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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS2002

An Intercomparison of 2-D Models Within a Common Framework

A model intercomparison among the Atmospheric and Environmental Research (AER) 2-D model, the Goddard Space Flight Center (GSFC) 2-D model, and the Lawrence Livermore National Laboratory 2-D model allows us to separate differences due to model transport from those due to the model's chemical formulation. This is accomplished by constructing two hybrid models incorporating the transport parameters of the GSFC and LLNL models within the AER model framework. By comparing the results from the native models (AER and e.g. GSFC) with those from the hybrid model (e.g. AER chemistry with GSFC transport), differences due to chemistry and transport can be identified. For the analysis, we examined an inert tracer whose emission pattern is based on emission from a High Speed Civil Transport (HSCT) fleet; distributions of trace species in the 2015 atmosphere; and the response of stratospheric ozone to an HSCT fleet. Differences in NO(y) in the upper stratosphere are found between models with identical transport, implying different model representations of atmospheric chemical processes. The response of O3 concentration to HSCT aircraft emissions differs in the models from both transport-dominated differences in the HSCT-induced perturbations of H2O and NO(y) as well as from differences in the model represent at ions of O3 chemical processes. The model formulations of cold polar processes are found to be the most significant factor in creating large differences in the calculated ozone perturbations

Weisenstein, Debra K.↗

DOE OSTI2020

SMART Mobility. Urban Science Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The Urban Science (US) Pillar focuses on maximum-mobility and minimum-energy opportunities associated with emerging transportation and transportation-related technologies specifically within the urban context. Such technologies, often referred to as automated, connected, efficient (or electrified), and shared (ACES), have the potential to greatly improve mobility and related quality of life in urban areas. Although all the SMART Mobility research pillars share some commonalities, Urban Science strives to model, analyze, and gain insights from the perspective of human settlements (the “city”) as a living organism. This is especially critical as the United States is one of the most urbanized countries, and as more and more of the global population migrates to urban areas.1 The urban mobility system consists of a complex network that reaches well beyond roads and vehicles and includes significant investments in public transit, private mobility services (such as taxis and transportation network companies, or TNCs), significant parking reserves, and curb management practices, not to mention the abundance of emerging on-demand micromobility services for the movement of people and goods such as e-bikes and scooters, which make the urban space a dynamic laboratory for mobility. Urban spaces also concentrate employment, markets, services, and attractions, which are the destinations for most trips. The concentration of human activities and ensuing density also creates the need and emphasis for space efficiency in urban environments, which is often less of a constraint in suburban or rural contexts. This mixture of transportation and mobility infrastructure and practice, combined with global urbanization trends, make urban spaces a critical focus of research for developing energy-efficient mobility systems (EEMS).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

High-Resolution Frequency-Domain Spectroscopic and Modeling Studies of Photosystem I (PSI), PSI Mutants and PSI Supercomplexes

Photosystem I (PSI) is one of the two main pigment–protein complexes where the primary steps of oxygenic photosynthesis take place. This review describes low-temperature frequency-domain experiments (absorption, emission, circular dichroism, resonant and non-resonant hole-burned spectra) and modeling efforts reported for PSI in recent years. In particular, we focus on the spectral hole-burning studies, which are not as common in photosynthesis research as the time-domain spectroscopies. Experimental and modeling data obtained for trimeric cyanobacterial Photosystem I (PSI 3 ), PSI 3 mutants, and PSI 3 –IsiA 18 supercomplexes are analyzed to provide a more comprehensive understanding of their excitonic structure and excitation energy transfer (EET) processes. Detailed information on the excitonic structure of photosynthetic complexes is essential to determine the structure–function relationship. We will focus on the so-called “red antenna states” of cyanobacterial PSI, as these states play an important role in photochemical processes and EET pathways. The high-resolution data and modeling studies presented here provide additional information on the energetics of the lowest energy states and their chlorophyll (Chl) compositions, as well as the EET pathways and how they are altered by mutations. We present evidence that the low-energy traps observed in PSI are excitonically coupled states with significant charge-transfer (CT) character. The analysis presented for various optical spectra of PSI 3 and PSI 3 -IsiA 18 supercomplexes allowed us to make inferences about EET from the IsiA 18 ring to the PSI 3 core and demonstrate that the number of entry points varies between sample preparations studied by different groups. In our most recent samples, there most likely are three entry points for EET from the IsiA 18 ring per the PSI core monomer, with two of these entry points likely being located next to each other. Therefore, there are nine entry points from the IsiA 18 ring to the PSI 3 trimer. We anticipate that the data discussed below will stimulate further research in this area, providing even more insight into the structure-based models of these important cyanobacterial photosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Engineered bone marrow as a clinically relevant ex vivo model for primary bone cancer research and drug screening

Osteosarcoma (OS) is the most common primary malignant bone cancer in children and adolescents. While numerous other cancers now have promising therapeutic advances, treatment options for OS have remained unchanged since the advent of standard chemotherapeutics and offer less than a 25% 5-y survival rate for those with metastatic disease. This dearth of clinical progress underscores a lack of understanding of OS progression and necessitates the study of this disease in an innovative system. Here, we adapt a previously described engineered bone marrow (eBM) construct for use as a three-dimensional platform to study how microenvironmental and immune factors affect OS tumor progression. We form eBM by implanting acellular bone-forming materials in mice and explanting the cellularized constructs after 8 wk for study. We interrogate the influence of the anatomical implantation site on eBM tissue quality, test ex vivo stability under normoxic (5% O 2 ) and standard (21% O 2 ) culture conditions, culture OS cells within these constructs, and compare them to human OS samples. We show that eBM stably recapitulates the composition of native bone marrow. OS cells exhibit differential behavior dependent on metastatic potential when cultured in eBM, thus mimicking in vivo conditions. Furthermore, we highlight the clinical applicability of eBM as a drug-screening platform through doxorubicin treatment and show that eBM confers a protective effect on OS cells that parallel clinical responses. Combined, this work presents eBM as a cellular construct that mimics the complex bone marrow environment that is useful for mechanistic bone cancer research and drug screening.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Calibration verification for stochastic agent-based disease spread models

Accurate disease spread modeling is crucial for identifying the severity of outbreaks and planning effective mitigation efforts. To be reliable when applied to new outbreaks, model calibration techniques must be robust. However, current methods frequently forgo calibration verification (a stand-alone process evaluating the calibration procedure) and instead use overall model validation (a process comparing calibrated model results to data) to check calibration processes, which may conceal errors in calibration. In this work, we develop a stochastic agent-based disease spread model to act as a testing environment as we test two calibration methods using simulation-based calibration, which is a synthetic data calibration verification method. The first calibration method is a Bayesian inference approach using an empirically-constructed likelihood and Markov chain Monte Carlo (MCMC) sampling, while the second method is a likelihood-free approach using approximate Bayesian computation (ABC). Simulation-based calibration suggests that there are challenges with the empirical likelihood calculation used in the first calibration method in this context. These issues are alleviated in the ABC approach. Despite these challenges, we note that the first calibration method performs well in a synthetic data model validation test similar to those common in disease spread modeling literature. We conclude that stand-alone calibration verification using synthetic data may benefit epidemiological researchers in identifying model calibration challenges that may be difficult to identify with other commonly used model validation techniques.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

A parametric SPICE model for the simulation of spark gap switches

The use of SPICE-based software for the simulation of pulsed power systems—even large complex systems—has become commonplace in the pulsed power community. This is in contrast to earlier work in the field that relied on specially developed simulation codes such as Sandia’s Screamer or the Navy Research Lab’s Bertha, which natively incorporated models for common pulsed power components such as spark gap switches. Unlike these programs, SPICE programs provide a simple and familiar user interface and wide availability. However, SPICE programs do not include realistic models for key pulsed power circuit devices—including the spark gap switch. While simple switch models do exist in SPICE programs, these can only crudely approximate the behavior of a spark gap. This effort focuses on developing an SPICE circuit model for a gas-filled spark gap switch that is physically realistic while being simple enough to permit simulations to run in reasonable times on typical personal computers. Detailed information is provided for implementation in two common versions of SPICE: LTspice and Orcad PSPICE. Adaptation to other SPICE programs is possible with minimal modification. The model is intended as a design tool that uses physical parameters as inputs to connect it directly to the development of useable pulsed power systems. Data collected from the operation of a high-pressure pulsed-charged switch and a complete 12-stage Marx generator have been used to demonstrate the implementation and accuracy of the model over a wide range of parameters.

Pouncey, J. Cameron (ORCID:0000000153500816)↗

DOE OSTI2024

Materials data science using CRADLE: A distributed, data-centric approach

Abstract There is a paradigm shift towards data-centric AI, where model efficacy relies on quality, unified data. The common research analytics and data lifecycle environment (CRADLE™) is an infrastructure and framework that supports a data-centric paradigm and materials data science at scale through heterogeneous data management, elastic scaling, and accessible interfaces. We demonstrate CRADLE’s capabilities through five materials science studies: phase identification in X-ray diffraction, defect segmentation in X-ray computed tomography, polymer crystallization analysis in atomic force microscopy, feature extraction from additive manufacturing, and geospatial data fusion. CRADLE catalyzes scalable, reproducible insights to transform how data is captured, stored, and analyzed. Graphical abstract

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Integrated Process-Structure-Property Simulations for Additive Manufacturing Using the Open-Source Materialite Package

The microstructure and properties of additively manufactured (AM) metals are strongly dependent on process conditions. Therefore, process-structure-property (PSP) simulations are a useful tool for exploring process parameter space, studying process variations, and quantifying uncertainty in material properties. However, integrating process-structure and structure-property simulations often involves connecting multiple software packages. Each package may use unique data structures and require substantial domain knowledge. This presentation demonstrates PSP simulation capabilities of Materialite, an open-source package developed at NASA Langley Research Center. Materialite simplifies model linkages by using a common data structure and model interface, enabling straightforward simulation across a PSP model chain. Physics-based models, including kinetic Monte Carlo and crystal plasticity, are implemented within the package. The model interface is also intended to simplify implementation of new models and enable integration with external simulation tools. Example use cases include uncertainty quantification with PSP models and GPU-accelerated powder bed fusion AM process models.

additive manufacturing↗

NASA NTRS2013

The Impact of the Assimilation of Hyperspectral Infrared Retrieved Profiles on Advanced Weather and Research Model Simulations of a Non-Convective Wind Event

Non-convective wind events commonly occur with passing extratropical cyclones and have significant societal and economic impacts. Since non-convective winds often occur in the absence of specific phenomena such as a thunderstorm, tornado, or hurricane, the public are less likely to heed high wind warnings and continue daily activities. Thus non-convective wind events result in as many fatalities as straight line thunderstorm winds. One physical explanation for non-convective winds includes tropopause folds. Improved model representation of stratospheric air and associated non-convective wind events could improve non-convective wind forecasts and associated warnings. In recent years, satellite data assimilation has improved skill in forecasting extratropical cyclones; however errors still remain in forecasting the position and strength of extratropical cyclones as well as the tropopause folding process. The goal of this study is to determine the impact of assimilating satellite temperature and moisture retrieved profiles from hyperspectral infrared (IR) sounders (i.e. Atmospheric Infrared Sounder (AIRS), Cross-track Infrared and Microwave Sounding Suite (CrIMSS), and Infrared Atmospheric Sounding Interferometer (IASI)) on the model representation of the tropopause fold and an associated high wind event that impacted the Northeast United States on 09 February 2013. Model simulations using the Advanced Research Weather Research and Forecasting Model (ARW) were conducted on a 12-km grid with cycled data assimilation mimicking the operational North American Model (NAM). The results from the satellite assimilation run are compared to a control experiment (without hyperspectral IR retrievals), Modern Era-Retrospective Analysis for Research and Applications (MERRA) reanalysis, and Rapid Refresh analyses.

Berndt, Emily↗

NASA NTRS2013

Impact of the Assimilation of Hyperspectral Infrared Profiles on Advanced Weather and Research Model Simulations of a Non-Convective Wind Event

Non-convective wind events commonly occur with passing extratropical cyclones and have significant societal and economic impacts. Since non-convective winds often occur in the absence of specific phenomena such as a thunderstorm, tornado, or hurricane, the public are less likely to heed high wind warnings and continue daily activities. Thus non-convective wind events result in as many fatalities as straight line thunderstorm winds. One physical explanation for non-convective winds includes tropopause folds. Improved model representation of stratospheric air and associated non-convective wind events could improve non-convective wind forecasts and associated warnings. In recent years, satellite data assimilation has improved skill in forecasting extratropical cyclones; however errors still remain in forecasting the position and strength of extratropical cyclones as well as the tropopause folding process. The goal of this study is to determine the impact of assimilating satellite temperature and moisture retrieved profiles from hyperspectral infrared (IR) sounders (i.e. Atmospheric Infrared Sounder (AIRS), Cross-track Infrared and Microwave Sounding Suite (CrIMSS), and Infrared Atmospheric Sounding Interferometer (IASI)) on the model representation of the tropopause fold and an associated high wind event that impacted the Northeast United States on 09 February 2013. Model simulations using the Advanced Research Weather Research and Forecasting Model (ARW) were conducted on a 12-km grid with cycled data assimilation mimicking the operational North American Model (NAM). The results from the satellite assimilation run are compared to a control experiment (without hyperspectral IR retrievals), North American Regional Reanalysis (NARR) reanalysis, and Rapid Refresh analyses.

Berndt, Emily B.↗

NASA NTRS2014

Impact of the Assimilation of Hyperspectral Infrared Retrieved Profiles on Advanced Weather and Research Model Simulations of a Non-Convective Wind Event

Berndt, E. B.↗

NASA NTRS2014

Impact of the Assimilation of Hyperspectral Infrared Retrieved Profiles on Advanced Weather and Research Model Simulations of a Non-Convective Wind Event

Non-convective wind events commonly occur with passing extratropical cyclones and have significant societal and economic impacts. Since non-convective winds often occur in the absence of specific phenomena such as a thunderstorm, tornado, or hurricane, the public are less likely to heed high wind warnings and continue daily activities. Thus non-convective wind events result in as many fatalities as straight line thunderstorm winds. One physical explanation for non-convective winds includes tropopause folds. Improved model representation of stratospheric air and associated non-convective wind events could improve non-convective wind forecasts and associated warnings. In recent years, satellite data assimilation has improved skill in forecasting extratropical cyclones; however errors still remain in forecasting the position and strength of extratropical cyclones as well as the tropopause folding process. The goal of this study is to determine the impact of assimilating satellite temperature and moisture retrieved profiles from hyperspectral infrared (IR) sounders (i.e. Atmospheric Infrared Sounder (AIRS), Cross-track Infrared and Microwave Sounding Suite (CrIMSS), and Infrared Atmospheric Sounding Interferometer (IASI)) on the model representation of the tropopause fold and an associated high wind event that impacted the Northeast United States on 09 February 2013. Model simulations using the Advanced Research Weather Research and Forecasting Model (ARW) were conducted on a 12-km grid with cycled data assimilation mimicking the operational North American Model (NAM). The results from the satellite assimilation run are compared to a control experiment (without hyperspectral IR retrievals), 32-km North American Regional Reanalysis (NARR) interpolated to a 12-km grid, and 13-km Rapid Refresh analyses.

Berndt, E. B.↗

NASA NTRS2010

The Role of Hierarchy in Response Surface Modeling of Wind Tunnel Data

This paper is intended as a tutorial introduction to certain aspects of response surface modeling, for the experimentalist who has started to explore these methods as a means of improving productivity and quality in wind tunnel testing and other aerospace applications. A brief review of the productivity advantages of response surface modeling in aerospace research is followed by a description of the advantages of a common coding scheme that scales and centers independent variables. The benefits of model term reduction are reviewed. A constraint on model term reduction with coded factors is described in some detail, which requires such models to be well-formulated, or hierarchical. Examples illustrate the consequences of ignoring this constraint. The implication for automated regression model reduction procedures is discussed, and some opinions formed from the author s experience are offered on coding, model reduction, and hierarchy.

DeLoach, Richard↗

DOE OSTI2023

The STAT7 Code for Statistical Propagation of Uncertainties in Steady State Thermal Hydraulics Analysis of Plate Fueled Reactors

The STAT7 software was developed to perform steady-state thermal hydraulic analyses. Application of the software is for non-power research and test reactors, including conversion to low-enriched uranium fuel of U.S. High-Performance Research Reactors such as MITR-II. Since it can be necessary to repeat analysis during fuel reloading, STAT7 accommodates flexibility in analyzing many realistic aspects of reactor fuel management. STAT7 uses a Monte Carlo approach to model common fabrication parameters and other key reactor analysis uncertainties required for research and test reactor thermal hydraulic analyses. These safety calculations are ultimately intended to protect against high fuel plate temperatures due to critical heat flux or departure from nucleate boiling or onset of flow instability; but additional margin is obtained by basing the limiting safety settings on avoiding onset of nucleate boiling. STAT7 can simultaneously analyze all of the axial nodes of all of the fuel plates and all of the coolant channels for one lateral stripe of a fuel element. The stripes run the length of the fuel, from the bottom to the top. Power splits are calculated for each axial node of each plate to determine how much of the power goes out each face of the plate. By running STAT7 multiple times, full core analysis can be performed by analyzing the margin to onset of nucleate boiling and onset of flow instability for each axial node of each stripe of each plate of each element in the core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2021

Technical Note: AQMEII4 Activity 1: Evaluation of Wet and Dry Deposition Schemes as an Integral Part of Regional-scale Air Quality Models

We present in this technical note the research protocol for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This research initiative is divided into two activities, collectively having three goals: (i) to define the current state of the science with respect to representations of wet and especially dry deposition in regional models, (ii) to quantify the extent to which different dry deposition parameterizations influence retrospective air pollutant concentration and flux predictions, and (iii) to identify, through the use of a common set of detailed diagnostics, sensitivity simulations, model evaluation, and reduction of input uncertainty, the specific causes for the current range of these predictions. Activity 1 is dedicated to the diagnostic evaluation of wet and dry deposition processes in regional air quality models (described in this paper), and Activity 2 to the evaluation of dry deposition point models against ozone flux measurements at multiple towers with multiyear observations (to be described in future submissions as part of the special issue on AQMEII4). The scope of this paper is to present the scientific protocols for Activity 1, as well as to summarize the technical information associated with the different dry deposition approaches used by the participating research groups of AQMEII4. In addition to describing all common aspects and data used for this multi-model evaluation activity, most importantly, we present the strategy devised to allow a common process-level comparison of dry deposition obtained from models using sometimes very different dry deposition schemes. The strategy is based on adding detailed diagnostics to the algorithms used in the dry deposition modules of existing regional air quality models, in particular archiving diagnostics specific to land use–land cover (LULC) and creating standardized LULC categories to facilitate cross-comparison of LULC-specific dry deposition parameters and processes, as well as archiving effective conductance and effective flux as means for comparing the relative influence of different pathways towards the net or total dry deposition. This new approach, along with an analysis of precipitation and wet deposition fields, will provide an unprecedented process-oriented comparison of deposition in regional air quality models. Examples of how specific dry deposition schemes used in participating models have been reduced to the common set of comparable diagnostics defined for AQMEII4 are also presented.

Air Quality Model Evaluation International Initiat↗

DOE OSTI2025

The Tropical Basin Interaction Model Intercomparison Project (TBIMIP)

Abstract. Large-scale interaction between the three tropical ocean basins is an area of intense research that is often conducted through experimentation with numerical models. A common problem is that modeling groups use different experimental setups, which makes it difficult to compare results and delineate the role of model biases from differences in experimental setups. To address this issue, an experimental protocol for examining interaction between the tropical basins is introduced. The Tropical Basin Interaction Model Intercomparison Project (TBIMIP) consists of experiments in which sea surface temperatures (SSTs) are prescribed to follow observed values in selected basins. There are two types of experiments. One type, called standard pacemaker, consists of simulations in which SSTs are restored to observations in selected basins during a historical simulation. The other type, called pacemaker hindcast, consists of seasonal hindcast simulations in which SSTs are restored to observations during 12-month forecast periods. TBIMIP is coordinated by the Climate and Ocean – Variability, Predictability, and Change (CLIVAR) Research Focus on Tropical Basin Interaction. The datasets from the model simulations will be made available to the community to facilitate and stimulate research on tropical basin interaction and its role in seasonal-to-decadal variability and climate change.

Richter, Ingo↗

NASA NTRS1975

Comparison of model and flight test data for an augmented jet flap STOL research aircraft

Aerodynamic design data for the Augmented Jet Flap STOL Research Aircraft or commonly known as the Augmentor-Wing Jet-STOL Research Aircraft was based on results of tests carried out on a large scale research model in the NASA Ames 40- by 80-Foot Wind Tunnel. Since the model differs in some respects from the aircraft, precise correlation between tunnel and flight test is not expected, however the major areas of confidence derived from the wind tunnel tests are delineated, and for the most part, tunnel results compare favorably with flight experience. In some areas the model tests were known to be nonrepresentative so that a degree of uncertainty remained: these areas of greater uncertainty are identified, and discussed in the light of subsequent flight tests.

Cook, W. L.↗

NASA NTRS1953

Air-water analogy and the study of hydraulic models

The author first sets forth some observations about the theory of models. Then he established certain general criteria for the construction of dynamically similar models in water and in air, through reference to the perfect fluid equations and to the ones pertaining to viscous flow. It is, in addition, pointed out that there are more cases in which the analogy is possible than is commonly supposed.

SIMILITUDE↗