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At least 919 records · Page 51

Software Engineering Support of the Third Round of Scientific Grand Challenge Investigations: An Earth Modeling System Software Framework Strawman Design that Integrates Cactus and UCLA/UCB Distributed Data Broker

One of the most significant challenges in large-scale climate modeling, as well as in high-performance computing in other scientific fields, is that of effectively integrating many software models from multiple contributors. A software framework facilitates the integration task. both in the development and runtime stages of the simulation. Effective software frameworks reduce the programming burden for the investigators, freeing them to focus more on the science and less on the parallel communication implementation, while maintaining high performance across numerous supercomputer and workstation architectures. This document proposes a strawman framework design for the climate community based on the integration of Cactus, from the relativistic physics community, and UCLA/UCB Distributed Data Broker (DDB) from the climate community. This design is the result of an extensive survey of climate models and frameworks in the climate community as well as frameworks from many other scientific communities. The design addresses fundamental development and runtime needs using Cactus, a framework with interfaces for FORTRAN and C-based languages, and high-performance model communication needs using DDB. This document also specifically explores object-oriented design issues in the context of climate modeling as well as climate modeling issues in terms of object-oriented design.

Talbot, Bryan↗

Analyzing the Use of Gaseous Helium as a Pressurant with Cryogenic Propellants with Thermodynamic Venting System Modelling and Test Data

Cryogens are viable candidate propellants for NASA's Lunar and Mars exploration programs. To provide adequate mass flow to the system's engines and/or to prevent feed system cavitation, gaseous helium (GHe) is frequently considered as a pressurant. During low gravity operations, a Thermodynamic Venting System (TVS) is designed to maintain tank pressure during low gravity operations without propellant resettling. Therefore, a series of tests were conducted in the Multi-purpose Hydrogen Test Bed (MHTB) of Marshall Space Flight Center (MSFC) in order to evaluate the effects of GHe pressurant on pressure control performance of a TVS with liquid hydrogen (LH2) and nitrogen (LN2) as the test liquids. The TVS used in these test series consists of a recirculation pump, Joule-Thomson (J-T) expansion valve, and a parallel flow concentric tube heat exchanger combined with a longitudinal spray bar. Using a small amount of liquid extracted from the tank recirculation line, passing it through the J-T valve, and then through the heat exchanger, thermal energy is extracted from the bulk liquid and ullage thereby enabling pressure control. The LH2/GHe tests were performed at fill levels of 90%, 50%, and 25% and LN2/GHe tests were conducted at fill levels of 50% and 25%. Moreover, each test was conducted with a specified tank ullage pressure control band. A one-dimensional TVS performance program was used to analyze and correlate the test data. Predictions and comparisons with test data of ullage pressure and temperature and bulk liquid saturation pressure and temperature with test data are presented.

Hedayat, A.↗

Development of Two-Moment Cloud Microphysics for Liquid and Ice Within the NASA Goddard Earth Observing System Model (GEOS-5)

This work presents the development of a two-moment cloud microphysics scheme within the version 5 of the NASA Goddard Earth Observing System (GEOS-5). The scheme includes the implementation of a comprehensive stratiform microphysics module, a new cloud coverage scheme that allows ice supersaturation and a new microphysics module embedded within the moist convection parameterization of GEOS-5. Comprehensive physically-based descriptions of ice nucleation, including homogeneous and heterogeneous freezing, and liquid droplet activation are implemented to describe the formation of cloud particles in stratiform clouds and convective cumulus. The effect of preexisting ice crystals on the formation of cirrus clouds is also accounted for. A new parameterization of the subgrid scale vertical velocity distribution accounting for turbulence and gravity wave motion is developed. The implementation of the new microphysics significantly improves the representation of liquid water and ice in GEOS-5. Evaluation of the model shows agreement of the simulated droplet and ice crystal effective and volumetric radius with satellite retrievals and in situ observations. The simulated global distribution of supersaturation is also in agreement with observations. It was found that when using the new microphysics the fraction of condensate that remains as liquid follows a sigmoidal increase with temperature which differs from the linear increase assumed in most models and is in better agreement with available observations. The performance of the new microphysics in reproducing the observed total cloud fraction, longwave and shortwave cloud forcing, and total precipitation is similar to the operational version of GEOS-5 and in agreement with satellite retrievals. However the new microphysics tends to underestimate the coverage of persistent low level stratocumulus. Sensitivity studies showed that the simulated cloud properties are robust to moderate variation in cloud microphysical parameters. However significant sensitivity in ice cloud properties was found to variation in the dispersion of the ice crystal size distribution and the critical size for ice autoconversion. The implementation of the new microphysics leads to a more realistic representation of cloud processes in GEOS-5 and allows the linkage of cloud properties to aerosol emissions.

Aerosol-Cloud Interactions↗

Automation is all you need: Faster Earth system models with AI/ML

Focal Area: Data acquisition and assimilation enabled by machine learning (ML), artificial intelligence (AI) and advanced methods. Science Challenge: Tropical cyclones can in- duce extreme water cycle events through dramatic precipitation and storm surge. More reliable models of intensity will translate into better prediction of the impact of extreme events in large scale Earth systems simulations. We demonstrate and describe AI/ML methodologies for rapid assimilation of new, in situ data products.

54 ENVIRONMENTAL SCIENCES↗

Simulations of carbon dioxide push-pull into a conjugate fault system modeled after Dixie Valley—Sensitivity analysis of significant parameters and uncertainty prediction by data-worth analysis

Characterizing the faults and fractures that provide flow pathways for efficient geothermal energy production is critical for design of sustainable geothermal energy production. Both natural faults and stimulated fractures in enhanced geothermal systems (EGS) are difficult to image and map by seismic methods because hot brine filling the fractures and faults does not create a strong seismic property contrast relative to surrounding rock. We investigate here the technical feasibility of using supercritical CO 2 (scCO 2 ) injection into faults in a single-well push-pull scenario to characterize the hydraulic properties of the fault zone by emplacing scCO 2 that can serve as a contrast fluid for seismic monitoring. We develop a conceptual and numerical reservoir model of two intersecting faults based on the Dixie Valley geothermal system in Nevada, USA.

15 GEOTHERMAL ENERGY↗

Surface Segregation in Multicomponent Systems: Modeling of Surface Alloys and Alloy Surfaces

The study of surface segregation, although of great technological importance, has been largely restricted to experimental work due to limitations associated with theoretical methods. However, recent improvements in both first-particle and semi-empirical methods are opening, the doors to an array of new possibilities for surface scientists. We apply one of these techniques, the Bozzolo, Ferrante and Smith (BFS) method for alloys, which is particularly suitable for complex systems, to several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces, and the formation of surface alloys. We conclude with the study of complex NiAl-based binary, ternary and quaternary thin films (with Ti, Cr and Cu additions to NiAl). Differences and similarities between bulk and surface compositions are discussed, illustrated by the results of Monte Carlo simulations. For some binary and ternary cases, the theoretical predictions are compared to experimental results, highlighting the accuracy and value of this developing theoretical tool.

Bozzolo, Guillermo↗

Cooperative Automated Cohort Driving on Connected Infrastructure, Arterial Roadways, and Highways: Final Project Demonstration and System-of-Systems Model Correlation

This project seeks to synergize vehicle automated driving and connectivity data to improve mobility and energy efficiency of groups of mixed vehicles operating in close proximity (vehicle cohort) on various infrastructure. A custom cellular communication network links vehicles operating as a cohort with infrastructure to a centralized system-of-systems digital twin with an AI-based optimal behavior planner. The data contained in this set are from final testing and technology demonstrations to U.S. Department of Energy staff at the American Center for Mobility. The data contain single-lane, single-light scenarios; multi-lane, multi-light arterial scenarios; and limited-access highway scenarios. All test cases were derived from simulations and replicated on the test track. The project employed two and four light-duty vehicles with connectivity and drive automation for the testing. The baseline scenario without connectivity was run under the control of the system-of-systems centralized planner but operating each vehicle with an intelligent driver model controlling the velocity, lane utilization, and vehicle gap. This was to ensure the highest compatibility with the simulation in terms of dynamic behavior. The connected cohort case utilized AI optimization to perform coordinated and cooperative control for energy, as well as safe, comfortable behavior for the cohort. The dataset is appropriately named with unconnected and connected designations, with comparisons sharing the same run index number. The included PowerPoint and PDF files describe the test setup and provide an overview of results from the project. ![image](de-EE0009209_March_2023_Data_Arterial_Scenario_Results.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A robot conditioned reflex system modeled after the cerebellum.

Reduction of a theory of cerebellar function to computer software for the control of a mechanical manipulator. This reduction is achieved by considering the cerebellum, along with the higher-level brain centers which control it, as a type of finite-state machine with input entering the cerebellum via mossy fibers from the periphery and output from the cerebellum occurring via Purkinje cells. It is hypothesized that the cerebellum learns by an error-correction system similar to Perceptron training algorithms. An electromechanical model of the cerebellum is then developed for the control of a mechanical arm. The problem of modeling the granular layer which selects the set of parallel fibers which are active at any instant of time is considered, and a relevance matrix is constructed to model the relative degree of influence which mossy fibers from the various joints have on the sets of granule cells unique to each joint.

Albus, J. S.↗

Insights on Nuclear Energy from Long-Term System Models: Inter-Model Comparison Results

A variety of US electric power sector capacity expansion models are used by decision makers and analysts to evaluate competition among generation, transmission, and storage technologies to meeting the demands of the system. CEMs use least-cost optimization to identify optimal portfolios of investments capable of satisfying all specified requirements. While CEMs are a useful tool to inform pathways to meet future needs, projections can differ significantly between tools for apparently similar scenario assumptions. Differences in model structure, scope, and input assumption contribute to this issue. This work compares model response with harmonization between four modeling teams on issues significant to the representation and development of nuclear energy.

capacity expansion model↗

A Systems Model for Power Technology Assessment

A computer model is under continuing development at NASA Glenn Research Center that enables first-order assessments of space power technology. The model, an evolution of NASA Glenn's Array Design Assessment Model (ADAM), is an Excel workbook that consists of numerous spreadsheets containing power technology performance data and sizing algorithms. Underlying the model is a number of databases that contain default values for various power generation, energy storage and power management and distribution component parameters. These databases are actively maintained by a team of systems analysts so that they contain state-of-art data as well as the most recent technology performance projections. Sizing of the power subsystems can be accomplished either by using an assumed mass specific power (W/kg) or energy (Wh/kg) or by a bottoms-up calculation that accounts for individual component performance and masses. The power generation, energy storage and power management and distribution subsystems are sized for given mission requirements for a baseline case and up to three alternatives. This allows four different power systems to be sized and compared using consistent assumptions and sizing algorithms. The component sizing models contained in the workbook are modular so that they can be easily maintained and updated. All significant input values have default values loaded from the databases that can be over-written by the user. The default data and sizing algorithms for each of the power subsystems are described in some detail. The user interface and workbook navigational features are also discussed. Finally, an example study case that illustrates the model's capability is presented.

Hoffman, David J.↗

Development of HPWH System Model, Using All Microchannel Heat Exchangers

In this report, 24-hour energy factor (EF) and first-hour draw rating (FHR) simulations were conducted on two heat pump water heater systems (HPWHs), one using a fin-and-tube evaporator and wrapped-tank condenser coil with D-shape tubes, and the other using a micro-channel evaporator and wrapped-tank condenser coil with microchannel tubes. Alternative refrigerants as drop-in replacements of R-134a were evaluated, including R-1234yf, R-1234ze(E), propane (R-290), R-450A and R-513A. The results are summarized below: 1.Microchannel heat exchangers can decrease the system charge down to 30% relative to fin-and-tube evaporator and wrapped-tank D tubes.2.Having the same contact surface area to the water tank and evaporator frontal flow area, the system using microchannel heat exchangers (MHXs) results in 5% efficiency degradation. Due to the very small cross-sectional flow area of a microchannel tube, MHXs tend to have multiple parallel tubes to restrict the refrigerant pressure drop. The parallel pattern can’t utilize the water temperature stratification as effectively as the D-shape tubes, which are arranged in one or two circuits and counter flow to the water stratification. 3.Refrigerant drop-in system simulations were conducted for R-1234yf, R-1234ze(E), propane, R450A and R513A in comparison to R-134a. Among the alternatives, propane has the largest volumetric capacity, which results in shortest HPWH run time and highest first-hour rating. Propane leads to the smallest energy factor because its largest volumetric capacity overloads the heat exchangers. R-1234ze(E) has the smallest volumetric capacity, highest energy factor, but smallest first-hour rating. R-1234yf, R-450A and R-513A achieve similar performance indices as R-134a. 4.Propane requires the least refrigerant mass (45% relative to R-134a). If a wrapped-tank microchannel condenser and microchannel evaporator are used, the required system charge can be limited below 150 grams, which makes it feasible to use propane for domestic HPWH.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Integrated Real-Time Modeling System for Heliospheric Space Weather Forecasting

The Sun lies at the center of space weather and is the source of its variability. The primary input to coronal and solar wind models is the activity of the magnetic field in the solar photosphere. What is needed is to develop physics-based models for the dynamics of the magnetic field from the deep convection zone of the Sun to the corona with the goal of providing robust near real-time boundary conditions at the base of space weather forecast models. NASA strategic capabilities efforts toward this goal will be summarized during the talk. These have the objective to enable characterizing and predicting the magnetic field structure and flow dynamics of the Sun by assimilating data from helioseismology and magnetic field observations into physics-based realistic magnetohydrodynamics (MHD) simulations. It is argued that an effort in integrating first-principle modeling of solar magnetism and flow dynamics with real-time observational data via advanced data assimilation methods is needed for transformative steps in space weather research and prediction.

Mansour, Nagi N.↗

Implementation of a Three-Dimensional Planetary Boundary Layer Parameterization in a Coupled Modeling System and Evaluation of "Gray Zone" Simulations of a Wind-Wave Event Off the US California Coast Using Observations

A three-dimensional (3D) planetary boundary layer (PBL) parameterization was added to the Coupled Ocean Atmosphere Wave Sediment Transport (COAWST) model and the first coupled atmosphere/wave "gray zone" simulations were carried out using the 3D PBL parameterization. A case study of a significant wind-wave event from 4-8 November 2020 off the US west coast was examined, with a focus on the impacts of the event within an approximate 280x280 km central California coastal region covering the Bureau of Ocean Energy Management Morro Bay wind energy lease area. Simulations with both one-dimensional (1D; Yonsei University) and 3D PBL parameterizations were examined in this nest with ..delta..x=400 m. Two-way coupling was active, with near-surface winds feeding back to the wave model and bulk wave statistics feeding back to the atmospheric model. Both simulations compared favorably with buoy observations in capturing the timing and magnitude of wind speed, temperature, dewpoint, and significant wave height, as the front associated with the maritime weather system moved southward across coastal California. However, wind speed errors over land were larger. Time series of the vertical profile of winds below z=250 m from the simulations compared favorably with observations from the US Dept. of Energy Morro Bay Doppler lidar buoy. Differences between the coupled 1D and 3D PBL simulations were minor. The most notable difference was that the simulation using the 3D PBL parameterization had approximately 10 % weaker winds at the peak of the event causing 10 % lower significant wave heights. This difference was shown to be mostly due to differences in the vertical mixing treatment between the parameterizations, in particular the nonlocal downward mixing of higher momentum air in the 1D Yonsei University parameterization in convective conditions. Overall, this work demonstrates that the 3D PBL parameterization can be used in a coupled atmosphere/wave modeling framework with similar behaviors as traditional PBL parameterizations that do not provide horizontal turbulent variances and fluxes.

16 TIDAL AND WAVE POWER↗

Unique natural system modeling aspects of the H-Tank Farm at the Savannah river site - 15271

The U.S. Department of Energy (DOE) is in the process of closing radioactive waste storage tanks at the Savannah River Site (SRS). One of the key technical documents supporting closure and regulatory decision documents is the Performance Assessment (PA). PAs within the DOE complex are performance-based, risk-informed analyses of the fate and transport of residual contaminants, in this case any residual material remaining following cleaning and closure of the tank systems. There are two active radioactive waste storage facilities at SRS, F-Tank Farm (FTF) and H-Tank Farm (HTF), which consist of 51 carbon steel waste tanks. To date, six tanks have been emptied and closed in FTF. Activities are currently in progress to support closure of the first tanks in HTF. A PA has been developed for HTF and includes modeling that takes into account the unique aspects of the natural system associated with HTF. These unique aspects include the water table elevation in relation to the tanks and the complex flow patterns of the groundwater beneath HTF. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Quick Urban and Industrial Complex (QUIC) CBR Plume Modeling System: Validation-Study Document

This document contains information on QUIC validation studies that have been performed to evaluate the wind, pressure, and concentration solutions produced by QUIC. Tests of QUIC's source term models and specialized transport mechanisms (e.g., buoyancy algorithms, particle settling and deposition, liquid pool growth, droplet and pool evaporation) are also provided. A brief description of the experiment, a few example validation results, and references to journal articles, reports, and/or presentations are given. Both LANL and non-LANL sources are provided.

54 ENVIRONMENTAL SCIENCES↗

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation and Intercomparison of Wildfire Smoke Forecasts from Multiple Modeling Systems for the 2019 Williams Flats Fire

Wildfire smoke is one of the most significant concerns of human and environmental health, associated with its substantial impacts on air quality, weather, and climate. However, biomass burning emissions and smoke remain among the largest sources of uncertainties in air quality forecasts. In this study, we evaluate the smoke emissions and plume forecasts from 12 state-of-the-art air quality forecasting systems during the Williams Flats fire in Washington State, US, August 2019, which was intensively observed during the Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) field campaign. Model forecasts with lead times within 1 d are intercompared under the same framework based on observations from multiple platforms to reveal their performance regarding fire emissions, aerosol optical depth (AOD), surface PM2.5, plume injection, and surface PM2.5 to AOD ratio. The comparison of smoke organic carbon (OC) emissions suggests a large range of daily totals among the models, with a factor of 20 to 50. Limited representations of the diurnal patterns and day-to-day variations of emissions highlight the need to incorporate new methodologies to predict the temporal evolution and reduce uncertainty of smoke emission estimates. The evaluation of smoke AOD (sAOD) forecasts suggests overall underpredictions in both the magnitude and smoke plume area for nearly all models, although the high-resolution models have a better representation of the fine-scale structures of smoke plumes. The models driven by fire radiative power (FRP)-based fire emissions or assimilating satellite AOD data generally outperform the others. Additionally, limitations of the persistence assumption used when predicting smoke emissions are revealed by substantial underpredictions of sAOD on 8 August 2019, mainly over the transported smoke plumes, owing to the underestimated emissions on 7 August. In contrast, the surface smoke PM2.5 (sPM2.5) forecasts show both positive and negative overall biases for these models, with most members presenting more considerable diurnal variations of sPM2.5. Overpredictions of sPM2.5 are found for the models driven by FRP-based emissions during nighttime, suggesting the necessity to improve vertical emission allocation within and above the planetary boundary layer (PBL). Smoke injection heights are further evaluated using the NASA Langley Research Center's Differential Absorption High Spectral Resolution Lidar (DIAL-HSRL) data collected during the flight observations. As the fire became stronger over 3–8 August, the plume height became deeper, with a day-to-day range of about 2–9 km a.g.l. However, narrower ranges are found for all models, with a tendency of overpredicting the plume heights for the shallower injection transects and underpredicting for the days showing deeper injections. The misrepresented plume injection heights lead to inaccurate vertical plume allocations along the transects corresponding to transported smoke that is 1 d old. Discrepancies in model performance for surface PM2.5 and AOD are further suggested by the evaluation of their ratio, which cannot be compensated for by solely adjusting the smoke emissions but are more attributable to model representations of plume injections, besides other possible factors including the evolution of PBL depths and aerosol optical property assumptions. By consolidating multiple forecast systems, these results provide strategic insight on pathways to improve smoke forecasts.

AOD↗