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NASA NTRS2008

Incorporating Satellite Time-Series Data into Modeling

In situ time series observations have provided a multi-decadal view of long-term changes in ocean biology. These observations are sufficiently reliable to enable discernment of even relatively small changes, and provide continuous information on a host of variables. Their key drawback is their limited domain. Satellite observations from ocean color sensors do not suffer the drawback of domain, and simultaneously view the global oceans. This attribute lends credence to their use in global and regional model validation and data assimilation. We focus on these applications using the NASA Ocean Biogeochemical Model. The enhancement of the satellite data using data assimilation is featured and the limitation of tongterm satellite data sets is also discussed.

Gregg, Watson↗

NASA NTRS2011

Atmospheric Composition Change: Climate-Chemistry Interactions

Chemically active climate compounds are either primary compounds such as methane (CH4), removed by oxidation in the atmosphere, or secondary compounds such as ozone (O3), sulfate and organic aerosols, formed and removed in the atmosphere. Man-induced climate-chemistry interaction is a two-way process: Emissions of pollutants change the atmospheric composition contributing to climate change through the aforementioned climate components, and climate change, through changes in temperature, dynamics, the hydrological cycle, atmospheric stability, and biosphere-atmosphere interactions, affects the atmospheric composition and oxidation processes in the troposphere. Here we present progress in our understanding of processes of importance for climate-chemistry interactions, and their contributions to changes in atmospheric composition and climate forcing. A key factor is the oxidation potential involving compounds such as O3 and the hydroxyl radical (OH). Reported studies represent both current and future changes. Reported results include new estimates of radiative forcing based on extensive model studies of chemically active climate compounds such as O3, and of particles inducing both direct and indirect effects. Through EU projects such as ACCENT, QUANTIFY, and the AEROCOM project, extensive studies on regional and sector-wise differences in the impact on atmospheric distribution are performed. Studies have shown that land-based emissions have a different effect on climate than ship and aircraft emissions, and different measures are needed to reduce the climate impact. Several areas where climate change can affect the tropospheric oxidation process and the chemical composition are identified. This can take place through enhanced stratospheric-tropospheric exchange of ozone, more frequent periods with stable conditions favouring pollution build up over industrial areas, enhanced temperature-induced biogenic emissions, methane releases from permafrost thawing, and enhanced concentration through reduced biospheric uptake. During the last 510 years, new observational data have been made available and used for model validation and the study of atmospheric processes. Although there are significant uncertainties in the modelling of composition changes, access to new observational data has improved modelling capability. Emission scenarios for the coming decades have a large uncertainty range, in particular with respect to regional trends, leading to a significant uncertainty range in estimated regional composition changes and climate impact.

Atmosphere climate chemistry↗

NASA NTRSDate not supplied

Laboratory Demonstration of High Contrast with the PIAACMC Coronagraph on an Obstructed and Segmented Aperture

Coronagraphs (together with starshades) are an important tool to directly image and characterize exoplanets, and enable the search for biomarkers in reflected light on potentially habitable worlds. Their performance and efficiency has steadily been improving over the past several decades, but has not yet reached performance limits. In particular, the expected exoplanet yield for missions such as the Astro2020-recommended “IR/O/UV Flagship” can still be improved by factors of at least 2-3, simply by continued improvements in coronagraph performance, before they plateau due to physics limits. One possible architecture that can enable at least a part of this improvement is the Phase-Induced Amplitude Apodization Complex Mask Coronagraph (PIAACMC). Itoffersthe advantages of high throughput, small inner working angle (IWA),and almost noloss inPSF sharpness, and natively supports obstructed and segmented apertures, which is essential to the Astro2020 “IR/O/UV Flagship”mission. Historically, key disadvantages of PIAA have been poor tolerance to stellar angular sizes and maturity, but latest designs and demonstrations have made significant strides in this respect.In this paper, we present the current status and overview of our program to mature the PIAACMC technology. We first review PIAACMC designs for LUVOIR-A and B, which resultedin improved expected yield of Exo-Earths relative tothe baselines for both mission concepts. In particular, for LUVOIR-B, the yield improves from 28 to 42due to improvedtolerance to stellar angular size in our design. The improvement in yield is marginal for LUVOIR-A, but our design enables detecting planets around smaller diameter stars (nearby K-dwarfs and/or farther FG stars). We also describe our modeling and vacuum demonstrationsfor the LUVOIR-A aperture(which is more challengingthan LUVOIR-B due to the central obstruction).The demonstration included a LUVOUR-A pupil mask, an on-axis PIAA set of 2 mirrors with central holes, a Boston Micromachines DM, a patterned CMC mask, Lyot stop, and supporting masks and optics. Demonstrations were conducted at JPL’s High Contrast Imaging Testbed (HCIT) using several characterization andwavefront control techniques (primarily standard EFC, several experimental techniques were attempted, as well as speckle nulling). So far, our results include 1.9e-8 raw contrast in 10% broadband light between 3.5 and 8 l/D; 4.1e-8 and 1.6e-9 coherent contrasts in monochromatic light between 2-4 and 4-8 l/D, respectively. We also present measurements and analysis of sensitivity to tip/tilt jitter and stellar angular size. Finally, we compare our test results to models, present an analysis of our limiting factors, and explorefuture prospectsfor improvement based on validated models.

Coronagraph↗

NASA NTRS2011

Validation of Space Weather Models at Community Coordinated Modeling Center

The Community Coordinated Modeling Center (CCMC) is a multi-agency partnership to support the research and developmental work necessary to substantially increase space weather modeling capabilities and to facilitate advanced models deployment in forecasting operations. Space weather models and coupled model chains hosted at the CCMC range from the solar corona to the Earth's upper atmosphere. CCMC has developed a number of real-time modeling systems, as well as a large number of modeling and data products tailored to address the space weather needs of NASA's robotic missions. The CCMC conducts unbiased model testing and validation and evaluates model readiness for operational environment. CCMC has been leading recent comprehensive modeling challenges under GEM, CEDAR and SHINE programs. The presentation will focus on experience in carrying out comprehensive and systematic validation of large sets of. space weather models

Kuznetsova, M. M.↗

DOE OSTI2021

Investigation of post-injection strategies for diesel engine Catalyst Heating Operation using a vapor-liquid-equilibrium-based spray model

Most multidimensional engine simulations spend much time solving for non-equilibrium spray dynamics (atomization, collision, vaporization). However, their accuracy is limited by significant grid dependency, and the need for extensive calibration. This is critical for modeling cold-start diesel fuel post injections, which occur at low temperatures and pressures, far from typical model validation ranges. At the same time, resolving micron-scale spray phenomena would render full Eulerian multiphase calculations prohibitive. In this study, an improved phase equilibrium based approach was implemented and assessed for simulating diesel catalyst heating operation strategies. A phase equilibrium solver based on the model by Yue and Reitz [1] was implemented: a fully multiphase CFD solver is employed with an engineering-size engine grid, and fuel injection is modeled using the standard Lagrangian parcels approach. Mass and energy from the liquid parcels are released to the Eulerian multiphase mixture according to an equilibrium-based liquid jet model. An improved phase equilibrium solver was developed to handle large real-gas mixtures such as those from accurate chemical kinetics mechanisms. The liquid-jet model was improved such that momentum transfer to the Eulerian solver better reproduces the physical spray jet structure. Validation of liquid/vapor penetration predictions showed that the model yields accurate results with very limited tuning and low sensitivity to the few calibration constants. In-cylinder simulations of diesel catalyst heating operation strategies showed that capturing spray structure is paramount when short, transient injection pulses and low temperatures are present. Furthermore, the EP model provides improved predictions of post-injection spray structure and ignitability, while conventional spray modeling does not capture the increase of liquid penetration during the expansion stroke. Finally, the only important EP model calibration constant, Cliq, does not affect momentum transfer, but it changes the local charge cooling distribution through the local energy transfer, which makes it candidate to additional research. The results confirm that non-equilibrium spray processes do not need to be resolved in engineering simulations of high-pressure diesel sprays.

42 ENGINEERING↗

NASA NTRS2003

Understanding the Effect of Land Cover Classification on Model Estimates of Regional Carbon Cycling in the Boreal Forest Biome

The original objectives of this proposed 3-year project were to: 1) quantify the respective contributions of land cover and disturbance (i.e., wild fire) to uncertainty associated with regional carbon source/sink estimates produced by a variety of boreal ecosystem models; 2) identify the model processes responsible for differences in simulated carbon source/sink patterns for the boreal forest; 3) validate model outputs using tower and field- based estimates of NEP and NPP; and 4) recommend/prioritize improvements to boreal ecosystem carbon models, which will better constrain regional source/sink estimates for atmospheric C02. These original objectives were subsequently distilled to fit within the constraints of a 1 -year study. This revised study involved a regional model intercomparison over the BOREAS study region involving Biome-BGC, and TEM (A.D. McGuire, UAF) ecosystem models. The major focus of these revised activities involved quantifying the sensitivity of regional model predictions associated with land cover classification uncertainties. We also evaluated the individual and combined effects of historical fire activity, historical atmospheric CO2 concentrations, and climate change on carbon and water flux simulations within the BOREAS study region.

Kimball, John↗

NASA NTRS2012

The Connection between Model Performance on the CCMVal Transport Diagnostics and Simulated Sensitivity of Ozone to Chlorine Change

The chemistry climate models that contributed simulations for past and future ozone evolution to the 2010 Scientific Assessment of Ozone Depletion were subject to extensive evaluation by the SPARC (Stratospheric Processes and their Role in Climate) CCMVal (Chemistry-Climate Model Validation) activity. The sensitivity of ozone to changes in composition and climate varies among the models, but the relationship between these variations and the model evaluations of CCMVal is not obvious. We have learned that the transport evaluation can be used to interpret the comparisons between observed and simulated columns of chlorine reservoirs, hydrochloric acid (HCl) and chlorine nitrate (ClONO2); these comparisons were part of the CCMVal evaluation of chemistry. The simulations with best performance on the transport diagnostics most faithfully reproduce the evolution and seasonal variation of the chlorine reservoirs as observed at NDACC (Network for Detection of Atmospheric Composition Change) stations (NyAlesund 78.9N, Kiruna 67.8N, Harestua 60.2N, Jungfraujoch 46.6N, Toronto 43.6N, Kitt Peak 31.9N, Izana 28.3N, Mauna Loa 19.5N, Lauder 45S and Arrival Heights 77.8S). In the simulations, the HCl in the lower stratosphere depends on total inorganic chlorine (Cly) and partitioning between HCl and ClON02. Total inorganic chlorine depends on the fractional release of chlorine from source gases, and ratio of ClON02 to HCl is inversely dependent on methane and varies quadratically with ozone. Simulated HCl from various models may agree with observations even though Cly is in error, partitioning is in error, or both. Simulated ozone sensitivity to chlorine is shown to be greater for models that produce larger values of chlorine nitrate for background chlorine levels, and vice versa. Comparisons with the NDACC data show why the models with 'best' transport have similar sensitivity to chlorine change. The realistic evolution of the simulated HCl and ClONO2 columns suggests realistic levels of Cly in the lower atmosphere. In addition, the wide range values for the sensitivity of ozone to chlorine obtained from the CCMVal simulations is explained by the wide range in lower atmospheric columns of ClONO2 and the concomitant wide range of levels for chlorine monoxide.

Douglass, Anne↗

NASA NTRS2018

Evaluation of Modeling NO2 Concentrations Driven by Satellite-Derived and Bottom-Up Emission Inventories Using In-Situ Measurements Over China

Chemical transport models together with emission inventories are widely used to simulate NO2 concentrations over China, but validation of the simulations with in situ measurements has been extremely limited. Here we use ground measurements obtained from the air quality monitoring network recently developed by the Ministry of Environmental Protection of China to validate modeling surface NO2 concentrations from the CHIMERE regional chemical transport model driven by the satellite-derived DECSO and the bottom-up MIX emission inventories. We applied a correction factor to the observations to account for the interferences of other oxidized nitrogen compounds (NOz), based on the modeled ratio of NO2 to NOz. The model accurately reproduces the spatial variability in NO2 from in situ measurements, with a spatial correlation coefficient of over 0.7 for simulations based on both inventories. A negative and positive bias is found for the simulation with the DECSO (slopeD0.74 and 0.64 for the daily mean and daytime only) and the MIX (slopeD1.3 and 1.1) inventories, respectively, suggesting an underestimation and overestimation of NOx emissions from corresponding inventories. The bias between observed and modeled concentrations is reduced, with the slope dropping from 1.3 to 1.0 when the spatial distribution of NOx emissions in the DECSO inventory is applied as the spatial proxy for the MIX inventory, which suggests an improvement of the distribution of emissions between urban and suburban or rural areas in the DECSO inventory compared to that used in the bottom-up inventory. A rough estimate indicates that the observed concentrations, from sites predominantly placed in the populated urban areas, may be 10-40% higher than the corresponding model grid cell mean. This reduces the estimate of the negative bias of the DECSO-based simulation to the range of -30 to 0% on average and more firmly establishes that the MIX inventory is biased high over major cities. The performance of the model is comparable over seasons, with a slightly worse spatial correlation in summer due to the difficulties in resolving the more active NOx photochemistry and larger concentration gradients in summer by the model. In addition, the model well captures the daytime diurnal cycle but shows more significant disagreement between simulations and measurements during nighttime, which likely produces a positive model bias of about 15% in the daily mean concentrations. This is most likely related to the uncertainty in vertical mixing in the model at night.

NO2 modelling↗

NASA NTRS2021

The First Global 883 GHz Cloud Ice Survey: IceCube Level 1 Data Calibration, Processing and Analysis

Sub-millimeter (sub-mm, 200 - 1000 GHz) wavelengths contribute a unique capability to fill-in the sensitivity gap between operational visible/infrared (VIS/IR) and microwave (MW) remote sensing for atmosphere cloud ice and snow. Being able of penetrating cloud to measure cloud ice mass and microphysical properties in the middle to upper troposphere, this is a critical spectrum range for us to understand the connection between cloud ice and precipitation processes.5As the first space-borne 883 GHz radiometer, IceCube mission was NASA’s latest effort in spaceflight demonstration of a commercial sub-mm radiometer technology. Successfully launched from the International Space Station, IceCube is essentially a free-running radiometer and collected valuable 15-month measurements of atmosphere and cloud ice. This paper describes the detailed procedures for Level 1 data calibration, processing and validation. The scientific quality and values of IceCube data are then discussed, including radiative transfer model validation and evaluation, as well as the unique spatial distribution10and diurnal cycle of cloud ice that are revealed for the first time on a quasi-global scale at this frequency.

IceCube↗

NASA NTRS2021

The First Global 883 GHz Cloud Ice Survey: IceCube Level 1 Data Calibration, Processing and Analysis

Jie Gong↗

DOE OSTI2018

Importance of treating correlations in the uncertainty quantification of radiation damage metrics - 25461

The radiation effects community embraces the importance of quantifying uncertainty in model predictions and the importance of propagating this uncertainty into the integral metrics used to validate models, but they are not always aware of the importance of addressing the energy- and reaction-dependent correlations in the underlying uncertainty contributors. This paper presents a rigorous high-fidelity Total Monte Carlo approach that addresses the correlation in the underlying uncertainty components and quantifies the role of both energy and reaction-dependent correlations in a sample application that addresses the damage metrics relevant to silicon semiconductors. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS2005

Active Aeroelastic Wing Aerodynamic Model Development and Validation for a Modified F/A-18A Airplane

A new aerodynamic model has been developed and validated for a modified F/A-18A airplane used for the Active Aeroelastic Wing (AAW) research program. The goal of the program was to demonstrate the advantages of using the inherent flexibility of an aircraft to enhance its performance. The research airplane was an F/A-18A with wings modified to reduce stiffness and a new control system to increase control authority. There have been two flight phases. Data gathered from the first flight phase were used to create the new aerodynamic model. A maximum-likelihood output-error parameter estimation technique was used to obtain stability and control derivatives. The derivatives were incorporated into the National Aeronautics and Space Administration F-18 simulation, validated, and used to develop new AAW control laws. The second phase of flights was used to evaluate the handling qualities of the AAW airplane and the control law design process, and to further test the accuracy of the new model. The flight test envelope covered Mach numbers between 0.85 and 1.30 and dynamic pressures from 600 to 1250 pound-force per square foot. The results presented in this report demonstrate that a thorough parameter identification analysis can be used to improve upon models that were developed using other means. This report describes the parameter estimation technique used, details the validation techniques, discusses differences between previously existing F/A-18 models, and presents results from the second phase of research flights.

Cumming, Stephen B.↗

DOE OSTI2026

Model-based economic analysis under uncertainty for PFAS treatment by granular activated carbon and ion exchange technologies

Recent drinking water regulations have imposed the need for per- and polyfluoroalkyl substances (PFAS) remediation. In response, treatment facilities may be required to retrofit existing treatment schemes to treat PFAS below maximum contaminant levels (MCLs). Adsorption technologies such as granular activated carbon (GAC) and ion exchange (IX) have been demonstrated to be effective; however, there are limited techno-economic metrics available which provide guidance on technology selection and design for diverse PFAS-containing source water conditions. Process systems engineering (PSE) tools which can traditionally perform these analyses are hindered by the data availability, model validity, and understanding of treatment phenomena for emerging contaminants. This work employs published data regressions, statistical models, process models, techno-economic analyses, and other process systems tools in a model-based uncertainty framework to consider the limitations of emerging contaminant research. Through this analysis framework, economic results are provided as probabilistic distributions based on the uncertainty of the models and diverse conditions that treatment facilities experience.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Grid Modernization Laboratory Consortium - Testing and Verification

This paper highlights some of the unique testing capabilities and projects being performed at several national laboratories as part of the U. S. Department of Energy Grid Modernization Laboratory Consortium. As part of this effort, the Grid Modernization Laboratory Consortium Testing Network isbeing developed to accelerate grid modernization by enablingaccess to a comprehensive testing infrastructure and creating a repository of validated models and simulation tools that will be publicly available. This work is key to accelerating thedevelopment, validation, standardization, adoption, and deployment of new grid technologies to help meet U. S. energy goals.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Low-Cost Sulfur Thermal Storage for Solar Industrial Process Heat Applications

Industrial process heat (IPH) is one of the largest energy demands in U.S., representing about 10% of all domestic energy consumption. Fuel costs to generate this industrial process heat are generally a top three cost for industry, a major component in American manufacturing competitiveness. Roughly 60% of US IPH demand (about 6,500 TBtu annually) falls in the medium-temperature range of 100–250 °C. While concentrated solar thermal (CST) technologies can provide a cost-effective source of heat in this temperature range, solar intermittency limits their adoption in industries that operate 24/7. Element 16 Technologies, Inc. developed a low-cost sulfur thermal energy storage (TES) technology to bridge this gap by capturing excess solar heat during the day and dispatching it reliably during non-solar hours. The core innovation is the use of sulfur, an abundant, industrial waste byproduct that costs ten times less than molten salt used in commercial TES systems. The overall goal of the project was to advance the design and development of molten sulfur TES to a manufacturing-relevant prototype stage for solar industrial process heat applications, while establishing and validating a realistic pathway to commercial success. Key tasks included corrosion and mechanical durability testing to identify cost-effective materials, design investigations using physics-based simulation tools, techno-economic evaluations of system lifetime costs, and pilot-scale testing for performance verification. Corrosion testing of steel alloys under cyclic molten sulfur conditions showed that austenitic stainless steels in the 300 series performed particularly well, with no structural degradation of welds or joints. Thermal cyclic testing of pilot sulfur TES units up to 1.5 MWh quantified charge/discharge rates, heat losses, round-trip efficiency and validated the system's capability to operate effectively under intermittent charging conditions. A techno-economic model, informed by sulfur TES performance model validated using pilot test data, showed that hybrid solar+sulfur TES+NG boiler systems are economically competitive with incumbent natural gas boilers for multiple locations in the southwest US. In summary, this project established molten sulfur TES as a technically viable pathway to improve economic competitiveness of American manufacturing by lowering the cost of solar industrial process heat.

14 SOLAR ENERGY↗

NASA NTRS2006

Laboratory astrophysics on ASDEX Upgrade: Measurements and analysis of K-shell O, F, and Ne spectra in the 9 - 20 A region

High-resolution measurements of K-shell emission from O, F, and Ne have been performed at the ASDEX Upgrade tokamak in Garching, Germany. Independently measured temperature and density profiles of the plasma provide a unique test bed for model validation. We present comparisons of measured spectra with calculations based on transport and collisional-radiative models and discuss the reliability of commonly used diagnostic line ratios.

Hansen, S. B.↗

DOE OSTI2020

EVALUATION OF PRESSURE DROP CORRELATIONS FOR THE WIRE-WRAPPED ROD BUNDLES

The accurate prediction of pressure drop in the fuel rod bundle is of importance for the design and thermal-hydraulic analysis of nuclear reactor system. Due to very complex geometry of wire-wrapped fuel rod bundle geometry for the Sodium Fast Reactor (SFR), a simple method using hydraulic (equivalent) diameter is not sufficient to predict the pressure drop of rod bundle accurately. For several decades, many experimental works have been performed to develop an accurate correlation for wire-wrapped fuel bundle friction factor. In these works, the friction factor correlation of wire-wrapped fuel bundle has been developed as a function of Reynolds number of the flow and the design parameters such as fuel pin diameter, wire diameter, rod pitch, and wire lead length. The Cheng and Todreas correlations are well-known and used in many subchannel analysis code, such as CADET, TRIO-U, MATRA-LMW, SE2-ANL, etc. Novendstern model, Rehme model, Baxi and Dalle Donne model are also well-known and widely referred. Computational Fluid Dynamics is another typical approach to predict the pressure drop of wire-wrapped fuel rod bundle, but it requires the model validation because the accuracy of pressure drop prediction by the CFD simulation depends on what turbulence model is employed. The present work aims at evaluating the existing pressure drop correlations for the wire-wrapped fuel rod bundle and evaluating the pressure drop of 217-pin rod bundle by the CFD analysis.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Offshore Wind Energy Validation Experiment Hierarchy

This paper provides a summary of planning work for experiments that will be necessary to address the long-term model validation needs required to meet offshore wind energy deployment goals. Conceptual experiments are identified and laid out in a validation hierarchy for both wind turbine and wind plant applications. Instrumentation needs that will be required for the offshore validation experiments to be impactful are then listed. The document concludes with a nominal vision for how these exp

Maniaci, David Charles↗