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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 1,279 records · Page 71

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NASA NTRS2016

Basin-Scale Assessment of the Land Surface Water Budget in the National Centers for Environmental Prediction Operational and Research NLDAS-2 Systems

The purpose of this study is to evaluate the components of the land surface water budget in the four land surface models (Noah, SAC-Sacramento Soil Moisture Accounting Model, (VIC) Variable Infiltration Capacity Model, and Mosaic) applied in the newly implemented National Centers for Environmental Prediction (NCEP) operational and research versions of the North American Land Data Assimilation System version 2 (NLDAS-2). This work focuses on monthly and annual components of the water budget over 12 National Weather Service (NWS) River Forecast Centers (RFCs). Monthly gridded FLUX Network (FLUXNET) evapotranspiration (ET) from the Max-Planck Institute (MPI) of Germany, U.S. Geological Survey (USGS) total runoff (Q), changes in total water storage (dS/dt, derived as a residual by utilizing MPI ET and USGS Q in the water balance equation), and Gravity Recovery and Climate Experiment (GRACE) observed total water storage anomaly (TWSA) and change (TWSC) are used as reference data sets. Compared to these ET and Q benchmarks, Mosaic and SAC (Noah and VIC) in the operational NLDAS-2 overestimate (underestimate) mean annual reference ET and underestimate (overestimate) mean annual reference Q. The multimodel ensemble mean (MME) is closer to the mean annual reference ET and Q. An anomaly correlation (AC) analysis shows good AC values for simulated monthly mean Q and dS/dt but significantly smaller AC values for simulated ET. Upgraded versions of the models utilized in the research side of NLDAS-2 yield largely improved performance in the simulation of these mean annual and monthly water component diagnostics. These results demonstrate that the three intertwined efforts of improving (1) the scientific understanding of parameterization of land surface processes, (2) the spatial and temporal extent of systematic validation of land surface processes, and (3) the engineering-oriented aspects such as parameter calibration and optimization are key to substantially improving product quality in various land data assimilation systems.

NLDAS-2↗

NASA NTRS1992

Computational simulation of coupled material degradation processes for probabilistic lifetime strength of aerospace materials

The research included ongoing development of methodology that provides probabilistic lifetime strength of aerospace materials via computational simulation. A probabilistic material strength degradation model, in the form of a randomized multifactor interaction equation, is postulated for strength degradation of structural components of aerospace propulsion systems subjected to a number of effects or primative variables. These primative variable may include high temperature, fatigue or creep. In most cases, strength is reduced as a result of the action of a variable. This multifactor interaction strength degradation equation has been randomized and is included in the computer program, PROMISS. Also included in the research is the development of methodology to calibrate the above described constitutive equation using actual experimental materials data together with linear regression of that data, thereby predicting values for the empirical material constraints for each effect or primative variable. This regression methodology is included in the computer program, PROMISC. Actual experimental materials data were obtained from the open literature for materials typically of interest to those studying aerospace propulsion system components. Material data for Inconel 718 was analyzed using the developed methodology.

Boyce, Lola↗

NASA NTRS1992

Computational simulation of probabilistic lifetime strength for aerospace materials subjected to high temperature, mechanical fatigue, creep, and thermal fatigue

The results of a fourth year effort of a research program conducted for NASA-LeRC by The University of Texas at San Antonio (UTSA) are presented. The research included on-going development of methodology that provides probabilistic lifetime strength of aerospace materials via computational simulation. A probabilistic material strength degradation model, in the form of a randomized multifactor interaction equation, is postulated for strength degradation of structural components of aerospace propulsion systems subjected to a number of effects or primitive variables. These primitive variables may include high temperature, fatigue, or creep. In most cases, strength is reduced as a result of the action of a variable. This multifactor interaction strength degradation equation was randomized and is included in the computer program, PROMISC. Also included in the research is the development of methodology to calibrate the above-described constitutive equation using actual experimental materials data together with regression analysis of that data, thereby predicting values for the empirical material constants for each effect or primitive variable. This regression methodology is included in the computer program, PROMISC. Actual experimental materials data were obtained from industry and the open literature for materials typically for applications in aerospace propulsion system components. Material data for Inconel 718 was analyzed using the developed methodology.

Boyce, Lola↗

NASA NTRS1993

Modeling crop responses to environmental change

Potential biophysical responses of crops to climate change are studied focusing on the primary environmental variables which define the limits to agricultural crop growth and production, and the principal methods for predicting climate change impacts on crop geography and production. It is concluded that the principal uncertainties in the prediction of the impacts of climate change on agriculture reside in the contribution of the direct effects of increasing CO2, in potential changes inclimate variability, and the effects of adjustments mechanisms in the context of climatic changes.

Rosenzweig, Cynthia↗

DOE OSTI2022

Understanding Predictability of Daily Southeast U.S. Precipitation Using Explainable Machine Learning

Abstract We investigate the predictability of the sign of daily southeastern U.S. (SEUS) precipitation anomalies associated with simultaneous predictors of large-scale climate variability using machine learning models. Models using index-based climate predictors and gridded fields of large-scale circulation as predictors are utilized. Logistic regression (LR) and fully connected neural networks using indices of climate phenomena as predictors produce neither accurate nor reliable predictions, indicating that the indices themselves are not good predictors. Using gridded fields as predictors, an LR and convolutional neural network (CNN) are more accurate than the index-based models. However, only the CNN can produce reliable predictions that can be used to identify forecasts of opportunity. Using explainable machine learning we identify which variables and grid points of the input fields are most relevant for confident and correct predictions in the CNN. Our results show that the local circulation is most important as represented by maximum relevance of 850-hPa geopotential heights and zonal winds to making skillful, high-probability predictions. Corresponding composite anomalies identify connections with El Niño–Southern Oscillation during winter and the Atlantic multidecadal oscillation and North Atlantic subtropical high during summer.

Pegion, Kathy↗

NASA NTRS2014

Predicting Ground Delay Program at an Airport Based on Meteorological Conditions

In this paper, we present two supervised-learning models, logistic regression and decision tree, to predict occurrence of ground delay program at an airport based on meteorological conditions and scheduled traffic demand. Such predictive capabilities can help the Federal Aviation Administration traffic managers and airline dispatchers to prepare mitigation strategies to reduce the impact of adverse weather. The models are applied to predict ground delay program occurrence at two major U.S. airports: Newark Liberty Intl. and San Francisco Intl. airports. The logistic regression model estimates the probability that a ground delay program will occur during a given hour. Decision tree, on the other hand, classifies an hour as a ground delay program or not based on the input variables. Results indicate that both models perform significantly better than a purely random prediction of ground delay program occurrence at the two airports. The logistic regression model performs better than the decision tree model. The degree to which various input variables impact the probability of ground delay program vary between the two airports. While the enroute convective weather is a dominant factor causing ground delay programs at New York airports, poor visibility and low cloud ceiling caused by marine stratus are major drivers of ground delay programs at San Francisco Intl. airport.

traffic flow management↗

DOE OSTI2022

Heuristic Computational Model for Predicting Lignin Solubility in Tailored Organic Solvents

Lignin is a random heteropolymer that has been extensively studied as a renewable source of aromatic precursors for high-value chemicals, biofuels, and bioplastics. A key challenge in lignin valorization is the structural and compositional heterogeneity of lignin feedstocks. Solvent-based approaches are commonly used to fractionate lignin to reduce this heterogeneity, but solvent selection can be challenging due to variability in lignin composition. In this work, we developed computational methods to predict good and poor organic solvents as a function of lignin composition. We analyzed 28 different linear pentamer structures, 18 from known libraries and 10 hypothetical polymers, and calculated their activity coefficients in 50 different organic solvents by using the conductor-like screening model for realistic solvents. We used these data to train a regression model that enabled the extensive investigation of the impact of solvent and monolignol compositions on predicted lignin solubility. The exhaustive exploration of solubility trends using model predictions revealed sets of solvents, identified using Kamlet–Taft parameters, that are predicted to promote lignin dissolution regardless of lignin composition. We further identified solvents expected to selectively isolate lignin fractions enriched in certain subunits. Furthermore, these results establish heuristic guidelines for solvent selection that can be used to tailor fractionation processes for lignin feedstocks of distinct composition or to design new processes that isolate fractions with higher proportions of selected subunits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Geometric and Material Variability Influences Stress States Relevant to Coastal Permafrost Bluff Failure

Scientific knowledge and engineering tools for predicting coastal erosion are largely confined to temperate climate zones that are dominated by non-cohesive sediments. The pattern of erosion exhibited by the ice-bonded permafrost bluffs in Arctic Alaska, however, is not well-explained by these tools. Investigation of the oceanographic, thermal, and mechanical processes that are relevant to permafrost bluff failure along Arctic coastlines is needed. We conducted physics-based numerical simulations of mechanical response that focus on the impact of geometric and material variability on permafrost bluff stress states for a coastal setting in Arctic Alaska that is prone to toppling mode block failure. Our three-dimensional geomechanical boundary-value problems output static realizations of compressive and tensile stresses. We use these results to quantify variability in the loci of potential instability. We observe that niche dimension affects the location and magnitude of the simulated maximum tensile stress more strongly than the bluff height, ice wedge polygon size, ice wedge geometry, bulk density, Young's Modulus, and Poisson's Ratio. Our simulations indicate that variations in niche dimension can produce radically different potential failure areas and that even relatively shallow vertical cracks can concentrate displacement within ice-bonded permafrost bluffs. These findings suggest that stability assessment approaches, for which the geometry of the failure plane is delineated a priori, may not be ideal for coastlines similar to our study area and could hamper predictions of erosion rates and nearshore sediment/biogeochemical loading.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Identification of Critical Material Attributes in Lignin Streams Based on Pseudomonas putida Performance

Variability in chemical composition of corn stover feedstocks has been suggested to play a role in biocatalyst performance during the conversion of lignocellulosic biomass to value-added compounds. In previous studies, we investigated the performance of Pseudomonas putida CJ781 - an engineered bacterium that converts aromatic compounds to muconate - on various lignin streams produced from the deacetylation of corn stover, and we found significant differences on muconate production. To better understand the origin of these differences, we down selected twenty-two compounds from literature - that had previously been detected as extractives in lignin streams - and we analyzed their concentrations in 12 lignin streams generated from different feedstocks. P. putida CJ781 was then cultivated in mock lignin streams supplemented with various concentrations of these compounds. Bacterial growth was tracked in microtiter plates and the performance was measured by comparing maximum growth rates among conditions. At maximum concentrations that may be found in lignin streams, sodium was the material attribute that limited growth rate in a greater extent, with a reduction in growth rate by 8 to 37%, depending on the counter ion, with sodium nitrate being the most inhibitory, followed by sodium acetate, sodium chloride, and sodium sulfate. Ammonium acetate was also found to be inhibitory at average concentrations of ammonium in lignin streams, reducing maximum growth rate by 18%. Overall, the data from this study has allowed to down select critical material attributes in lignin streams and process parameters that significantly affect the performance of P. putida and will be used as input to predictive models that aim to reduce risks attributed to feedstock variability in lignocellulosic biorefineries.

biocatalyst↗

NASA NTRSDate not supplied

Design Exploration of a Transonic Cruise Slotted Airfoil

A knowledge-based aerodynamic design method, CDISC, has been leveraged for the computational design exploration of the cruise slotted airfoil as a drag-saving technology for single aisle, transonic transport aircraft. Aerodynamic predictions were generated using the NASA USM3D Reynolds-averaged Navier-Stokes flow solver, and laminar flow assessments were conducted using the NASA BLSTA3D boundary layer profile solver paired with the LASTRAC stability analysis and transition prediction software. The CDISC design method was used to parametrically vary several slotted-airfoil design variables to understand their impact on aerodynamic performance. In addition to establishing best practices for slotted airfoil design, it was observed that the historically noted skin-friction penalty for cruise slotted airfoils was attributed to the low-Reynolds-number boundary layer of the flap. At cruise, this skin-friction penalty negated any potential decrease in pressure drag enabled by the cruise slotted airfoil architecture. This observation led to the development of an Aft-Laminar Multi-element Airfoil concept that uses airfoil shaping to promote natural laminar flow on the flap. At cruise conditions, the concept is predicted to offer a 2.7% reduction in sectional drag relative to a fully turbulent supercritical airfoil. Off-design analyses showed that laminar flow could be maintained with near-cruise variations in angle of attack and Mach number, resulting in sustained aerodynamic efficiency improvements and a delay in the drag rise Mach number. A low-speed, high-lift analysis at takeoff conditions predicted a maximum lift coefficient of 2.4 could be achieved by use of a variable-camber leading edge on the main element and simple deflection of the flap. These computationally-predicted benefits have motivated future research toward an aft-laminar cruise slotted wing design as an incremental step toward the application of natural laminar flow technology on transonic commercial transports.

Brett R Hiller↗

NASA NTRS1992

Computational simulation of probabilistic lifetime strength for aerospace materials subjected to high temperature, mechanical fatigue, creep and thermal fatigue

This report presents the results of a fourth year effort of a research program, conducted for NASA-LeRC by the University of Texas at San Antonio (UTSA). The research included on-going development of methodology that provides probabilistic lifetime strength of aerospace materials via computational simulation. A probabilistic material strength degradation model, in the form of a randomized multifactor interaction equation, is postulated for strength degradation of structural components of aerospace propulsion systems subject to a number of effects or primitive variables. These primitive variables may include high temperature, fatigue or creep. In most cases, strength is reduced as a result of the action of a variable. This multifactor interaction strength degradation equation has been randomized and is included in the computer program, PROMISS. Also included in the research is the development of methodology to calibrate the above-described constitutive equation using actual experimental materials data together with regression analysis of that data, thereby predicting values for the empirical material constants for each effect or primitive variable. This regression methodology is included in the computer program, PROMISC. Actual experimental materials data were obtained from industry and the open literature for materials typically for applications in aerospace propulsion system components. Material data for Inconel 718 has been analyzed using the developed methodology.

Boyce, Lola↗

NASA NTRS2007

Accounting for Uncertainties in Strengths of SiC MEMS Parts

A methodology has been devised for accounting for uncertainties in the strengths of silicon carbide structural components of microelectromechanical systems (MEMS). The methodology enables prediction of the probabilistic strengths of complexly shaped MEMS parts using data from tests of simple specimens. This methodology is intended to serve as a part of a rational basis for designing SiC MEMS, supplementing methodologies that have been borrowed from the art of designing macroscopic brittle material structures. The need for this or a similar methodology arises as a consequence of the fundamental nature of MEMS and the brittle silicon-based materials of which they are typically fabricated. When tested to fracture, MEMS and structural components thereof show wide part-to-part scatter in strength. The methodology involves the use of the Ceramics Analysis and Reliability Evaluation of Structures Life (CARES/Life) software in conjunction with the ANSYS Probabilistic Design System (PDS) software to simulate or predict the strength responses of brittle material components while simultaneously accounting for the effects of variability of geometrical features on the strength responses. As such, the methodology involves the use of an extended version of the ANSYS/CARES/PDS software system described in Probabilistic Prediction of Lifetimes of Ceramic Parts (LEW-17682-1/4-1), Software Tech Briefs supplement to NASA Tech Briefs, Vol. 30, No. 9 (September 2006), page 10. The ANSYS PDS software enables the ANSYS finite-element-analysis program to account for uncertainty in the design-and analysis process. The ANSYS PDS software accounts for uncertainty in material properties, dimensions, and loading by assigning probabilistic distributions to user-specified model parameters and performing simulations using various sampling techniques.

Nemeth, Noel↗

NASA NTRS1989

Noise produced by turbulent flow into a rotor: Users manual for atmospheric turbulence prediction and mean flow and turbulence contraction prediction

A users manual for a computer program for predicting atmospheric turbulence and mean flow and turbulence contraction as part of a noise prediction scheme for nonisotropic turbulence ingestion noise in helicopters is described. Included are descriptions of the various program modules and subroutines, their function, programming structure, and the required input and output variables. This routine is incorporated as one module of NASA's ROTONET helicopter noise prediction program.

Simonich, J. C.↗

DOE OSTI2023

How Accurate Can Crystal Structure Predictions Be for High-Energy Molecular Crystals?

Molecular crystals have shallow potential energy landscapes, with multiple local minima separated by very small differences in total energy. Predicting molecular packing and molecular conformation in the crystal generally requires ab initio methods of high accuracy, especially when polymorphs are involved. We used dispersion-corrected density functional theory (DFT-D) to assess the capabilities of an evolutionary algorithm (EA) for the crystal structure prediction (CSP) of well-known but challenging high-energy molecular crystals (HMX, RDX, CL-20, and FOX-7). While providing the EA with the experimental conformation of the molecule quickly re-discovers the experimental packing, it is more realistic to start instead from a naïve, flat, or neutral initial conformation, which reflects the limited experimental knowledge we generally have in the computational design of molecular crystals. By doing so, and using fully flexible molecules in fully variable unit cells, we show that the experimental structures can be predicted in fewer than 20 generations. Nonetheless, one must be aware that some molecular crystals have naturally hindered evolutions, requiring as many attempts as there are space groups of interest to predict their structures, and some may require the accuracy of all-electron calculations to discriminate between closely ranked structures. To save resources in this computationally demanding process, we showed that a hybrid xTB/DFT-D approach could be considered in a subsequent study to push the limits of CSP beyond 200+ atoms and for cocrystals.

42 ENGINEERING↗

NASA NTRS1973

An investigation to improve the Menhaden fishery prediction and detection model through the application of ERTS-A data

The author has identified the following significant results. Linear regression of secchi disc visibility against number of sets yielded significant results in a number of instances. The variability seen in the slope of the regression lines is due to the nonuniformity of sample size. The longer the period sampled, the larger the total number of attempts. Further, there is no reason to expect either the influence of transparency or of other variables to remain constant throughout the season. However, the fact that the data for the entire season, variable as it is, was significant at the 5% level, suggests its potential utility for predictive modeling. Thus, this regression equation will be considered representative and will be utilized for the first numerical model. Secchi disc visibility was also regressed against number of sets for the three day period September 27-September 29, 1972 to determine if surface truth data supported the intense relationship between ERTS-1 identified turbidity and fishing effort previously discussed. A very negative correlation was found. These relationship lend additional credence to the hypothesis that ERTS imagery, when utilized as a source of visibility (turbidity) data, may be useful as a predictive tool.

Maughan, P. M.↗

NASA NTRS1991

Implementation of wall boundary conditions for transpiration in F3D thin-layer Navier-Stokes code

Numerical boundary conditions for mass injection/suction at the wall are incorporated in the thin-layer Navier-Stokes code, F3D. The accuracy of the boundary conditions and the code is assessed by a detailed comparison of the predictions of velocity distributions and skin-friction coefficients with exact similarity solutions for laminar flow over a flat plate with variable blowing/suction, and measurements for turbulent flow past a flat plate with uniform blowing. In laminar flow, F3D predictions for friction coefficient compare well with exact similarity solution with and without suction, but produces large errors at moderate-to-large values of blowing. A slight Mach number dependence of skin-friction coefficient due to blowing in turbulent flow is computed by F3D code. Predicted surface pressures for turbulent flow past an airfoil with mass injection are in qualitative agreement with measurements for a flat plate.

Kandula, M.↗

DOE OSTI2023

Bioaerosols are the dominant source of warm-temperature immersion-mode INPs and drive uncertainties in INP predictability

Ice-nucleating particles (INPs) are rare atmospheric aerosols that initiate primary ice formation, but accurately simulating their concentrations and variability in large-scale climate models remains a challenge. Doing so requires both simulating major particle sources and parameterizing their ice nucleation (IN) efficiency. Validating and improving model predictions of INP concentrations requires measuring their concentrations delineated by particle type. We present a method to speciate INP concentrations into contributions from dust, sea spray aerosol (SSA), and bioaerosol. Field campaign data from Bodega Bay, California, showed that bioaerosols were the primary source of INPs between –12° and –20°C, while dust was a minor source and SSA had little impact. We found that recent parameterizations for dust and SSA accurately predicted ambient INP concentrations. However, the model did not skillfully simulate bioaerosol INPs, suggesting a need for further research to identify major factors controlling their emissions and INP efficiency for improved representation in models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Evaluation of Leading Modes of Climate Variability in the CMIP Archives

The adequate simulation of internal climate variability is key for our understanding of climate as it underpins efforts to attribute historical events, predict on seasonal and decadal time scales, and isolate the effects of climate change. Here the skill of models in reproducing observed modes of climate variability is assessed, both across and within the CMIP3, CMIP5, and CMIP6 archives, in order to document model capabilities, progress across ensembles, and persisting biases. A focus is given to the well-observed tropical and extratropical modes that exhibit small intrinsic variability relative to model structural uncertainty. These include El Niño–Southern Oscillation (ENSO), the Pacific decadal oscillation (PDO), the North Atlantic Oscillation (NAO), and the northern and southern annular modes (NAM and SAM). Significant improvements are identified in models’ representation of many modes. Canonical biases, which involve both amplitudes and patterns, are generally reduced across model generations. For example, biases in ENSO-related equatorial Pacific sea surface temperature, which extend too far westward, and associated atmospheric teleconnections, which are too weak, are reduced. Stronger tropical expression of the PDO in successive CMIP generations has characterized their improvement, with some CMIP6 models generating patterns that lie within the range of observed estimates. For the NAO, NAM, and SAM, pattern correlations with observations are generally higher than for other modes and slight improvements are identified across successive model generations. Finally, for ENSO and PDO spectra and extratropical modes, changes are small compared to internal variability, precluding definitive statements regarding improvement.

54 ENVIRONMENTAL SCIENCES↗