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At least 1,117 records · Page 62

ASCR Workshop on In Situ Data Management: Enabling Scientific Discovery from Diverse Data Sources

In January 2019, the U.S. Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions for in situ data management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing system, cooperating toward a common objective. The workshop revealed two primary, interdependent motivations for processing and managing data in situ. The first motivation is that the in situ methodology enables scientific discovery from a broad range of data sources over a wide scale of computing platforms: leadership-class systems, clusters, clouds, workstations, and embedded devices at the edge. The successful development of ISDM capabilities will benefit real-time decision-making, design optimization, and data-driven scientific discovery. The second motivation is the need to decrease data volumes. ISDM can make critical contributions to managing large data volumes from computations and experiments to minimize data movement, save storage space, and boost resource efficiency, often while simultaneously increasing scientific precision. A fundamental finding of this workshop is that the methodologies used to manage data among a variety of tasks in situ can be used to facilitate scientific discovery from many different data sources—simulation, experiment, and sensors, for example—and that being able to do so at numerous computing scales will benefit real-time decision-making, design optimization, and data-driven scientific discovery across the Office of Science mission space. Applications wanting to use the in situ capabilities include those where data analysis feeds back to the simulation, decisions are made autonomously, big data or machine learning is among the tasks to be coordinated, and computations need to be completed in real time. The workshop identified six priority research directions that highlight the components and capabilities needed for ISDM to be successful for the wide variety of applications discussed: making ISDM capabilities more pervasive, controllable, composable, and transparent, with a focus on greater coordination with the software stack and a diversity of fundamentally new data algorithms.

97 MATHEMATICS AND COMPUTING↗

ASCR Workshop on In Situ Data Management

In January 2019, the U.S. Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions for in situ data management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing system, cooperating toward a common objective. The workshop revealed two primary, interdependent motivations for processing and managing data in situ. The first motivation is that the in situ methodology enables scientific discovery from a broad range of data sources over a wide scale of computing platforms: leadership-class systems, clusters, clouds, workstations, and embedded devices at the edge. The successful development of ISDM capabilities will benefit real-time decision-making, design optimization, and data-driven scientific discovery. The second motivation is the need to decrease data volumes. ISDM can make critical contributions to managing large data volumes from computations and experiments to minimize data movement, save storage space, and boost resource efficiency, often while simultaneously increasing scientific precision.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Nature of the Venus clouds as derived from their polarization

The linear polarization of sunlight reflected by Venus is analyzed by comparing observations with extensive multiple scattering computations. The analysis establishes that Venus is veiled by a cloud or haze layer of particles which have a narrow size distribution with a mean radius of about 1 micron. The refractive index of the particles is 1.44 at 0.55 micron wavelength with a small normal dispersion, the refractive index decreasing from the ultraviolet toward the infrared. The particles exist at a high level in the atmosphere, with the optical thickness unity occurring where the pressure is about 50 mb. The particle properties deduced from the polarization eliminate all but one of the cloud compositions which have been proposed for Venus. A concentrated solution of sulfuric acid provides good agreement with the polarization data.

Hansen, J. E.↗

Time variations of aerosols in the stratosphere following Mount St. Helens eruptions

Samples of stratospheric aerosols collected with U-2 aircraft for several months following the first three major eruptions of Mount St. Helens were analyzed for ash and liquid acid content. Ash grain sizes and compositions vary depending on collection altitude, location within the drifting cloud, and days following their injection. s computers Size distributions of ash particles vary with altitude. Generally small particles are depleted more rapidly at low altitudes (12 km) than at higher altitudes (17-18 km). Although samples collected 1 day after the first eruption of May 18, 1980, were dry, flow marks on the aircraft indicated parts of the cloud contained heavy acid concentrations. Indeed, all other samples obtained within 1 to 4 days after later eruptions (May 25 and June 12, 1980) were covered with copious amounts of liquid acid. Proportions of liquid to ash varied considerably depending on sampling location and cloud age. Because the acid-coated ash globules were large, they rapidly fell from the stratosphere until, by late June 1980, only a residue of acid droplets remained. Size distributions and concentrations of these droplets varied considerably.

Farlow, N. H.↗

A Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT): Part II. The cloudy-sky model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMS-NIT) reported in Part I of this report is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 um are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to show the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution assessment is performed to observe the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2-3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

14 SOLAR ENERGY↗

Liquid content of the lower clouds of Venus as determined from Mariner 10 radio occultation

S- and X-band radio occulation data obtained during the Mariner 10 flyby of Venus are analyzed to determine the effects of signal attenuation due to the clouds of Venus. The signal-amplitude data are corrected for errors introduced by spacecraft motion and antenna steering during the occultation, absorption-coefficient profiles are computed, and the liquid content of the Venusian clouds is estimated. Excess attenuation effects are found and ascribed to absorption by small liquid particles, consisting of a water-sulfuric acid mixture containing 75% + or - 25% sulfuric acid, in the clouds. Three absorbing cloud layers at respective heights of 68, 60, and 48 km are suggested by the X-band absorptivity profile, but only the 68- and 48-km layers are clearly indicated by the S-band profile. The relatively slow S-band absorption at 60 km is tentatively attributed to an unknown constituent that is much more absorbing in the X-band than in the S-band. The results are compared with nephelometer measurements performed at 0.9 micron by the Venera 9 and 10 probes.

Kliore, A. J.↗

Satellite measurements of cloud reflectance and optical thickness

The cloud reflectance and the optical thickness have been computed with the aid of atmospheric models from the first eleven months (April 1970-February 1971) of backscattered ultraviolet (BUV) data over the Pacific Ocean. Both the cloud and the optical thickness are derived from the 380 nm channel by assuming that the entire IFOV (200 km) is filled by stratiform clouds. The analysis shows a large variability in the cloud reflectance in both the intertropic conversion zone (ITCZ) and the high latitudes. It is also found that for 90 percent of the time in the tropics, the clouds have an optical thickness of less than 10. An analysis of clouds with optical thickness between 10 and 20 shows that in the tropics the minimum frequency coincides with the dry zone at 2.5 deg S and the maximum frequency for clouds of optical thickness 10-20 is greater in summer than in winter and irrespective of the season; 50 percent of the time the clouds have an optical thickness less than 13.

Ahmad, Z.↗

A Fast All-Sky Radiation Model for Solar Applications with Narrowband Irradiances on Tilted Surfaces (FARMS-NIT): Part II. The Cloudy-Sky Model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMSNIT) reported in Part I of this study is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 μm are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to provide the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution analysis is performed to assess the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2–3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

Xie, Yu↗

Fast All-Sky Radiation Model for Solar Applications (FARMS): A Brief Overview of Mechanisms, Performance, and Applications: Preprint

Solar radiation can be computed using radiative transfer models, such as the Rapid Radiation Transfer Model (RRTM) and its general circulation model applications, and used for various energy applications. Due to the complexity of computing radiation fields in aerosol and cloudy atmospheres, simulating solar radiation can be extremely time-consuming, but many approximations--e.g., the two-stream approach and the delta-M truncation scheme--can be utilized. To provide a new fast option for computing solar radiation, we developed the Fast All-sky Radiation Model for Solar applications (FARMS) by parameterizing the simulated diffuse horizontal irradiance and direct normal irradiance for cloudy conditions from the RRTM runs using a 16-stream discrete ordinates radiative transfer method. The solar irradiance at the surface was simulated by combining the cloud irradiance parameterizations with a fast clear-sky model, REST2. To understand the accuracy and efficiency of the newly developed fast model, we analyzed FARMS runs using cloud optical and microphysical properties retrieved using GOES data from 2009-2012. The global horizontal irradiance for cloudy conditions was simulated using FARMS and RRTM for global circulation modeling with a two-stream approximation and compared to measurements taken from the U.S. Department of Energy's Atmospheric Radiation Measurement Climate Research Facility Southern Great Plains site. Our results indicate that the accuracy of FARMS is comparable to or better than the two-stream approach; however, FARMS is approximately 400 times more efficient because it does not explicitly solve the radiative transfer equation for each individual cloud condition. Radiative transfer model runs are computationally expensive, but this model is promising for broad applications in solar resource assessment and forecasting. It is currently being used in the National Solar Radiation Database, which is publicly available from the National Renewable Energy Laboratory at http://nsrdb.nrel.gov.

14 SOLAR ENERGY↗

Virtual Assistant for First Responders Using Natural Language Understanding and Optical Character Recognition

Commercial deep learning capabilities are available for many applications such as computer vision processing and intelligent chat bots. The Google Cloud Platform product Google Dialogflow provides lifelike conversational artificial intelligence (AI) using machine learning (ML) to generate natural conversations between computers and humans. This ML utilizes natural language understanding (NLU) to recognize a user’s intent and extracts key information into a form of entities. We have developed a user-friendly application through understanding the hazardous material database, first aid safety guidelines and observing the process of first responders who access this information in the field. We created the Trusted and Explainable Artificial Intelligence for Saving Lives (TruePAL) virtual assistant using Dialogflow1 and TensorFlow2 paired with EasyOCR.3 The chatbot supports first responders by providing voice interaction which helps limit additional steps such as browsing through multiple categories when searching for information. Using feedback from our field interviews, the voice interface has been developed to enable the first responder to focus on the immediate emergency. With less distractions, the first responder is able to engage the incident more effectively. The partial hands-free TruePAL chatbot assistant improves the accessibility to the correct guidance by an average of 1.9 seconds compared to the widely used application, NIH WISER, which requires full attention to operate. We combined this intelligent chatbot with a separate visual processing capability to produce hazardous signage analysis and generate the proper guidance for first responders. With the evolving functionality of AI tools, the use of virtual assistants in first responder technology will be an advancement, benefiting the safety of both first responders and civilians.

Chow, Edward↗

Improvement of the Simulation of Cloud Longwave Scattering in Broadband Radiative Transfer Models

Abstract Cloud longwave scattering is generally neglected in general circulation models (GCMs), but it plays a significant and highly uncertain role in the atmospheric energy budget as demonstrated in recent studies. To reduce the errors caused by neglecting cloud longwave scattering, two new radiance adjustment methods are developed that retain the computational efficiency of broadband radiative transfer simulations. In particular, two existing scaling methods and the two new adjustment methods are implemented in the Rapid Radiative Transfer Model (RRTM). The results are then compared with those based on the Discrete Ordinate Radiative Transfer model (DISORT) that explicitly accounts for multiple scattering by clouds. The two scaling methods are shown to improve the accuracy of radiative transfer simulations for optically thin clouds but not effectively for optically thick clouds. However, the adjustment methods reduce computational errors over a wide range, from optically thin to thick clouds. With the adjustment methods, the errors resulting from neglecting cloud longwave scattering are reduced to less than 2 W m−2 for the upward irradiance at the top of the atmosphere and less than 0.5 W m−2 for the surface downward irradiance. The adjustment schemes prove to be more accurate and efficient than a four-stream approximation that explicitly accounts for multiple scattering. The neglect of cloud longwave scattering results in an underestimate of the surface downward irradiance (cooling effect), but the errors are almost eliminated by the adjustment methods (warming effect).

54 ENVIRONMENTAL SCIENCES↗

Tabulation of Mie scattering calculation results for microwave radiative transfer modeling

In microwave radiative transfer model simulations, the Mie calculations usually consume the majority of the computer time necessary for the calculations (70 to 86 percent for frequencies ranging from 6.6 to 183 GHz). For a large array of atmospheric profiles, the repeated calculations of the Mie codes make the radiative transfer computations not only expensive, but sometimes impossible. It is desirable, therefore, to develop a set of Mie tables to replace the Mie codes for the designated ranges of temperature and frequency in the microwave radiative transfer calculation. Results of using the Mie tables in the transfer calculations show that the total CPU time (IBM 3081) used for the modeling simulation is reduced by a factor of 7 to 16, depending on the frequency. The tables are tested by computing the upwelling radiance of 144 atmospheric profiles generated by a 3-D cloud model (Tao, 1986). Results are compared with those using Mie quantities computed from the Mie codes. The bias and root-mean-square deviation (RMSD) of the model results using the Mie tables, in general, are less than 1 K except for 37 and 90 GHz. Overall, neither the bias nor RMSD is worse than 1.7 K for any frequency and any viewing angle.

Yeh, Hwa-Young M.↗

Computer simulations of ions in radio-frequency traps

The motion of ions in a trapped-ion frequency standard affects the stability of the standard. In order to study the motion and structures of large ion clouds in a radio-frequency (RF) trap, a computer simulation of the system that incorporates the effect of thermal excitation of the ions was developed. Results are presented from the simulation for cloud sizes up to 512 ions, emphasizing cloud structures in the low-temperature regime.

Williams, A.↗

Improved GEO Derived LW Broadband Fluxes for the Edition5 CERES SYN1Deg Data Product

The NASA Clouds and the Earth's Radiant Energy System (CERES) project provides over 24 years of accurately observed top-of-the-atmosphere (TOA) and surface flux data record for climate monitoring and diagnostic studies. The major level-3 data products include SSF1deg, SYN1deg, FluxByCldTyp, and EBAF data. The CERES SYN1deg product provides 1° gridded observed TOA fluxes and computed surface fluxes based on hourly GEO clouds and derived broadband TOA fluxes. The hourly GEO derived fluxes fill in the temporal gaps between the Terra and Aqua CERES observations. In order to maintain a climate quality dataset the GEO cloud and flux retrievals are consistent over the record. The CERES project is preparing for Edition 5 product providing an opportunity to improve the GEO flux retrieval algorithms. To achieve this, the GEO satellite channel radiances are calibrated against the Aqua-MODIS calibration reference. For SW the GEO channel radiances are then converted to broadband radiances using empirical and theoretical models. The SW broadband radiances are then converted to fluxes using the same CERES angular directional models. For LW the GEO channel radiances are directly converted to LW fluxes utilizing empirical models. The resulting GEO derived broadband fluxes are then normalized to the CERES fluxes regionally by regressing the instantaneous coincident flux pairs. The normalized GEO fluxes are then tied to the CERES instrument calibration, which is very stable over time. This study will attempt to improve the GEO derived LW fluxes based on machine learning technique for the future Edition5 SYN1deg data product.

Moguo Sun↗

The Magnetic Helicity Budget of Solar Active Regions and Coronal Mass Ejections

We compute the magnetic helicity injected by transient photospheric horizontal flows in six solar active regions associated with halo coronal mass ejections (CMEs) that produced major geomagnetic storms and magnetic clouds (MCs) at 1 AU. The velocities are computed using the local correlation tracking (LCT) method. Our computations cover time intervals of 1 10-150 hr, and in four active regions the accumulated helicities due to transient flows are factors of 8-12 larger than the accumulated helicities due to differential rotation. As was first pointed out by DCmoulin and Berger, we suggest that the helicity computed with the LCT method yields not only the helicity injected from shearing motions but also the helicity coming from flux emergence. We compare the computed helicities injected into the corona with the helicities carried away by the CMEs using the MC helicity computations as proxies to the CME helicities. If we assume that the length of the MC flux tubes is I = 2 AU, then the total helicities injected into the corona are a factor of 2.94 lower than the total CME helicities. If we use the values of 1 determined by the condition for the initiation of the kink instability in the coronal flux rope or I = 0.5 AU then the total CME helicities and the total helicities injected into the corona are broadly consistent. Our study, at least partially, clears up some of the discrepancies in the helicity budget of active regions because the discrepancies appearing in our paper are much smaller than the ones reported in previous studies. However, they point out the uncertainties in the MC/CME helicity calculations and also the limitations of the LCT method, which underestimates the computed helicities.

Nindos, A.↗

Equilibrium Speciation of Select Lanthanides in the Presence of Acidic Ligands in Homo- and Heterogeneous Solutions

This dissertation explores lanthanide speciation in liquid solution systems related to separation schemes involving the acidic ligands: bis(2-ethylhexyl) phosphoric acid (HDEHP), lactate, and 8-hydroxyquinoline. Equilibrium speciation of neodymium (Nd 3+ ), sodium (Na+), HDEHP, water, and lactate in the TALSPEAK liquid-liquid extraction system was explored under varied Nd 3+ loading of HDEHP in the organic phase and through extraction from aqueous HCl and lactate media. System speciation was probed through vapor pressure osmometry, visible and Fourier Transform Infrared (FTIR) spectroscopy, 22 Na and 13 C labeled lactate radiotracer distribution measurements, Karl Fischer titrations, and equilibrium pH measurements. Distribution of Nd 3+ , Na + , lactate, and equilibrium pH were modeled using the SXLSQI software to obtain logKNd and logKNa extraction constants under selected conditions. Results showed that high Nd 3+ loading of the HDEHP led to Nd 3+ speciation that departs from the ion exchange mechanism and includes formation of highly aggregated, polynuclear [NdLactate(DEHP) 2 ] x ; (with x > 1). By substituting lanthanum (La 3+ ) for Nd 3+ in this system, NMR scoping experiments using 23 Na, 31 P nuclei and 13 C labeled lactate were performed. Results indicated that this technique is sensitive to changes in system speciation, and that further experiments are warranted. In a homogeneous system representing the TALSPEAK aqueous phase, Lactate protonation behavior at various temperatures was characterized using a combination of potentiometric titration and modeling with the Hyperquad computer program. The temperature dependent deprotonation behavior of lactate showed little change with temperature at 2.0 M NaCl ionic strength. Cloud point extraction is a non-traditional separation technique that starts with a homogeneous phase that becomes heterogeneous by the micellization of surfactants through the increase of temperature. To better understand the behavior of europium (Eu 3+ ) and 8-hydroxyquinoline under cloud point extraction conditions, potentiometric and spectrophotometric titrations coupled with modeling with Hyperquad and SQUAD computer programs were performed to assess europium (Eu 3+ ) and 8-hydroxyquinoline speciation. Experiments in both water and a 1wt% Triton X-114/water mixed solvent were compared to understand the effect of Triton X-114 on the system speciation. Results indicated that increased solvation of 8-hydroxyquinoline by the mixed solvent lead to more stable complexes involving 8-hydroxyquinoline than in water, whereas competition between hydroxide and Triton X-114 for Eu 3+ led to lower stability hydrolysis complexes in the mixed solvent than in water. Lanthanide speciation is challenging due to the trivalent oxidation state that leads to multiple ligand complexes, including some mixed complexes. The complexity of the system demands well-designed and precise experiments that capture the nuances of the chemistry. This work increased the understanding of lanthanide speciation in the explored systems, but more work is required to produce a comprehensive understanding of the speciation involved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Astronomy Commons Platform: A Deployable Cloud-based Analysis Platform for Astronomy

Abstract We present a scalable, cloud-based science platform solution designed to enable next-to-the-data analyses of terabyte-scale astronomical tabular data sets. The presented platform is built on Amazon Web Services (over Kubernetes and S3 abstraction layers), utilizes Apache Spark and the Astronomy eXtensions for Spark for parallel data analysis and manipulation, and provides the familiar JupyterHub web-accessible front end for user access. We outline the architecture of the analysis platform, provide implementation details and rationale for (and against) technology choices, verify scalability through strong and weak scaling tests, and demonstrate usability through an example science analysis of data from the Zwicky Transient Facility’s 1Bn+ light-curve catalog. Furthermore, we show how this system enables an end user to iteratively build analyses (in Python) that transparently scale processing with no need for end-user interaction. The system is designed to be deployable by astronomers with moderate cloud engineering knowledge, or (ideally) IT groups. Over the past 3 yr, it has been utilized to build science platforms for the DiRAC Institute, the ZTF partnership, the LSST Solar System Science Collaboration, and the LSST Interdisciplinary Network for Collaboration and Computing, as well as for numerous short-term events (with over 100 simultaneous users). In a live demo instance, the deployment scripts, source code, and cost calculators are accessible. 4 4 http://hub.astronomycommons.org/

79 ASTRONOMY AND ASTROPHYSICS↗