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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Carbon and energy cost impacts of electrification of space heating with heat pumps in the US

In order to meet climate goals, it will be necessary to significantly reduce the greenhouse gases emitted by homes. A key factor in the US is to reduce the on-site combustion of fossil fuels for heating end-uses and to replace this with use of electric heat pump technologies connected to a low-carbon grid. The replacement of natural gas furnaces with electric heat pumps is a key home decarbonization strategy. However, the potential for space heating electrification to reduce greenhouse gas emissions depends on the carbon dioxide equivalent (CO 2 e) content of the electricity used by the heat pump. This varies considerably depending on the source of electricity, with large state to state variability. Furthermore, household energy costs are likely to be impacted by the electrification of space heating, because retail energy prices for both natural gas and electricity in each state vary by factors of seven and four, respectively. Contractors, energy programs, government and building code officials, as well as consumers need clear indications of the likely CO 2 e and energy cost impacts of proposed electrification projects, because these will affect decarbonization choices and rationales around scaled heating electrification. Government and utility programs also need to be aware of the likely outcomes of any supported/incentivized measures. Here, in this paper, we investigate these effects by looking at new metrics to analyze the change in CO 2 e emitted and the cost to meet home heating loads when switching from a natural gas furnace to a heat pump for the contiguous 48 states of the mainland US.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Editorial: Applications of spectroscopy and chemometrics in nuclear materials analysis

Optical analysis techniques, including spectroscopy and image analysis, have many advantages when applied to the study of nuclear materials. They require small sample sizes, can be performed remotely, and can be proceduralized through consistent practice. Most importantly, they provide a wealth of information by generating multivariate data. For example, ultraviolet–visible–near-infrared absorbance spectroscopy of actinides in aqueous and organic solutions is dependent on the oxidation state, anionic complexation, and temperature. These variables are important for solution-based separation processes, and sensitivity to these factors, combined with online monitoring, can drive the efficiency and control of these processes. The morphology and chemical composition of actinide particles can also provide a vital clue to the mechanisms by which the particles were formed, providing forensic information on the origins of the particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

An improved switching converter model

The nonlinear modeling and analysis of dc-dc converters in the continuous mode and discontinuous mode was done by averaging and discrete sampling techniques. A model was developed by combining these two techniques. This model, the discrete average model, accurately predicts the envelope of the output voltage and is easy to implement in circuit and state variable forms. The proposed model is shown to be dependent on the type of duty cycle control. The proper selection of the power stage model, between average and discrete average, is largely a function of the error processor in the feedback loop. The accuracy of the measurement data taken by a conventional technique is affected by the conditions at which the data is collected.

Shortt, D. J.↗
NASA NTRS1995

Experimental Verification of a Progressive Damage Model for IM7/5260 Laminates Subjected to Tension-Tension Fatigue

The durability and damage tolerance of laminated composites are critical design considerations for airframe composite structures. Therefore, the ability to model damage initiation and growth and predict the life of laminated composites is necessary to achieve structurally efficient and economical designs. The purpose of this research is to experimentally verify the application of a continuum damage model to predict progressive damage development in a toughened material system. Damage due to monotonic and tension-tension fatigue was documented for IM7/5260 graphite/bismaleimide laminates. Crack density and delamination surface area were used to calculate matrix cracking and delamination internal state variables to predict stiffness loss in unnotched laminates. A damage dependent finite element code predicted the stiffness loss for notched laminates with good agreement to experimental data. It was concluded that the continuum damage model can adequately predict matrix damage progression in notched and unnotched laminates as a function of loading history and laminate stacking sequence.

Coats, Timothy W.↗
NASA NTRS1999

Quasi-Periodic Oscillations in Black Hole Candidates as an Indicator of Transition Between Low and High States

By comparing positions on a spectral color-color diagram from 10 black hole candidates (BHCS) observed with Ginga (1354-64, 1826-24, 1630-47, LMC X-1, LMC X-3, GS 2000+25, GS 2023+33, GS 1124-68, Cyg X-1, and GX 339-4) with the observed broadband noise (BBN) (0.001-64 Hz) and quasi-periodic oscillation (QPO) variability, we find that the "very high state" is spectrally intermediate to the soft/high state and hard/low state. We find a transition point in spectral hardness where the dependence of the BHC QPO centroid frequency (of GS 1124-68 and GX 339-4) on spectral hardness switches from a correlation to an anticorrelation; where the BBN variability switches from high state to low state; and where the spectral hardness of the QPO relative to that of the BBN variability is a maximum. This coincidence of changing behavior in both the QPO and the broadband variability leads us to hypothesize that the QPO is due to interaction between the physical components which dominate the behaviors of BHCs when they occupy the hard/low and soft/high states. We conclude that these QPOs should be observed from BHCs during transition between these two states. Comparison with QPO and BBN behavior observed during the 1996 transition of Cyg X-1 supports this hypothesis. We also report 1-3 Hz QPOs observed in GS 2000+25 and Cyg X-1 in the hard/low state, and we compare these to the QPOs observed in GS 1124-68 and GX 339-4.

Rutledge, Robert E.↗
NASA NTRS2012

A Posteriori Study of a DNS Database Describing Super critical Binary-Species Mixing

Currently, the modeling of supercritical-pressure flows through Large Eddy Simulation (LES) uses models derived for atmospheric-pressure flows. Those atmospheric-pressure flows do not exhibit the particularities of high densitygradient magnitude features observed both in experiments and simulations of supercritical-pressure flows in the case of two species mixing. To assess whether the current LES modeling is appropriate and if found not appropriate to propose higher-fidelity models, a LES a posteriori study has been conducted for a mixing layer that initially contains different species in the lower and upper streams, and where the initial pressure is larger than the critical pressure of either species. An initially-imposed vorticity perturbation promotes roll-up and a double pairing of four initial span-wise vortices into an ultimate vortex that reaches a transitional state. The LES equations consist of the differential conservation equations coupled with a real-gas equation of state, and the equation set uses transport properties depending on the thermodynamic variables. Unlike all LES models to date, the differential equations contain, additional to the subgrid scale (SGS) fluxes, a new SGS term that is a pressure correction in the momentum equation. This additional term results from filtering of Direct Numerical Simulation (DNS) equations, and represents the gradient of the difference between the filtered pressure and the pressure computed from the filtered flow field. A previous a priori analysis, using a DNS database for the same configuration, found this term to be of leading order in the momentum equation, a fact traced to the existence of high-densitygradient magnitude regions that populated the entire flow; in the study, models were proposed for the SGS fluxes as well as this new term. In the present study, the previously proposed constantcoefficient SGS-flux models of the a priori investigation are tested a posteriori in LES, devoid of or including, the SGS pressure correction term. The present pressure-correction model is different from, and more accurate as well as less computationally intensive than that of the a priori study. The constant-coefficient SGS-flux models encompass the Smagorinsky (SMC), in conjunction with the Yoshizawa (YO) model for the trace, the Gradient (GRC) and the Scale Similarity (SSC) models, all exercised with the a priori study constant coefficients calibrated at the transitional state. The LES comparison is performed with the filtered- and-coarsened (FC) DNS, which represents an ideal LES solution. Expectably, an LES model devoid of SGS terms is shown to be considerably inferior to models containing SGS effects. Among models containing SGS effects, those including the pressure-correction term are substantially superior to those devoid of it. The sensitivity of the predictions to the initial conditions and grid size are also investigated. Thus, it has been discovered that, additional to the atmospheric-pressure models currently used, a new model is necessary to simulate supercritical-pressure flows. This model depends on the thermodynamic characteristics of the chemical species involved.

Bellan, Josette↗
DOE OSTI2020

Mobility, Energy, and Electric Vehicle Typology for New York State

Mobility patterns, technology adoption and associated energy outcomes vary tremendously across settlement types. This paper explores how a highly geographically resolved exploration of the social, economic, techno-infrastructural and environmental domains of New York State is key to understanding observed variations in transportation technology adoption and associated mobility and energy outcomes. Current socioeconomic and mobility data sets at the census block group level are integrated in a hierarchical clustering approach to show how variations in mobility and energy outcomes are shaped by these domains - which may enhance progress on investments, or effectively inform planning and other decisions for state-wide goals. The clustering produces four settlement types to predict dependent variables of electric vehicle (EV) adoption rates, commute mode, vehicle fuel economy, and vehicles per household. This typology shows EV adoption rates among the core urban population, which is wealthy and highly-educated, are high - 3 EVs/1000 vehicles versus 1 EV/1000 vehicles among the urban working class. Commuting mode is closely linked with population and employment density - more than 90% of core urbanites use transit or active modes, compared with only 22% of suburbanites and 17% of rural residents. Household vehicle ownership also varies, with 2 vehicles per household in rural areas and only 0.5 in core urban settings. Important findings on differences among the rural, suburban, urban, and urban core settlement types suggest a need to explore how best to manage and anticipate very different types of services that may be supportive in achieving energy-efficient and affordable mobility systems state-wide.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Theoretical Kinetics Predictions for Reactions on the NH 2 O Potential Energy Surface

Recent modeling studies of ammonia oxidation, which are motivated by the prospective role of ammonia as a zero-carbon fuel, have indicated significant discrepancies among the existing literature mechanisms. In this study, high-level theoretical kinetics predictions have been obtained for reactions on the NH 2 O potential energy surface, including the NH 2 + O, HNO + H, and NH + OH reactions. These reactions have previously been highlighted as important reactions in NH 3 oxidation with high sensitivity and high uncertainty. The potential energy surface is explored with coupled cluster calculations, including large basis sets and high-level corrections to yield high-accuracy (~0.2 kcal/mol 2σ uncertainty) estimates of the stationary point energies. Variational transition state theory is used to predict the microcanonical rate constants, which are then incorporated in master equation treatments of the temperature- and pressure-dependent kinetics. For radical–radical channels, the microcanonical rates are obtained from variable reaction coordinate transition state theory implementing directly evaluated multireference electronic energies. The analysis yields predictions for the total rate constants as well as the branching ratios. We find that the NO + H 2 channel contributes 10% of the total NH 2 + O flux at combustion temperatures, although this channel is not included in modern NH 3 oxidation mechanisms. Modeling is used to illustrate the ramifications of these rate predictions on the kinetics of NH 3 oxidation and NO x formation. Finally, the present results for NH 2 + O are important for predicting the chain branching and formation of NO in the oxidation of NH 3 and thermal DeNO x .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

Informing Improvements in Freeze/Thaw State Classification Using Subpixel Temperature

Freeze/thaw (FT) processes at the earth’s surface can have a considerable effect on global carbon, energy, and hydrologic cycles. Therefore, an accurate representation of FT is valuable to adequately monitor and model these processes. In this study, we assess the relationship between satellite-based FT products and modeled surface and soil temperatures over North America. In addition, hourly land surface temperature (LST) from the Geostationary Operational Environmental Satellite (GOES) system is also compared to FT classifications. Utilizing the higher spatial resolution temperatures (5 km), we assess subgrid-scale variability and its relationship to coarser microwave FT classifications (>25 km). We also examine product agreement and subpixel characteristics across the land cover, climate, and topography. FT classifications are shown to vary widely depending on these variables, leading to an ambiguous definition of frozen and thawed states. Our results suggest that current products can characterize FT transitions with consistent subfreezing surface characteristics in far northern regions (>50 °N). However, uncertainty associated with FT classifications is shown to increase considerably as latitude decreases. Our results also suggest that fractional FT products, utilizing data inputs, such as LST, would provide a considerable improvement in mountainous regions with high intergrid cell heterogeneity, in regions characterized by ephemeral FT events (i.e., regions <40 °N), as well as during freeze and thaw onset periods. This study also provides insight to improving the representation of surface FT state by providing a clearer definition of the subpixel scale temperature characteristics that govern existing frozen classifications.

Earth observing systems↗
NASA NTRS1982

Microstructural analysis of solar cell welds

Parallel-gap resistance welding of silicon solar cells with copper interconnects results in complex microstructural variations that depend on the welding variables. At relatively low heat input solid-state welds are produced. At medium heat the Ag-Cu eutectic forms resulting in a braze joint. High heat produces a fusion weld with complete melting of the silver layer on the silicon solar cell. If the silicon is also melted, cracking occurs in the silicon cell below the weld nugget. These determinations were made using light microscopy, microprobe, and scanning electron microscopy analyses.

Moore, T. J.↗
DOE OSTI2021

The influence of variability in meridional over turning on global ocean circulation

The Atlantic Meridional Overturning circulation (AMOC) is an important global scale circulation and changes in AMOC can induce significant regional and global climate impacts. In this work, we study the stability of AMOC and its influence on global ocean circulation and the surface climate though analyzing a set of sensitivity experiments using the Community Climate System Model version 1 (CESM1). Results show that a collapsed AMOC can induce changes in global ocean circulation, such as reduced (or reversed) Bering Strait transport, weakened Indonesia throughflow and Agulhas current, but strengthened Drake Passage transport. It also changes the global wind pattern and surface temperature, such as a seesaw-like surface temperature change between Northern and Southern Hemispheres, a weakening of Indian-Australia summer monsoon, a southward shift of the Southern ocean westerlies, etc. We also found that AMOC and the Pacific deep meridional overturning circulation (or PMOC) do not form a natural seesaw under modern day climate and geography. A collapsed AMOC (active PMOC) is not stable under modern conditions if there is no additional freshwater (salt) input in the subpolar North Atlantic (Pacific), suggesting that the modern mean state of AMOC (PMOC) does not depend on local haline forcing although its variability and changes do.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Comparing computational times for simulations when using PBPK model template and stand-alone implementations of PBPK models

Introduction We previously developed a PBPK model template that consists of a single model “superstructure” with equations and logic found in many physiologically based pharmacokinetic (PBPK) models. Using the template, one can implement PBPK models with different combinations of structures and features. Methods To identify factors that influence computational time required for PBPK model simulations, we conducted timing experiments using various implementations of PBPK models for dichloromethane and chloroform, including template and stand-alone implementations, and simulating four different exposure scenarios. For each experiment, we measured the required computational time and evaluated the impacts of including various model features (e.g., number of output variables calculated) and incorporating various design choices (e.g., different methods for estimating blood concentrations). Results We observed that model implementations that treat body weight and dependent quantities as constant (fixed) parameters can result in a 30% time savings compared with options that treat body weight and dependent quantities as time-varying. We also observed that decreasing the number of state variables by 36% in our PBPK model template led to a decrease of 20–35% in computational time. Other factors, such as the number of output variables, the method for implementing conditional statements, and the method for estimating blood concentrations, did not have large impacts on simulation time. In general, simulations with PBPK model template implementations of models required more time than simulations with stand-alone implementations, but the flexibility and (human) time savings in preparing and reviewing a model implemented using the PBPK model template may justify the increases in computational time requirements. Conclusion Our findings concerning how PBPK model design and implementation decisions impact computational speed can benefit anyone seeking to develop, improve, or apply a PBPK model, with or without the PBPK model template.

Bernstein, Amanda S.↗
NASA NTRS1992

A first-order global model of Late Cenozoic climatic change: Orbital forcing as a pacemaker of the ice ages

The development of a theory of the evolution of the climate of the earth over millions of years can be subdivided into three fundamental, nested, problems: (1) to establish by equilibrium climate models (e.g., general circulation models) the diagnostic relations, valid at any time, between the fast-response climate variables (i.e., the 'weather statistics') and both the prescribed external radiative forcing and the prescribed distribution of the slow response variables (e.g., the ice sheets and shelves, the deep ocean state, and the atmospheric CO2 concentration); (2) to construct, by an essentially inductive process, a model of the time-dependent evolution of the slow-response climatic variables over time scales longer than the damping times of these variables but shorter than the time scale of tectonic changes in the boundary conditions (e.g., altered geography and elevation of the continents, slow outgassing, and weathering) and ultra-slow astronomical changes such as in the solar radiative output; and (3) to determine the nature of these ultra-slow processes and their effects on the evolution of the equilibrium state of the climatic system about which the above time-dependent variations occur. All three problems are discussed in the context of the theory of the Quaternary climate, which will be incomplete unless it is embedded in a more general theory for the fuller Cenozoic that can accommodate the onset of the ice-age fluctuations. We construct a simple mathematical model for the Late Cenozoic climatic changes based on the hypothesis that forced and free variations of the concentration of atmospheric greenhouse gases (notably CO2), coupled with changes in the deep ocean state and ice mass, under the additional 'pacemaking' influence of earth-orbital forcing, are primary determinants of the climate state over this period. Our goal is to illustrate how a single model governing both very long term variations and higher frequency oscillatory variations in the Pleistocene can be formulated with relatively few adjustable parameters.

Saltzman, Barry↗
DOE OSTI2021

Theoretical kinetics predictions for NH 2 + HO 2

Recent modeling studies of NH 3 oxidation, which are motivated by the prospective role of ammonia as a zero-carbon fuel, have indicated significant discrepancies between existing literature mechanisms. In this study high level theoretical kinetics predictions have been obtained for the reaction of NH 2 with HO 2 , which has previously been highlighted as an important reaction with high sensitivity and high uncertainty. The potential energy surface is explored with coupled cluster calculations including large basis sets and high-level corrections to yield high accuracy (~0.2 kcal/mol) estimates of the stationary point energies. Variational transition state theory is used to predict the microcanonical rate constants, which are then incorporated in master equation treatments of the temperature and pressure dependent kinetics. For the radical-radical channels, the microcanonical rates are obtained from variable reaction coordinate transition state theory implementing directly evaluated multireference electronic energies. The analysis yields predictions for the total rate constant as well as the branching to the NH 3 + O 2 , H 2 NO + OH, and HNO + H 2 O channels. Rate constants are also reported for the H 2 NO + OH reaction as they arise naturally from the analysis. The rate constant and branching fraction determined in this work for the NH 2 + HO 2 reaction deviate significantly from values used in most previous modeling studies. The fact that the main product channel is chain terminating, rather than propagating, has strong implications for modeling NH 3 ignition and oxidation, in particular at intermediate temperatures and elevated pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Quasi-Periodic Oscillations in Black Hole Candidates as an Indicator of Transition Between Low and High States

By comparing positions on a spectral color-color diagram from 10 black hole candidates (BHCS) observed with Ginga (1354-64, 1826-24, 1630-47, LMC X-1, LMC X-3, GS 2000+25, GS 2023+33, GS 1124-68, Cyg X-1, and GX 339-4) with the observed broad-band noise (0.001- 64 Hz; BBN) and quasi-periodic oscillation (QPO) variability, we find that the so-called "Very High State" is spectrally intermediate to the Soft/High-State and Hard/Low-State. We find a transition point in spectral hardness where the dependence of the BHC QPO centroid frequency (of GS 1124-68 and GX 339-4) on spectral hardness switches from a correlation to an anti-correlation; where the BBN variability switches from High-State to Low-State; and where the spectral hardness of the QPO relative to that of the BBN variability is a maximum. This coincidence of changing behavior in both the QPO and the broad-band variability leads us to hypothesize that the QPO is due to interaction between the physical components which dominate the behaviors of BHCs when they occupy the Hard/Low and Soft/High States. We conclude that these QPO should be observed from BHCs during transition between these two states. Comparison with QPO and BBN behavior observed during the 1996 transition of Cyg X-1 supports this hypothesis. We also report 1-3 Hz QPO observed in GS 2000+25 and Cyg X-1 in the Hard/Low State, and we compare these to the QPO observed in GS 1124-68 and GX 339-4.

Rutledge, Robert E↗
DOE OSTI2026

Synthesis of ARM User Facility Surface Rainfall Datasets to Construct a Best Estimate Value Added Product (PrecipBE)

Surface precipitation measurements are essential for Earth system model (ESM) evaluation and understanding cloud processes. An ever-growing need for robust, temporally evolving, and easy-to-use statistical datasets provides motivation for a baseline ground-based precipitation properties data product. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility operates an extensive suite of precipitation instruments with various sensitivities and operating mechanisms, which render the decision of which instrument to use based on one or more fixed thresholds challenging and prone to errors and bias. Using a long-term instrument inter-comparison from a unique per-precipitation event perspective, rather than instantaneous sample comparison, we demonstrate that ARM rainfall-measuring instruments are generally consistent with each other at the statistical level. Inter-instrument deviations at the single event level can be large, especially for specific rainfall event properties such as maximum precipitation rates. A machine-learning (ML) analysis using a random forest regressor indicates that in some cases, depending on instrument, local site climatology, and/or specific deployment configuration, certain atmospheric state variables influence the measured quantities in an unpredictable manner. Thus, a-priori weighting of different instruments does not necessarily lead to more accurate and less biased synthesis of instrument data. These results motivate the design of the ARM precipitation best-estimate (PrecipBE) value-added product, which incorporates all valid precipitation data while considering data quality and other instrument limitations. PrecipBE consists of time series and tabular statistics datasets in an easy-to-use and insightful per-precipitation event format. It provides a large set of precipitation event properties supplemented with ancillary data from ARM datasets that correspond to the detected precipitation events. We describe the PrecipBE algorithm and demonstrate its use via the examination of a single-day output as well as a long-term trend analysis of precipitation events at the ARM Southern Great Plains (SGP) site, covering more than 30 years of data. The trend analysis tentatively suggests a long-term temporal tendency for mainly shorter and less intense precipitation events at the SGP site, but a long-term increase in annual rainfall by more than 36 mm (5 %) per decade. This rainfall trend is catalyzed primarily by more extreme event properties of relatively rare, intense precipitation events, with event total and 1 min maximum precipitation rate at a 1 year timeframe increasing up to 5 mm and 9 mm h −1 (several percent) per decade, respectively. While the currently available PrecipBE datasets (at https://adc.arm.gov/discovery/, last access: 8 December 2025) cover rainfall from multiple ARM deployments up to March 2025, PrecipBE is planned to be expanded to include solid-phase precipitation and will soon become an operational product with a several-day lag from real-time. We invite the ARM user community to leverage this new product and welcome user feedback to further enhance the dataset.

Silber, Israel [Pacific Northwest National Laborat↗
NASA NTRS1987

Prediction and experimental observation of damage dependent damping in laminated composite beams

The equations of motion are developed for laminated composite beams with load-induced matrix cracking. The damage is accounted for by utilizing internal state variables. The net result of these variables on the field equations is the introduction of both enhanced damping, and degraded stiffness. Both quantities are history dependent and spatially variable, thus resulting in nonlinear equations of motion. It is explained briefly how these equations may be quasi-linearized for laminated polymeric composites under certain types of structural loading. The coupled heat conduction equation is developed, and it is shown that an enhanced Zener damping effect is produced by the introduction of microstructural damage. The resulting equations are utilized to demonstrate how damage dependent material properties may be obtained from dynamic experiments. Finaly, experimental results are compared to model predictions for several composite layups.

Allen, D. H.↗
NASA NTRS1992

A toy model linking atmospheric thermal radiation and sea ice growth

A simplified analytical model of sea ice growth is presented where the atmosphere is in thermal radiative equilibrium with the ice. This makes the downwelling longwave radiation reaching the ice surface an internal variable rather than a specified forcing. Analytical results demonstrate how the ice state depends on properties of the ice and on the externally specified climate.

Thorndike, A. S.↗