [WACR[, and Ka-band ARM Zenith Radar [KAZR]) for many, but not all, months at most fixed and mobile ARM sites over the period 2007-2017. These offsets, when available, are applied to the existing KAZRARSCL VAP products using the KAZRARSCL-CLOUDSAT VAP.

54 ENVIRONMENTAL SCIENCES↗

Ultrafast X-ray spectroscopy on nonequilibrium systems (Final Report)

The goal of the project has been to theoretically investigate a wide variety of problems related to the use of X-ray spectroscopy in materials science to enhance the impact of the science done at DOE’s user facilities. The focus has generally been on obtaining a deeper understand of new types of X-ray spectroscopy and to provide support for experimentalist working in these fields.

36 MATERIALS SCIENCE↗

In Situ Thermodynamics and Kinetics of Mixed-Valence Inorganic Crystal Formation

We have found that the established methods to discover and produce earth-abundant iron-containing active layers are very inefficient. The prospective new material iron silicon sulfide, Fe 2 SiS 4 , was previously only synthesized by slow reactions of metallic iron, silicon, and sulfur powders, resulting in poor yield. We found that using an ordered iron-silicon alloy as a feedstock results in a much faster reaction at a lower temperature. We could track this reaction using our unique in-situ X-ray diffractometer, which allows us to heat our encapsulated material up to 1000°C while providing a simultaneous picture of how the atoms in the structure rearrange. We are using this powerful new technique to search for new active layers and optimize their formation by creative use of more complex reagents. Our key accomplishments are mechanisms for improving synthesis, and new materials that result from them. We have demonstrated the utility of high-throughput, DOE-developed infrastructure, such as the Materials Project, to accelerate materials discovery and synthesis. We have pioneered new capabilities of user facilities, such as beamlines 6-BM, 17-BM, and 11-BM at the Advanced Photon Source (APS) and POWGEN and NOMAD at the Spallation Neutron Source.

36 MATERIALS SCIENCE↗

Aerosol Inlets for a Mid-Sized Uncrewed Aerial System (UAS)

The purpose of this technical report is to document the efforts to design and test two inlet systems for aerosol sampling suitable for deployment on a medium-sized fixed-wing Uncrewed Aerial System (UAS). This work, which was supported by the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) user facility, was conducted at the Pacific Northwest National Laboratory (PNNL) for the ARM Aircraft Facility (AAF) starting in November 2017. The current work is a part of AAF efforts to instrument the ArcticShark (a mid-sized UAS owned and operated by the AAF) for atmospheric research and develop a scientific payload for deployment on a similar-sized UAS with minimal adaptation and integration. An aerosol inlet system is necessary to sample and transport ambient air sample to the scientific instrumentation with minimal distortions to the aerosols. Two isokinetic aerosol inlets were designed: the first is a simple passive system for a single instrument suitable to be installed in a wing pylon; the second is a system with active control designed to sample and distribute air among several heterogeneous instruments and to provide basic humidity control of the air sample so that the measured aerosol parameters should correspond to “dry” conditions (a common requirement). Both systems could be easily adapted for deployment on another platform and/or with a different set of instrumentation. Several conducted flight tests showed that the inlets’ performance met our design goals.

54 ENVIRONMENTAL SCIENCES↗