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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Materials, Manufacturing and Test Development of a Composite Fan Blade Leading Edge Subcomponent for Improved Impact Resistance

Application of polymer matrix composite materials for jet engine fan blades is becoming attractive as an alternative to metallic blades; particularly for large engines where significant weight savings are recognized on moving to a composite structure. However, the weight benefit of the composite of is offset by a reduction of aerodynamic efficiency resulting from a necessary increase in blade thickness; relative to the titanium blades. Blade dimensions are largely driven by resistance to damage on bird strike. Further development of the composite material is necessary to allow composite blade designs to approximate the dimensions of a metallic fan blade. The reduction in thickness over the state of the art composite blades is expected to translate into structural weight reduction, improved aerodynamic efficiency, and therefore reduced fuel consumption. This paper presents test article design, subcomponent blade leading edge fabrication, test method development, and initial results from ballistic impact of a gelatin projectile on the leading edge of composite fan blades. The simplified test article geometry was developed to realistically simulate a blade leading edge while decreasing fabrication complexity. Impact data is presented on baseline composite blades and toughened blades; where a considerable improvement to impact resistance was recorded.

Ballistic Impact↗
NASA NTRS2015

Materials, Manufacturing, and Test Development of a Composite Fan Blade Leading Edge Subcomponent for Improved Impact Resistance

Application of polymer matrix composite materials for jet engine fan blades is becoming attractive as an alternative to metallic blades; particularly for large engines where significant weight savings are recognized on moving to a composite structure. However, the weight benefit of the composite is offset by a reduction of aerodynamic efficiency resulting from a necessary increase in blade thickness; relative to the titanium blades. Blade dimensions are largely driven by resistance to damage on bird strike. Further development of the composite material is necessary to allow composite blade designs to approximate the dimensions of a metallic fan blade. The reduction in thickness over the state of the art composite blades is expected to translate into structural weight reduction, improved aerodynamic efficiency, and therefore reduced fuel consumption. This paper presents test article design, subcomponent blade leading edge fabrication, test method development, and initial results from ballistic impact of a gelatin projectile on the leading edge of composite fan blades. The simplified test article geometry was developed to realistically simulate a blade leading edge while decreasing fabrication complexity. Impact data is presented on baseline composite blades and toughened blades; where a considerable improvement to impact resistance was recorded.

Materials↗
DOE OSTI2015

Study of the processes of degradation of the optical properties of mesoporous and macroporous silicon upon exposure to simulated solar radiation

The effect of solar radiation on the surface composition of mesoporous and macroporous silicon is studied by infrared spectroscopy, Raman spectroscopy, and photoluminescence measurements in order to analyze the possibility of using these materials as a material for solar-power engineering. The studies are conducted in the laboratory environment, with the use of a solar-radiation simulator operating under conditions close to the working conditions of standard silicon solar cells. The studies show that, in general, the materials meet the requirements of solar-power engineering, if it is possible to preclude harmful effects associated with the presence of heat-sensitive and photosensitive bonds at the nanomaterial surface by standard processing methods.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Update of Residential Load Profile for WECC Load Composition Model Using Cross-Correlation Method

The Western Electricity Coordinating Council (WECC) initiated the development of a composite load model for transmission-level power system simulators. To more precisely utilize the model to represent the power consumption pattern for various locations of the WECC network, an up-to-date load composition dataset is required. The study in this paper aims to reconstruct the residential sector of the load composition model (LCM) dataset using latest survey or measurement data. The LCM residential dataset contains load profiles for twelve climate zones and five season types. The northwest energy efficiency alliance (NEEA) launched a study to generate the load profiles for four climate zones in the Pacific Northwest. Based on the NEEA database, a component-wise cross-correlation-based approach has been developed in this paper to update the obsolete residential load profiles of the four pacific northwest climate zones and populate the new load shape data into the other eight climate zones.

Liu, Yuan↗
DOE OSTI2020

Multiscale-Informed Modeling of High Temperature Component Response with Uncertainty Quantification

This report summarizes a joint effort between Argonne National Laboratory, Idaho National Laboratory, and Los Alamos National Laboratory to develop and deploy constitutive models targeted at predicting the life of Grade 91 alloy components subjected to high temperature environments typical of those that structural components in advanced nuclear reactors would experience. Two distinct, but complementary constitutive modeling approaches have been taken here. The first employs a phenomenological viscoplastic model for which parameters have been calibrated based on experimental data for a wide range of Grade 91 alloy that has undergone a variety of processing. A Bayesian approach was used to derive distributions of uncertain parameters for this model based on this data set. The second approach is a reduced order model suitable for engineering-scale analysis that is based on the results of a large set of mesoscale simulations. Mesoscale models allow for the microstructure and composition of a particular alloy to be directly taken into account in the computation of the viscoplastic response, but are computationally expensive, which makes it impractical to directly call those models for the material constitutive response in an engineering-scale simulation. The reduced-order representation of the response of the underlying model used here allows for an engineering-scale model to take into account the characteristics of the underlying microstructure, while only incurring a reasonable computational expense. Both of these approaches have different strengths, and are applicable for different parts of the design/analysis process. The phenomenological models can be readily parameterized based on a set of experimental data for a given class of materials and used for scoping calculations. Once a specific material is chosen and adequately characterized, the reduced order models can accurately predict the response of that specific alloy, and because the models are based on predictive models of the underlying microstructure, they can be used to more confidently predict the response under conditions in regions where there is limited experimental data. Both of these models have been integrated in the Grizzly code, which is used here to perform proof-of-concept uncertainty quantification analyses of a simple component under prototypical conditions. The built- in stochastic analysis capabilities in the MOOSE framework that Grizzly is built on are used here to run large sets of simulations for this uncertainty quantification analysis. As would be expected, because the reduced order models are developed for a much more tightly defined alloy, they predict tighter distributions of the time to failure than the phenomenological models, which are calibrated to a broader set of data. Also important is that these simulations demonstrate that a reduced order modeling approach can be successfully deployed to propagate uncertainties from the material scale to practical engineering-scale component simulations.

42 ENGINEERING↗
DOE OSTI2022

Effective radiative forcing of anthropogenic aerosols in E3SMv1: historical changes, causality, decomposition, and parameterization sensitivities

The effective radiative forcing of anthropogenic aerosols (ERF aer ) is an important measure of the anthropogenic aerosol effects simulated by a global climate model. Here we analyze ERF aer simulated by the E3SMv1 atmosphere model using both century-long free-running atmosphere-land simulations and short nudged simulations. We relate the simulated ERF aer to characteristics of the aerosol composition and optical properties, and evaluate the relationships between key aerosol and cloud properties. In terms of historical changes from the year 1870 to 2014, our results show that the global mean anthropogenic aerosol burden and optical depth increase during the simulation period as expected, but the regional averages show large differences in the temporal evolution. The largest regional differences are found in the emission-induced evolution of the burden and optical depth of the sulfate aerosol: a strong decreasing trend is seen in the Northern Hemisphere high-latitude region after around 1970, while a continued increase is simulated in the tropics. Consequently, although the global mean anthropogenic aerosol burden and optical depth increase from 1870 to 2014, the ERF aer magnitude does not increase after around year 1970. The relationships between key aerosol and cloud properties (relative changes between preindustrial and present-day conditions) also show evident changes after 1970, diverging from the linear relationships exhibited for the period from 1870 to 2014. The ERF aer in E3SMv1 is relatively large compared to the recently published multi-model estimates; the primary reason is the large indirect aerosol effect (i.e., through aerosol-cloud interactions). Compared to other models, E3SMv1 features a stronger sensitivity of the cloud droplet effective radius to changes in the cloud droplet number concentration. Large sensitivity is also seen in the liquid cloud optical depth, which is determined by changes in both the effective radius and liquid water path. Aerosol-induced changes in liquid and ice cloud properties in E3SMv1 are found to have a strong correlation, as the evolution of anthropogenic sulfate aerosols affects both the liquid cloud formation and the homogeneous ice nucleation in cirrus clouds. The ERF aer estimates in E3SMv1 for the shortwave and longwave components are sensitive to the parameterization changes in both liquid and ice cloud processes. When the parameterization of ice cloud processes is modified, the top-of-atmosphere forcing changes in the shortwave and longwave components largely offset each other, so the net effect is negligible. This suggests that, to reduce the magnitude of the net ERF aer , it would be more effective to reduce the anthropogenic aerosol effect through liquid or mixed-phase clouds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Controlled surface segregation leads to efficient coke-resistant nickel/platinum bimetallic catalysts for the dry reforming of methane

Surface composition and structure are of vital importance for heterogeneous catalysts, especially for bimetallic catalysts, which often vary as a function of reaction conditions (known as surface segregation). The preparation of bimetallic catalysts with controlled metal surface composition and structure is very challenging. In this study, we synthesize a series of Ni/Pt bimetallic catalysts with controlled metal surface composition and structure using a method derived from surface organometallic chemistry. The evolution of the surface composition and structure of the obtained bimetallic catalysts under simulated reaction conditions is investigated by various techniques, which include CO-probe IR spectroscopy, high-angle annular dark-field scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near-edge structure analysis, XRD, and X-ray photoelectron spectroscopy. It is demonstrated that the structure of the bimetallic catalyst is evolved from Pt monolayer island-modified Ni nanoparticles to core–shell bimetallic nanoparticles composed of a Ni-rich core and a Ni/Pt alloy shell upon thermal treatment. As a result, these catalysts are active for the dry reforming of methane, and their catalytic activities, stabilities, and carbon formation vary with their surface composition and structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The relation between lignin sequence and its 3D structure

Background: Lignin, the second most abundant biopolymer on earth, plays a major structural role in plants, conferring mechanical strength and regulating water conduction. Understanding the three-dimensional structure of lignin is important for fundamental reasons as well as engineering plants towards lignin valorization. Lignin lacks a specific primary sequence, making its average chemical composition the focus of most recent studies. However, it remains unclear whether the 3D structure of lignin molecules depends on their sequence. Methods: In this work, we performed all-atom molecular dynamics simulation of three S/G-lignin molecules with the same average composition but different sequence. Results: A detailed statistical analysis of the radius of gyration and relative shape anisotropy reveals that the lignin sequence has no statistically significant effect on the global three-dimensional structure. We found however, that homopolymers of C-lignin with the same molecular weight have smaller radii of gyration than S/G-lignin. We attribute this to lower hydroxyl content of C-lignin, which makes it more compact and rigid. Conclusions: The 3D structure of lignin is influenced by the overall content of monomeric units and interunit linkages and not by its precise primary sequence. General Significance: Lignin is assumed to not have a well-defined primary structure. The results presented here demonstrate there are no significant differences in the global 3D structure of lignin molecules with the same average composition but different primary sequence.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2016

Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

Jensen, Benjamin D.↗
DOE OSTI2014

Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading

We present molecular dynamics simulations of the thermomechanical response under shock loading of a granular material consisting of laminated Ni/Al grains. We observe two regimes: At low piston velocities (up ≲ 1km/s), the shock wave is diffuse, and the width of the shock front decreases with increasing piston velocity. Beyond a critical shock strength, however, the width remains relatively constant at approximately the mean grain radius. This change in behavior follows from an evolution of the mechanism of compaction with increasing insult strength. Furthermore, the mechanism evolves from plastic deformation-mediated pore collapse for relatively weak shocks, to solid extrusion and fluid ejecta filling pores ahead of the shock front at intermediate strengths, and finally to atomic jetting into the pore for very strong shocks (up ≳ 2 km/s). High-energy fluid ejecta into pores leads to the formation of flow vorticity and can result in a large fraction of the input energy localizing into translational kinetic energy components including the formation of hot spots. This has implications for the mechanical mixing of Ni and Al in these reactive composites.

36 MATERIALS SCIENCE↗
NASA NTRS2015

The Development of 2700-3000 F Environmental Barrier Coatings for SiC/SiC Ceramic Matrix Composites: Challenges and Opportunities

Environmental barrier coatings (EBCs) and SiCSiC ceramic matrix composites (CMCs) systems will play a crucial role in future turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures, reduce engine weight and cooling requirements. The development of prime-reliant environmental barrier coatings is a key to enable the applications of the envisioned 2700-3000F EBC - CMC systems to help achieve next generation engine performance and durability goals. This paper will primarily address the performance requirements and design considerations of environmental barrier coatings for turbine engine applications. The emphasis is placed on current NASA candidate environmental barrier coating systems for SiCSiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. The efforts have been also directed to developing prime-reliant, self-healing 2700F EBC bond coat; and high stability, lower thermal conductivity, and durable EBC top coats. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, cyclic durability, erosion-impact resistance, and long-term system performance will be described. The research and development opportunities for turbine engine environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling will be discussed.

CMAS Resistance↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Time domain simulation of the response of geometrically nonlinear panels subjected to random loading

The response of composite panels subjected to random pressure loads large enough to cause geometrically nonlinear responses is studied. A time domain simulation is employed to solve the equations of motion. An adaptive time stepping algorithm is employed to minimize intermittent transients. A modified algorithm for the prediction of response spectral density is presented which predicts smooth spectral peaks for discrete time histories. Results are presented for a number of input pressure levels and damping coefficients. Response distributions are calculated and compared with the analytical solution of the Fokker-Planck equations. RMS response is reported as a function of input pressure level and damping coefficient. Spectral densities are calculated for a number of examples.

Moyer, E. Thomas, Jr.↗
NASA NTRS2003

Temporal Evolution of Nanostructures in a Model Nickel-Base Superalloy: Experiments and Simulations

The temporal evolution of the nanostructure of a model Ni-base superalloy (Ni-5.2 at.% Al-14.2 at.% Cr) is studied experimentally employing three-dimensional atom-probe (3DAP) microscopy in conjunction with kinetic Monte Carlo (KMC) simulations at 600 C. It is demonstrated that not only can the mean compositions of individual gamma' (Ni3Al with the Li2 structure) precipitates be measured but the Ni, Al, and Cr concentration profiles within the precipitates can also be determined for precipitates with a mean radius ( ) as small as 0.85 nm. The three asymptotic tinie dependencies of the Lifshitz-Slyzov-Wagner (LSW) theory of coarsening (Ostwald ripening) are measured and found to deviate from its theoretical predictions: possible explanations for these discrepancies are discussed. At 0.25 hr. there is 3DAP microscope evidence for the presence of precipitates of another nickel-rich phase. ="Ni3Cr" (Ni3Cr(1-x)Al(x)), which exhibits short-range order (SRO) and that is metastable with respect to Ni3Al. This metastable phase is also found by KMC simulations and has the composition Ni3Cr(1-x)Al(x), which is Ni-2.91 at.% Al-21.98 at.% Cr at 16 hours. Our results demonstrate that the decomposition of gamma the primary gamma (FCC) phase results in the concurrent formation of an ordered phase and a disordered phase by 0.25 hours.

Sudbrack, Chantal K.↗
DOE OSTI2016

A multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs: Original Research Article: A multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs

This paper applies a multiscale hydro-geochemical-mechanical approach to analyze faulted CO 2 reservoirs using the STOMP-CO 2 -R code that is coupled to the ABAQUS® finite element package. STOMP-CO 2 -R models the reactive transport of CO 2 causing mineral volume fraction changes that are captured by an Eshelby-Mori-Tanka model implemented in ABAQUS®. A three-dimensional (3D) STOMP-CO 2 -R model for a reservoir containing an inclined fault was built to analyze a formation containing a reaction network with 5 minerals: albite, anorthite, calcite, kaolinite and quartz. A 3D finite element mesh that exactly maps the STOMP-CO 2 -R grid is developed for coupled hydro-geochemical-mechanical analyses. The model contains alternating sandstone and shale layers. The impact of reactive transport of CO 2 on the geomechanical properties of reservoir rocks and seals are studied in terms of mineral composition changes that affect their geomechanical responses. Simulations assuming extensional and compressional stress regimes with and without coupled geochemistry are performed to study the stress regime effect on the risk of hydraulic fracture. The tendency for the fault to slip is examined in terms of stress regime, geomechanical and geochemical-mechanical effects as well as fault inclination. The results show that mineralogical changes due to long-term injection of CO 2 reduce the permeability and elastic modulus of the reservoir, leading to increased risk of hydraulic fracture in the injection location and at the caprock seal immediately above the injection zone. Fault slip is not predicted to occur. However, fault inclination and stress regime have an important impact on the slip tendency factor.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Nonparametric Multiparticle Set Methods for Interpreting Environmental Samples

Collection and analysis of environmental samples is commonly used by a range of stakeholders in nuclear safeguards and security contexts. While the ubiquity of samples and their transport in the environment allow regular collection, developing and demonstrating methods for analyzing these samples is difficult. In this work, an environmental sample consists of a set of one or more individual particles. Recent advances in reactor simulation have allowed us to generate data that are more representative of real-world environmental samples, enabling statistically defensible method development and testing. The most notable of these advances is a drastic increase in the number of material depletion regions, which allows our simulations to capture the variation in isotopic composition seen at length scales consistent with environmental samples. Traditional approaches for handling multiparticle samples treat each particle in the sample individually, estimating the quantity of interest (e.g., core-average burnup) resulting from measurement and analysis of signatures (e.g., nuclide assays) from each individual particle. Individual estimates are then averaged to generate a single estimate of the quantity of interest over the entire sample. In this presentation, we introduce two novel approaches for interpreting environmental samples that comprise of multiple particles: (1) the Quantile-Quantile Comparator, which uses a multivariate generalization of quantile-quantile plots for comparing unknown statistical distributions, and (2) the Set Transformer, an attention-based neural network module designed to model interactions among elements (particles) in the input set (sample). Statistically representative sampling cannot be guaranteed as samples are passively collected and are beholden to what particles are available in the environment. These new analysis methods for set-input problems are expected to be more robust than traditional approaches to issues of sampling bias where particles are not uniformly distributed throughout regions of interest, as well as generally outperform traditional approaches by jointly considering all elements in the set. We will present results comparing the performance of traditional single particle approaches and the novel Quantile-Quantile Comparator and Set Transformer for interpretation of simulated environmental samples.

Phathanapirom, Birdy↗
NASA NTRS1992

Atmospheric effects on the NDVI - Strategies for its removal

The compositing technique used to derive global vegetation index (NDVI) from the NOAA AVHRR radiances reduces the residual effect of water vapor and aerosol on the NDVI. The reduction in the atmospheric effect is shown using a comprehensive measured data set for desert conditions, and a simulation for grass with continental aerosol. A statistical analaysis of the probability of occurrence of aerosol optical thickness and precipitable water vapor measured in different climatic regimes is used for this simulation. It is concluded that for a long compositing period (e.g., 27 days), the residual aerosol optical thickness and precipitable water vapor are usually too small to be corrected. For a 9-day compositing, the residual average aerosol effect may be about twice the correction uncertainty. For Landsat TM or Earth Observing System Moderate Resolution Imaging Spectrometer (EOS-MODIS) data, the newly defined atmospherically resistant vegetation index (ARVI) is more promising than possible direct atmospheric correction schemes, except for heavy desert dust conditions.

Kaufman, Y. J.↗
NASA NTRS2010

Process to Create High-Fidelity Lunar Dust Simulants

A method was developed to create high-fidelity lunar dust simulants that better match the unique properties of lunar dust than the existing simulants. The new dust simulant is designed to more closely approximate the size, morphology, composition, and other important properties of lunar dust (including the presence of nanophase iron). A two-step process is required to create this dust simulant. The first step is to prepare a feedstock material that contains a high percentage of agglutinate-like particles with iron globules (including nanophase iron). The raw material selected must have the proper mineralogical composition. In the second processing step, the feedstock material from the first step is jet-milled to reduce the particle size to a range consistent with lunar dust.

Gustafson, Robert↗