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At least 1,189 records · Page 66

The Tables of Aerosol Optics (TAO) Project

The Table of Aerosol Optics (TAO) project is a community repository of optics computations (extinction, absorption, single-scatter albedo, lidar ratio, etc) that are useful for global models and remote sensing applications. TAO expands upon historical efforts (e.g., Hess et al., 1998) by building an open database that uses recent measurements and new computational techniques for non-spherical particles. The ‘open’ aspect of TAO is important, since the size distributions, hygroscopicities, refractive indices, and morphological recommendations of today will undoubtedly yield to different values in the future; the open framework of TAO allows scientists to keep adding new computations to the database as the science evolves. TAO is meant to be a community repository where specialists can put their computations for other scientists to use. So for instance, some groups are advancing new techniques that can accommodate complex fractal aggregates of black carbon, other groups are working on realistic irregular shapes for mineral dust, and different groups are updating the hygroscopicity of various aerosol types using new techniques. The TAO database gives these scientists a place to distribute their products. As TAO grows, modelers and remote sensing specialists will look to TAO as a place to find a wide variety of choices for testing. Meanwhile, global modelers can also use TAO to lobby for new tables that accommodate their needs. Eventually, TAO will provide mass extinction coefficients, mass absorption coefficients, lidar ratios, etc., at popular remote sensing and global modeling wavelengths (0.25-40 µm) for all pertinent species (sulfate, sea salt, BC, OC, BrC, dust, etc.). TAO will also accept computations for aerosol ‘type’ (e.g., biomass burning, urban, background, etc.) that may include regional and seasonal variability. Multiple tables may be created for each species or type to account for the multiple valid size distributions, hygroscopicities, complex refractive indices, and shapes that can be found in the literature.

Elisabeth Andrews↗

The Tables of Aerosol Optics (TAO) Project

The Table of Aerosol Optics (TAO) project is a community repository of optics computations (extinction, absorption, single-scatter albedo, lidar ratio, etc) that are useful for global models and remote sensing applications. TAO expands upon historical efforts (e.g., Hess et al., 1998) by building an open database that uses recent measurements and new computational techniques for non-spherical particles. The ‘open’ aspect of TAO is important, since the size distributions, hygroscopicities, refractive indices, and morphological recommendations of today will undoubtedly yield to different values in the future; the open framework of TAO allows scientists to keep adding new computations to the database as the science evolves. TAO is meant to be a community repository where specialists can put their computations for other scientists to use. So for instance, some groups are advancing new techniques that can accommodate complex fractal aggregates of black carbon, other groups are working on realistic irregular shapes for mineral dust, and different groups are updating the hygroscopicity of various aerosol types using new techniques. The TAO database gives these scientists a place to distribute their products. As TAO grows, modelers and remote sensing specialists will look to TAO as a place to find a wide variety of choices for testing. Meanwhile, global modelers can also use TAO to lobby for new tables that accommodate their needs. Eventually, TAO will provide mass extinction coefficients, mass absorption coefficients, lidar ratios, etc., at popular remote sensing and global modeling wavelengths (0.25-40 µm) for all pertinent species (sulfate, sea salt, BC, OC, BrC, dust, etc.). TAO will also accept computations for aerosol ‘type’ (e.g., biomass burning, urban, background, etc.) that may include regional and seasonal variability. Multiple tables may be created for each species or type to account for the multiple valid size distributions, hygroscopicities, complex refractive indices, and shapes that can be found in the literature.

Greg Schuster↗

X-Ray Computed Tomography Inspection of the Stardust Heat Shield

The "Stardust" heat shield, composed of a PICA (Phenolic Impregnated Carbon Ablator) Thermal Protection System (TPS), bonded to a composite aeroshell, contains important features which chronicle its time in space as well as re-entry. To guide the further study of the Stardust heat shield, NASA reviewed a number of techniques for inspection of the article. The goals of the inspection were: 1) to establish the material characteristics of the shield and shield components, 2) record the dimensions of shield components and assembly as compared with the pre-flight condition, 3) provide flight infonnation for validation and verification of the FIAT ablation code and PICA material property model and 4) through the evaluation of the shield material provide input to future missions which employ similar materials. Industrial X-Ray Computed Tomography (CT) is a 3D inspection technology which can provide infonnation on material integrity, material properties (density) and dimensional measurements of the heat shield components. Computed tomographic volumetric inspections can generate a dimensionally correct, quantitatively accurate volume of the shield assembly. Because of the capabilities offered by X-ray CT, NASA chose to use this method to evaluate the Stardust heat shield. Personnel at NASA Johnson Space Center (JSC) and Lawrence Livermore National Labs (LLNL) recently performed a full scan of the Stardust heat shield using a newly installed X-ray CT system at JSC. This paper briefly discusses the technology used and then presents the following results: 1. CT scans derived dimensions and their comparisons with as-built dimensions anchored with data obtained from samples cut from the heat shield; 2. Measured density variation, char layer thickness, recession and bond line (the adhesive layer between the PICA and the aeroshell) integrity; 3. FIAT predicted recession, density and char layer profiles as well as bondline temperatures Finally suggestions are made as to future uses of this technology as a tool for non-destructively inspecting and verifying both pre and post flight heat shields.

McNamara, Karen M.↗

Reasoning About Computing in the Post-Moore world [Slides]

We are facing new challenges due to technology shifts and evolving mission requirements. Meeting these challenges requires careful reasoning about hardware and our applications. This is important for decisions we’re making for our codes following ATDM and our decisions about future platforms.

97 MATHEMATICS AND COMPUTING↗

Information barrier experimental: Toward a trusted and open-source computing platform for nuclear warhead verification

Trusted measurement systems are critical for the verification of future arms-control treaties that involve confirming the authenticity of nuclear warheads on the basis of their radiation signatures. Several research efforts have produced prototype systems, but their designs are typically not published in detail, making it difficult to enable trust in these devices. The Information Barrier Experimental (IBX) is a new prototype built around the Red Pitaya computing platform using passive gamma spectroscopy. It is the first such platform designed to help a broad research community study vulnerabilities and define the required specifications for a common, trusted inspection system. It is low-cost, simple to assemble, and enables comprehensive hardware and software authentication studies. The device follows a digital data acquisition approach, which significantly reduces the number of components between scintillator and spectrum output. Finally, measurements demonstrate that this approach is technically feasible and produces excellent measurement results.

97 MATHEMATICS AND COMPUTING↗

Integrating Human Performance Measures into Space Operations: Beyond Our Scheduling Capabilities?

Current planning and scheduling software tools for International Space Station (ISS) support different flight controller teams as they plan daily space operations. Planning and scheduling tools capabilities include integrating digitized ISS state inputs, evaluating their expected future states, and propagating them over time. Extensive, custom-made computational models of operations, of objectives, and of operational constraints help ISS flight controllers identify where scheduled events violate constraints. Based on the current capabilities of these tools, this paper proposes how human performance measures could be better integrated into planning and scheduling tools for space mission operations. Future integration of human performance measures could be applied to state inputs (in this case, the astronaut’s state) and to modeling human performance operational constraints & operational objectives (i.e., assigned activities) with parameters that are relevant to human performance measures. Gaps between the state-of-the-art for human performance modeling and planning tools for future exploration missions are identified.

space operations↗

Design and verification of a multiple fault tolerant control system for STS applications using computer simulation

General Dynamics/Convair is under NASA contract to integrate the Centaur upper stage into the space transportation system for future planetary missions. This requires that control of all safety critical functions be two-failure tolerant. The control system developed consists of five asynchronous computers, each contributing at their outputs to a 3-out-of-5 voting plane. Subsystem control is based on an end function redundancy management scheme. Analysis of multiple component failures and worst-case time-phase asynchrony among the computers is performed by a real-time computer simulation. The simulation emulates the hardware and subsystem interfaces, wire by wire, providing assessibility to any component for the insertion of preprogrammed failures. Observability is provided via a graphics system and diagnostic software. The simulation provides an engineering tool where the integrity of control system hardware and imbedded software can be demonstrated.

Szatkowski, G. P.↗

Projected Changes in Temperature and Precipitation Over the United States, Central America, and the Caribbean in CMIP6 GCMs

The Coupled Model Intercomparison Project Phase 6 (CMIP6) dataset is used to examine projected changes in temperature and precipitation over the United States (U.S.), Central America and the Caribbean. The changes are computed using an ensemble of 31 models for three future time slices (2021–2040, 2041–2060, and 2080–2099) relative to the reference period (1995–2014) under three Shared Socioeconomic Pathways (SSPs; SSP1-2.6, SSP2-4.5, and SSP5-8.5). The CMIP6 ensemble reproduces the observed annual cycle and distribution of mean annual temperature and precipitation with biases between – 0.93 and 1.27 °C and – 37.90 to 58.45%, respectively, for most of the region. However, modeled precipitation is too large over the western and Midwestern U.S. during winter and spring and over the North American monsoon region in summer, while too small over southern Central America. Temperature is projected to increase over the entire domain under all three SSPs, by as much as 6 °C under SSP5-8.5, and with more pronounced increases in the northern latitudes over the regions that receive snow in the present climate. Annual precipitation projections for the end of the twenty-first century have more uncertainty, as expected, and exhibit a meridional dipole-like pattern, with precipitation increasing by 10–30% over much of the U.S. and decreasing by 10–40% over Central America and the Caribbean, especially over the monsoon region. Seasonally, precipitation over the eastern and central subregions is projected to increase during winter and spring and decrease during summer and autumn. Over the monsoon region and Central America, precipitation is projected to decrease in all seasons except autumn. The analysis was repeated on a subset of 9 models with the best performance in the reference period; however, no significant difference was found, suggesting that model bias is not strongly influencing the projections.

54 ENVIRONMENTAL SCIENCES↗

Virtual prototyping of liquid metal blanket performance in fusion pilot plant

Liquid metal blanket is a dominant design option for the next step fusion devices responsible for harvesting energy from fusion reaction, and simultaneously producing fuel for the same reaction through tritium breeding. Liquid metal blankets introduce additional complexity to the design due to fluid motion, fluid structure interaction, and magnetohydrodynamic (MHD) effects arising from the motion of the conducting fluid through the magnetic field. They are also directly affected by the plasma heat flux and neutronic fluence. PPPL is currently developing a virtual prototyping system for numerical analysis of the liquid metal blankets for future fusion devices. The system has a customized 3D computational fluid dynamics (CFD) code in its core, allowing MHD flow and conjugate heat transfer analysis in blankets fluids and solids. The code was successfully used before for dual coolant blanket analysis [A. Khodak et al., Fusion Eng. and Des. 137 (2018)]. Recently the same code was modified to allow verified simulation of MHD flows at high Hartmann numbers of several thousand typical for blanket applications. CFD code receives volumetric heat source distribution from the neutronic analysis based on MCNP code. In addition, direct tritium breeding simulation will be performed allowing optimization of the blanket performance. 2D axisymmetric version of neutronics code will be used for rapid optimization, with 3D version employed for detailed analysis. The surface heat distribution on the plasma facing wall will be defined by the software HEAT allowing 3D modeling of the heat flux based on the magnetic field distribution including gyro-orbit effects. Results of thermal analysis are imported into structural analysis code also included in the system. Finally, direct import of CAD geometry will be used for analyzing all components and as a result design option can be efficiently optimized.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predictions of delafossite-hosted honeycomb and kagome phases

Delafossites, typically denoted by the formula ABO 2 , are a class of layered materials that exhibit a wide range of electronic and optical properties. Recently, the idea of modifying these delafossites into ordered kagome or honeycomb phases via strategic doping has emerged as a potential way to tailor these properties. In this study, we use high-throughput density functional theory calculations to explore many possible candidate kagome and honeycomb phases by considering dopants selected from the parent compounds of known ternary delafossite oxides from the inorganic crystal structure database. Here our results indicate that while A-site in existing delafossites can host a limited range of elemental specifies, and display a low propensity for mixing or ordering, the oxide sub-units in the BO 2 much more readily admit guest species. Our study identifies four candidate B-site kagome and fifteen candidate B-site honeycombs with a formation energy more than 50 meV f.u. −1 below other competing phases. The ability to predict and control the formation of these unique structures offers exciting opportunities in materials design, where innovative properties can be engineered through the selection of specific dopants. A number of these constitute novel correlated metals, which may be of interest for subsequent efforts in synthesis. These novel correlated metals may have significant implications for quantum computing, spintronics, and high-temperature superconductivity, thus inspiring future experimental synthesis and characterization of these proposed materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Physics of E × B discharges relevant to plasma propulsion and similar technologies

This paper provides perspectives on recent progress in understanding the physics of devices in which the external magnetic field is applied perpendicular to the discharge current. This configuration generates a strong electric field that acts to accelerate ions. The many applications of this set up include generation of thrust for spacecraft propulsion and separation of species in plasma mass separation devices. These “E × B” plasmas are subject to plasma–wall interaction effects and to various micro- and macroinstabilities. In many devices we also observe the emergence of anomalous transport. This perspective presents the current understanding of the physics of these phenomena and state-of-the-art computational results, identifies critical questions, and suggests directions for future research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A flexible gyro-fluid system of equations

Gyro-fluid equations are velocity space moments of the gyrokinetic equations. Special gyro-Landau-fluid closures have been developed that include the damping due to kinetic resonances by fitting to the collisionless local plasma response functions. This damping allows for accurate linear eigenmodes to be computed with a relatively low number of velocity space moments compared to the number of velocity quadrature points in gyrokinetic codes. However, none of the published gyro-Landau-fluid closure schemes considers the Onsager symmetries of the resulting quasi-linear fluxes as a constraint. Onsager symmetry guarantees that the matrix of diffusivities is positive definite, an important property for the numerical stability of a transport solver. A two-parameter real closure for improving the accuracy of low-resolution gyro-fluid equations, which preserves the Onsager symmetry and allows higher velocity space moments, is presented in this paper. The new linear gyro-fluid system (GFS) is used to extend the TGLF quasi-linear transport model so that it can compute the energy and momentum fluxes due to parallel magnetic fluctuations, completing the transport matrix. The GFS equations do not use a bounce average approximation. The GFS equations are fully electromagnetic with general flux surface magnetic geometry, pitch angle scattering for electron collisions, and subsonic equilibrium toroidal rotation. Using GFS eigenmodes in the quasi-linear TGLF model will be shown to yield a more accurate match to fluxes computed by CGYRO turbulence simulations. In conclusion, prospects for future applications of a quasi-linear theory to new plasma transport regimes and magnetic confinement devices in addition to tokamaks are opened by the flexibility of the GFS eigensolver.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Global estimates of the fitness advantage of SARS-CoV-2 variant Omicron

Abstract New variants of SARS-CoV-2 show remarkable heterogeneity in their relative fitness over both time and space. In this paper we extend the tools available for estimating the selection strength for new SARS-CoV-2 variants to a hierarchical, mixed-effects, renewal equation model. This formulation allows us to estimate selection effects at the global level while incorporating both measured and unmeasured heterogeneity among countries. Applying this model to the spread of Omicron in forty countries, we find evidence for very strong but very heterogeneous selection effects. To test whether this heterogeneity is explained by differences in the immune landscape, we considered several measures of vaccination rates and recent population-level infection as covariates, finding moderately strong, statistically significant effects. We also found a significant positive correlation between the selection advantage of Delta and Omicron at the country level, suggesting that other region-specific explanatory variables of fitness differences do exist. Our method is implemented in the Stan programming language, can be run on standard consumer-grade computing resources, and will be straightforward to apply to future variants.

59 BASIC BIOLOGICAL SCIENCES↗

Hybrid Programming for Near-Term Quantum Computing Systems

Recent computations involving quantum processing units (QPUs) have demonstrated a series of challenges inherent to hybrid classical-quantum programming, compilation, execution, and verification and validation. Despite considerable progress, system-level noise, limited low-level instructions sets, remote access models, and an overall lack of portability and classical integration presents near-term programming challenges that must be overcome in order to enable reliable scientific quantum computing and support robust hardware benchmarking. In this work, we draw on our experience in programming QPUs to identify common concerns and challenges, and detail best practices for mitigating these challenges within the current hybrid classical-quantum computing paradigm. Following this discussion, we introduce the XACC quantum compilation and execution framework as a hardware and language independent solution that addresses many of these hybrid programming challenges. XACC supports extensible methodologies for managing a variety of programming, compilation, and execution concerns across the increasingly diverse set of QPUs. We use recent nuclear physics simulations to illustrate how the framework mitigates programming, compilation, and execution challenges and manages the complex workflow present in QPU-enhanced scientific applications. Finally, we codify the resulting hybrid scientific computing workflow in order to identify key areas requiring future improvement.

Mccaskey, Alex↗

Simulating and Estimating the Behavior of a Neuromorphic Co-Processor

Neuromorphic computing represents one technology likely to be incorporated into future supercomputers. In this work, we present initial results on a potential neuromorphic co-processor, including a preliminary device design that includes memristors, estimates on energy usage for the co-processor, and performance of an on-line learning mechanism. We also present a high-level co-processor simulator used to estimate the performance of the neuromorphic co-processor on real applications. We discuss future use-cases of a potential neuromorphic co-processor in the supercomputing environment, including as an accelerator for supervised learning and for unsupervised, on-line learning tasks. Finally, we discuss plans for future work.

Schuman, Catherine↗

Gross Alpha and Beta Decision Levels for the Environmental Air Monitoring Program for the Idaho National Laboratory

This report provides a comprehensive analysis of alpha and beta radiation data collected from air monitoring sites at or near Idaho National Laboratory from April 2006 through February 2017. These data were used to compute monitoring limits that will be used to assess future alpha and beta radiation measurements. Data were analyzed for seasonality, stationarity, and other data issues that may impact the calculation and use of the monitoring limits.

61 RADIATION PROTECTION AND DOSIMETRY↗

NEAMS Workbench Status and Capabilities

The mission of the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished by using computing architectures that range from laptops to leadership-class facilities. The NEAMS Workbench is a new initiative that will facilitate the transition from conventional tools to high fidelity tools by providing a common user interface for model creation, review, execution, output review, and visualization for integrated codes. The Workbench can use common user input, including engineering-scale specifications that are expanded into application-specific input requirements through the use of customizable templates. The templating process can enable multifidelity analysis of a system from a common set of input data. Additionally, the common user input processor can provide an enhanced alternative application input that provides additional conveniences over the native input, especially for legacy codes. Expansion of the integrated codes and application templates available in the Workbench will broaden the NEAMS user community and will facilitate system analysis and design. Current and planned capabilities of the NEAMS Workbench are detailed here.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗