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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

The Frequency Detuning Correction and the Asymmetry of Line Shapes: The Far Wings of H2O-H2O

A far-wing line shape theory which satisfies the detailed balance principle is applied to the H2O-H2O system. Within this formalism, two line shapes are introduced, corresponding to band-averages over the positive and negative resonance lines, respectively. Using the coordinate representation, the two line shapes can be obtained by evaluating 11-dimensional integrations whose integrands are a product of two factors. One depends on the interaction between the two molecules and is easy to evaluate. The other contains the density matrix of the system and is expressed as a product of two 3-dimensional distributions associated with the density matrices of the absorber and the perturber molecule, respectively. If most of the populated states are included in the averaging process, to obtain these distributions requires extensive computer CPU time, but only have to be computed once for a given temperature. The 11-dimensional integrations are evaluated using the Monte Carlo method, and in order to reduce the variance, the integration variables are chosen such that the sensitivity of the integrands on them is clearly distinguished.

Ma, Q.↗
NASA NTRS2016

A Computationally-Efficient, Multi-Mechanism Based Framework for the Comprehensive Modeling of the Evolutionary Behavior of Shape Memory Alloys

The report summarizes the accomplishments made during the 4-year duration of the project. Here, the major emphasis is placed on the different tasks performed by the two research teams; i.e., the modeling activities by the University of Akron (UA) team and the experimental and neutron diffraction studies conducted by the University of Central Florida (UCF) team, during this 4-year period. Further technical details are given in the upcoming sections by UA and UCF for each of the milestones/years (together with the corresponding figures and captions).The project majorly involved the development, validation, and application of a general theoretical model that is capable of capturing the nonlinear hysteretic responses, including pseudoelasticity, shape memory effect, rate-dependency, multi-axiality, asymmetry in tension versus compression response of shape memory alloys. Among the targeted goals for the SMA model was its ability to account for the evolutionary character response (including transient and long term behavior under sustained cycles) for both conventional and high temperature (HT) SMAs, as well as being able to simulate some of the devices which exploit these unique material systems. This required extensive (uniaxial and multi-axial) experiments needed to guide us in calibrating and characterizing the model. Moreover, since the model is formulated on the theoretical notion of internal state variables (ISVs), neutron diffraction experiments were needed to establish the linkage between the micromechanical changes and these ISVs. In addition, the design of the model should allow easy implementation in large scale finite element application to study the behavior of devices making use of these SMA materials under different loading controls. Summary of the activities, progress/achievements made during this period is given below in details for the University of Akron and the University (Section 2.0) of Central Florida (Section 3.0).

Alloys↗
DOE OSTI2026

Absorption dissymmetry factor enhancement: A data-driven approach to unravel the synthesis knobs of chiral 2D perovskites

Chiral 2D metal halide perovskites (MHPs) are promising for spin-optoelectronic applications, yet their absorption dissymmetry factor (g abs ) exhibits significant variability due to complex, co-dependent structural and experimental factors. Here, we established a data-driven framework using Pearson’s correlation, ANOVA, and Gaussian process regression to identify and model key synthesis “knobs” governing these properties. The analysis revealed that solvent choice is the primary factor driving variability. For acetonitrile-based films, g abs was maximized by optimizing annealing temperature and film thickness. Conversely, films from higher boiling point solvents showed complex dependencies on annealing temperature, excitonic integral intensity, and film texture. These statistical correlations provide a roadmap for the rational design of high-performance chiral MHPs and establish a foundation for future machine learning-driven material exploration.

ANOVA↗
DOE OSTI2025

Can Restoring Tidal Wetlands Reduce Estuarine Nuisance Flooding of Coasts Under Future Sea‐Level Rise?

Wetland restoration is an increasingly popular nature‐based method for flood risk mitigation in coastal communities. In this study, we present a novel method using hydrodynamic modeling and harmonic analysis to quantify wetlands' ability to reduce future nuisance flooding. The method leverages a hydrodynamic model calibrated to present day data and was run for a range of future sea‐level rise (SLR) and wetland restoration scenarios to quantify changes to tidal harmonic amplitudes and phases. The harmonic constituents are used to generate water surface elevations over a time period of interest (e.g., one year) and compared to critical exceedance thresholds such as levee elevations. Then, changes to nuisance flooding are calculated by counting the number of hours critical thresholds are exceeded under different SLR and wetland restoration scenarios. We applied the method to Coos Bay, Oregon, USA as a test case. We found restoration reduces the number of hours nuisance flooding occurs in downtown Coos Bay from 15 hr (present day conditions) to 0 hr (fully restored condition) under median SLR (82 cm by 2100). Restoration had spatially variable impacts on reducing peak flood elevations with minimal impacts near the estuary mouth and greatest impact 32 km inland. The effectiveness of restoration was heavily dependent on future SLR. Restoration was maximally effective in 2050 under all SLR scenarios, less effective in 2100 under median SLR, and not effective under high SLR. Modeling results suggest increased tidal prism and accommodation space are driving restoration‐associated reductions in tidal amplitudes.

Brand, Matthew W. [Louisiana State Univ., Baton Ro↗
DOE OSTI2025

A generalizable machine learning-assisted fast Fourier transform algorithm to simulate the large strain phenomena in polycrystalline materials

Machine learning methods have shown initial promise in constitutive modeling for single crystals or homogenized polycrystals, delivering notable computational efficiency. However, existing machine learning-based constitutive models often lack generalizability, limiting their application across diverse boundary value problems. This study introduces a thermodynamics-informed artificial neural network model to accelerate rate-tangent crystal plasticity fast Fourier transform simulations for cross-scale deformation behaviors of polycrystals under complex loading. Our model integrates microstructural variability and local interactions effectively. To address local effects in each grain, we employ K-means clustering to group Gauss points within the microstructure into clusters assumed to be in similar mechanical states. This approach, based on self-clustering analysis, extends model scope from macroscopic stress response to the granular level, capturing mechanical responses and orientation evolution across grains. This reduces the number of nonlinear problems to solve, with cluster responses propagated throughout each group. The thermodynamics-based artificial neural network-extracted features are further processed using local material state clusters to account for history-dependent deformation and evolving microstructures. Additionally, representative volume element simulations with rate-tangent crystal plasticity fast Fourier transform provide reliable datasets for model training. The proposed model demonstrates high efficiency, accuracy, self-consistency, and enhanced generalizability in predicting strain–stress responses and orientation evolution at both individual grain and aggregate scales under complex loading conditions, such as biaxial tension and arbitrary loading scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Incorporating Social Vulnerability Variables in Measures to Quantify Access to Opportunities

Herein this study quantifies access to travel opportunities to understand what societal factors are linked with local access and to identify communities with reduced access. We introduce a method to compare accessibility across all census tracts in the United States that can be used across geographically diverse communities ranging from sparsely to densely populated areas. This study considers six key opportunities which we consider essential for all communities (grocery stores, public schools, daycares, primary care doctors, pharmacies, and parks), and six additional destinations which can be viewed as a social safety net (homeless shelters, women’s shelters, food pantries, libraries, vocational schools, and banks). We quantify accessibility to these opportunities within a 15 min walk, transit trip, bicycle ride, and automobile drive for every census tract in the United States, and observe a decrease in vehicle miles traveled and vehicle ownership in tracts with increased walkability. Through analysis at the census tract level, this study incorporates variables of social vulnerability with these cumulative opportunity metrics to better understand diminished accessibility as attributed to social and racial inequities. As example findings, we find decreased access to financial services in communities with high minority and limited English speaking populations, no apparent change in access for childcare in communities with high percentages of single-parent families, and potentially increased or decreased access to women’s healthcare resources for Black women depending on the travel mode.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1979

Evaluation of the navigation performance of shipboard-VTOL-landing guidance systems

The objective of this study was to explore the performance of a VTOL aircraft landing approach navigation system that receives data (1) from either a microwave scanning beam (MSB) or a radar-transponder (R-T) landing guidance system, and (2) information data-linked from an aviation facility ship. State-of-the-art low-cost-aided inertial techniques and variable gain filters were used in the assumed navigation system. Compensation for ship motion was accomplished by a landing pad deviation vector concept that is a measure of the landing pad's deviation from its calm sea location. The results show that the landing guidance concepts were successful in meeting all of the current Navy navigation error specifications, provided that vector magnitude of the allowable error, rather than the error in each axis, is a permissible interpretation of acceptable performance. The success of these concepts, however, is strongly dependent on the distance measuring equipment bias. In addition, the 'best possible' closed-loop tracking performance achievable with the assumed point-mass VTOL aircraft guidance concept is demonstrated.

Mcgee, L. A.↗
NASA NTRS1991

Pressure-coupled vaporization and combustion responses of liquid-fuel droplets in high-pressure environments

The dynamic responses of liquid-fuel droplet vaporization and combustion to ambient pressure oscillations are examined. The analysis is based on the complete sets of conservation equations for both gas and liquid phases, and accommodates detailed treatments of finite-rate chemical kinetics and variable properties. With a full account of thermodynamic phase equilibrium at the droplet surface, the model enables a systematic examination of the effects of ambient flow conditions on the droplet behavior. The responses of hydrocarbon fuel droplets in both sub- and super-critical environments are investigated. Results indicate that the droplet gasification and burning mechanisms depend greatly on the ambient pressure. In particular, a rapid enlargement of the vaporization and combustion responses occurs when the droplet surface reaches its critical point, mainly due to the strong variations of latent heat of vaporization and thermophysical properties at the critical state.

Yang, Vigor↗
DOE OSTI2026

Forced Component Estimation Statistical Method Intercomparison Project (ForceSMIP)

Anthropogenic climate change is unfolding rapidly, yet its regional manifestation can be obscured by internal variability. A primary goal of climate science is to identify the externally forced climate response from among the noise of internal variability. Separating the forced response from internal variability can be addressed in climate models by using a large ensemble to average over different possible realizations of internal variability. However, with only one realization of the real world, it is a major challenge to isolate the forced response directly in observations. In the Forced Component Estimation Statistical Method Intercomparison Project (ForceSMIP), contributors used existing and newly developed statistical and machine learning methods to estimate the forced response over 1950–2022 within individual realizations of the climate system. Participants used neural networks, linear inverse models, fingerprinting methods, and low-frequency component analysis, among other approaches. These methods were trained using large ensembles from multiple climate models and then applied to observations. Here, we evaluate method performance within large ensembles and investigate the estimates of the forced response in observations. Our results show that many different types of methods are skillful for estimating the forced response in climate models, though the relative skill of individual methods varies depending on the variable and evaluation metric. Methods with comparable skill in models can give a wide range of estimates of the forced response pattern in observations, illustrating the epistemic uncertainty in forced response estimates. ForceSMIP gives new insights into the forced response in observations, its uncertainty, and methods for its estimation.

Climate attribution↗
NASA NTRS1992

Viscoplastic analysis of an experimental cylindrical thrust chamber liner

A viscoplastic stress-strain analysis of an experimental cylindrical thrust chamber is presented. A viscoelastic constitutive model incorporating a single internal state variable that represents kinematic hardening was employed to investigate whether such a viscoplastic model could predict the experimentally observed behavior of the thrust chamber. Two types of loading cycles were considered: a short cycle of 3.5-s duration that corresponded to the experiments, and an extended loading cycle of 485.1 s duration that is typical of the Space Shuttle Main Engine (SSME) operating cycle. The analysis qualitatively replicated the deformation behavior of the component as observed in experiments designed to simulate SSME operating conditions. The analysis also showed that the mode and location of failure in the component may depend on the loading cycle. The results indicate that using viscoplastic models for structural analysis can lead to a more realistic life assessment of thrust chambers.

Arya, Vinod K.↗
DOE OSTI2021

Optimal energy storage portfolio for high and ultrahigh carbon-free and renewable power systems

Achieving 100% carbon-free or renewable power systems can be facilitated by the deployment of energy storage technologies at all timescales, including short-duration, long-duration, and seasonal scales; however, most current literature focuses on cost assessments of energy storage for a given timescale or type of technology. In this work, we use an optimization framework with high spatial and temporal resolution to simultaneously assess the variable renewable power deployment and the optimal storage portfolio for seven independent system operators in the United States. Results indicate that achieving high (75–90%) and ultrahigh (>90%) energy mixes requires combining several flexibility options, including renewable curtailment, short-duration, long-duration, and seasonal storage. For instance, carbon-free and renewable energy mix targets of up to 80% are achieved with economic curtailment and a combination of short- and long-duration energy storage for the performance and cost assumptions used. After that, there is a point between 80% and 95% where seasonal storage becomes cost-competitive, depending on the specific power system. Moreover, our results indicate that storage-to-storage operation—one storage device used to charge another storage device—and the decoupling of charging and discharging storage power capacity are cost-effective options for the integration of high and ultrahigh shares of carbon-free or renewable power sources. Additionally, the results from this study show that an 85% carbon-free or renewable energy mix can be achieved at a cost of avoided CO 2 emissions of US$66.0 per tonne or less, regardless of the power system.

25 ENERGY STORAGE↗
DOE OSTI2024

Modeling Oxygen Partial Pressure in Solid Oxide Electrolysis Cells: The Microstructure Effect

Oxygen partial pressure is an important thermodynamic state variable that affects both the performance and degradation of solid oxide electrolysis cells. In this work, a 3D model developed from Virkar’s 1D model has been applied to reconstructed and synthetic microstructures of Ni-YSZ-GDC-LSCF cell. The effect of the microstructures, including the thickness of the YSZ and GDC layer, and the compositions of the hydrogen and oxygen electrode, on the distribution of oxygen partial pressure has been investigated. The results show that the maximum oxygen partial pressure may occur on the interface between oxygen electrode and GDC layer or between GDC layer and YSZ layer depending on the rate of oxygen ion exchange between GDC and YSZ. A thicker GDC layer lowers the maximum oxygen partial pressure in the cell, while a thicker YSZ layer lowers the maximum oxygen partial pressure in the hydrogen electrode. In addition, the Ni:YSZ ratio and porosity also affects the maximum partial pressure. These findings provide insights on mitigating degradation in solid oxide electrolysis cell by tuning the microstructures.

Lei, Yinkai↗
NASA NTRS1996

Application of Probabilistic Methods for the Determination of an Economically Robust HSCT Configuration

This paper outlines an approach for the determination of economically viable robust design solutions using the High Speed Civil Transport (HSCT) as a case study. Furthermore, the paper states the advantages of a probability based aircraft design over the traditional point design approach. It also proposes a new methodology called Robust Design Simulation (RDS) which treats customer satisfaction as the ultimate design objective. RDS is based on a probabilistic approach to aerospace systems design, which views the chosen objective as a distribution function introduced by so called noise or uncertainty variables. Since the designer has no control over these variables, a variability distribution is defined for each one of them. The cumulative effect of all these distributions causes the overall variability of the objective function. For cases where the selected objective function depends heavily on these noise variables, it may be desirable to obtain a design solution that minimizes this dependence. The paper outlines a step by step approach on how to achieve such a solution for the HSCT case study and introduces an evaluation criterion which guarantees the highest customer satisfaction. This customer satisfaction is expressed by the probability of achieving objective function values less than a desired target value.

Mavris, Dimitri N.↗
NASA NTRS1999

The Influence of Airmass Histories on Radical Species during POLARIS

The Goddard trajectory chemistry model was used with ER-2 aircraft data to test our current knowledge of radical photochemistry during the POLARIS (Polar Ozone Loss in the Arctic Region In Summer) campaign. The results of the trajectory chemistry model with and without trajectories are used to identify cases where steady state does not accurately describe the measurements. Over the entire mission, using trajectory chemistry reduces the variability in the modeled NO(x) comparisons to data by 25% with respect to the same model simulating steady state. Although the variability is reduced, NO(x)/NO(y) trajectory model results were found to be systematically low relative to the observations by 20-30% as seen in previous studies. Using new rate constants for reactions important in NO(y) partitioning improves the agreement of NO(x)/NO(y) with the observations but a 5-10% bias still exists. OH and HO2 individually are underpredicted by 15% of the standard steady state model and worsen with the new rate constants. Trajectory chemistry model results of OH/HO2 were systematically low by 10-20% but improve using the new rates constants because of the explicit dependence on NO. This suggests that our understanding of NO(x) is accurate to the 20% level and HO(x) chemistry is accurate to the 30% level in the lower stratosphere or better for the POLARIS regime. The behavior of the NO(x) and HO(x) comparisons to data using steady state versus trajectory chemistry and with updated rate coefficients is discussed in ten-ns of known chemical mechanisms and lifetimes.

Pierson, J. M.↗
NASA NTRS1997

A Categorization of Dynamic Analyzers

Program analysis techniques and tools are essential to the development process because of the support they provide in detecting errors and deficiencies at different phases of development. The types of information rendered through analysis includes the following: statistical measurements of code, type checks, dataflow analysis, consistency checks, test data,verification of code, and debugging information. Analyzers can be broken into two major categories: dynamic and static. Static analyzers examine programs with respect to syntax errors and structural properties., This includes gathering statistical information on program content, such as the number of lines of executable code, source lines. and cyclomatic complexity. In addition, static analyzers provide the ability to check for the consistency of programs with respect to variables. Dynamic analyzers in contrast are dependent on input and the execution of a program providing the ability to find errors that cannot be detected through the use of static analysis alone. Dynamic analysis provides information on the behavior of a program rather than on the syntax. Both types of analysis detect errors in a program, but dynamic analyzers accomplish this through run-time behavior. This paper focuses on the following broad classification of dynamic analyzers: 1) Metrics; 2) Models; and 3) Monitors. Metrics are those analyzers that provide measurement. The next category, models, captures those analyzers that present the state of the program to the user at specified points in time. The last category, monitors, checks specified code based on some criteria. The paper discusses each classification and the techniques that are included under them. In addition, the role of each technique in the software life cycle is discussed. Familiarization with the tools that measure, model and monitor programs provides a framework for understanding the program's dynamic behavior from different, perspectives through analysis of the input/output data.

Lujan, Michelle R.↗
NASA NTRS2020

Sources, frequency, and chemical nature of dust events impacting the United States East Coast

This study examines 14 years (2004–2017) of surface aerosol composition data from the EPA IMPROVE network with a focus on the monthly profile, sources, and chemical nature of extreme dust events (>92nd percentile of fine soil concentration each month) impacting ten sites along the United States East Coast ranging in latitude from Florida to Maine. Based on trajectory, remote sensing, and reanalysis data, dust events were categorized into four source categories: African, Asian, Mix (African + Asian), and Other (anything other than African and Asian). The results reveal that extreme dust events account for between 3.3% and 4.6% of total available days depending on the site. March-April-May (MAM) had the most (174) dust events, followed by June-July-August (JJA) with 172, and then by September-October-November (SON) with 160 and December-January-February (DFJ) with 150. There is a variability in the predominant dust sources based on latitude, with African and Other sources more influential from North Carolina to the south, while Asian and Other were most important from New Jersey to the north. The Mix category is consistently the least frequent dust category at all sites. The African dust category was linked to the highest fine soil levels across the entire East Coast relative to other sources regardless of location. JJA is mostly impacted by African dust for sites ranging from Florida to New Jersey, while MAM is dominated by Asian dust for all sites. Mix events occurred mostly between April and October and Other events were most common outside of MAM and JJA seasons. Seven out of ten sites had Other as the most dominant source. Aerosol constituents organic carbon (OC) and elemental carbon (EC) had higher average concentrations in Other events (2.39 ± 0.78 μg m -3 and 0.79 ± 0.81 μg m -3 , respectively) as compared to the other three source categories, suggestive of regional anthropogenic emissions. Moreover, the ratios of elements (Si:Al, K:Fe, Fe:Ca, Al:Ca) contributing to fine soil and PM 2.5 :PM 10 exhibited distinct values depending on the dust source category and the site. This study builds on the growing evidence of the importance of long-range transport of dust in impacting distant regions and how a variety of sources can impact the U.S. East Coast at all times of the year.

Abdulmonam M. Aldhaif↗
DOE OSTI2020

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗
NASA NTRS1978

On the coupled nature of atmospheric phenomena

The interactions that take place in the stratosphere and the troposphere which are important to the maintenance of the chemical, dynamic, and thermal state and of the middle atmosphere, and which may be important in the determination of the state of the lower atmosphere are reviewed. Examples of these interactions due to either natural or anthropogenic processes are discussed, and promising areas for future research are indicated. Specific topics include: (1) coupling between temperature and chemistry via temperature dependent rate constants; (2) the effect of latitudinal temperature variations on zonal winds; (3) the effect of clouds, surface albedo, and the lower atmosphere on stratospheric chemistry due to the scattering and reflection of solar radiation; (4) the effect of trace constituents on thermal structure and thermal balance; (5) the effect of the stratosphere on tropospheric climate; (6) the effect of solar UV variability on stratospheric chemistry and temperature; and (7) the effect of trace constituents on stratospheric dynamics.

Callis, L. B.↗