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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dielectric and Structural Properties of the Hybrid Material Polyvinylidene Fluoride-Bacterial Nanocellulose-Based Composite

In the search for environmentally friendly materials with a wide range of properties, polymer composites have emerged as a promising alternative due to their multifunctional properties. This study focuses on the synthesis of composite materials consisting of four components: bacterial nanocellulose (BNC) modified with magnetic Fe 3 O 4 , and a mixture of BaTiO 3 (BT) and polyvinylidene fluoride (PVDF). The BT powder was mechanically activated prior to mixing with PVDF. The influence of BT mechanical activation and BNC with magnetic particles on the PVDF matrix was investigated. The obtained composite films’ structural characteristics, morphology, and dielectric properties are presented. This research provides insights into the relationship between mechanical activation of the filler and structural and dielectric properties in the PVDF/BT/BNC/Fe 3 O 4 system, creating the way for the development of materials with a wide range of diverse properties that support the concept of green technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Alternative Hanford ETF Grout Evaluation Report

The Hanford Effluent Treatment Facility (ETF) ammonia tolerant grout waste form was developed by the Vitreous State Laboratory (VSL) to stabilize ammonium and thereby prevent emission of ammonia vapor during processing of a final cementitious waste form. This ETF evaporator bottom waste is a concentrated sodium sulfate aqueous solution that also contains dissolved ammonium. The VSL waste form was produced in a two-step process in which struvite (MgNH 4 PO 4.6 H 2 O) is precipitated and then the resulting slurry is solidified in a cementitious matrix. SRNL researchers were tasked to evaluate the effect of compositional and struvite stability in simulated ETF evaporator brine. In 2022 to 2023, samples prepared by SRNL experienced significant expansion (up to 20 volume %) which was not observed by VSL.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Fast Gaussian Process Estimation for Large-Scale In Situ Inference using Convolutional Neural Networks

Exascale computing will bring with it significant I/O limitations. One foreseeable consequence of such restrictions is that the user can save only a small fraction of complex simulation data to disk for subsequent analysis. An alternative is to fit statistical models to data in situ, that is, inside the simulation as it runs. This option requires extremely fast statistical estimation to avoid slowing down the simulation. Gaussian processes (GPs) have state-of-the-art predictive performance for modeling spatial data. However, standard estimation methods for GPs scale quite poorly to large data sets as parameter estimation requires inverting a covariance matrix to the size of the data set. In the presented work, we use a convolutional neural network (CNN) to predict the GP parameters for a spatial data set, from a simulation or otherwise, rather than optimize the parameters directly. Here, our presented case study models spatial data from E3SM, the Department of Energy’s Exascale climate model. The CNN is trained on synthetic data simulated from GP models with known parameters and then applied to data from the climate simulation. In the presented examples, the neural network scheme produces parameter estimates that compare well with standard methods such as maximum likelihood estimation in predictive performance but is obtained four orders of magnitude faster.

big data↗
DOE OSTI2026

Data Associated with "Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass"

This is data associated with the publication " Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass " by Aesha P. Patel, Ryan Muzzio, Matthew R. Young, Robert Morrissey, Suresh Chaulagain, B. Edward Sartor, Prabodika N. Kaluarachchi, Christian Velez, Joshua A. Brown, Joel N. Duenow, Stephen Glynn, Michael J. Heben, Zhaoning Song, Nikolas J. Podraza, Adam B. Phillips, Randy J. Ellingson, Matthew O. Reese. All data associated with each figure in the manuscript and supplementary should be available in this dataset. A readme file is also included to provide some guidance. Abstract: Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front-contact instability under higher-temperature processing. Here, the role of front-contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front-contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗
NASA NTRS2006

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗
NASA NTRS2005

Doping-Induced Interband Gain in InAs/AlSb Quantum Wells

A paper describes a computational study of effects of doping in a quantum well (QW) comprising a 10-nm-thick layer of InAs sandwiched between two 21-nm-thick AlSb layers. Heretofore, InAs/AlSb QWs have not been useful as interband gain devices because they have type-II energy-band-edge alignment, which causes spatial separation of electrons and holes, thereby leading to weak interband dipole matrix elements. In the doping schemes studied, an interior sublayer of each AlSb layer was doped at various total areal densities up to 5 X 10(exp 12) / square cm. It was found that (1) proper doping converts the InAs layer from a barrier to a well for holes, thereby converting the heterostructure from type II to type I; (2) the resultant dipole matrix elements and interband gains are comparable to those of typical type-I heterostructures; and (3) dipole moments and optical gain increase with the doping level. Optical gains in the transverse magnetic mode can be almost ten times those of other semiconductor material systems in devices used to generate medium-wavelength infrared (MWIR) radiation. Hence, doped InAs/AlSb QWs could be the basis of an alternative material system for devices to generate MWIR radiation.

Kolokolov, K. I.↗
DOE OSTI2024

Spinon continuum in the Heisenberg quantum chain compound Sr 2 ⁢V 3 ⁢O 9

Magnetic excitations in the spin chain candidate Sr 2 ⁢V 3 ⁢O 9 have been investigated by inelastic neutron scattering on a single crystal sample. A spinon continuum with a bandwidth of ~22 meV is observed along the chain formed by alternating magnetic V 4+ and nonmagnetic V 5+ ions, which reveals the importance of the orbital degree of freedom in determining the chain axis as identified by prior electronic structure calculations. Incipient magnetic Bragg peaks due to weak ferromagnetic interchain couplings emerge when approaching the magnetic transition at T N ~ 5.3 K, while the excitations remain gapless within the instrumental resolution. Comparisons to the Bethe ansatz, density matrix renormalization group calculations, and effective field theories confirm Sr 2 ⁢V 3 ⁢O 9 as a host of weakly coupled S = 1/2 chains dominated by antiferromagnetic intrachain interactions of ~7.1(1) meV.

1-dimensional spin chains↗
DOE OSTI2024

Designing Ti-6Al-4V microstructure for strain delocalization using neural networks

Abstract The deformation behavior of Ti-6Al-4V titanium alloy is significantly influenced by slip localized within crystallographic slip bands. Experimental observations reveal that intense slip bands in Ti-6Al-4V form at strains well below the macroscopic yield strain and may serially propagate across grain boundaries, resulting in long-range localization that percolates through the microstructure. These connected, localized slip bands serve as potential sites for crack initiation. Although slip localization in Ti-6Al-4V is known to be influenced by various factors, an investigation of optimal microstructures that limit localization remains lacking. In this work, we develop a novel strategy that integrates an explicit slip band crystal plasticity technique, graph networks, and neural network models to identify Ti-6Al-4V microstructures that reduce the propensity for strain localization. Simulations are conducted on a dataset of 3D polycrystals, each represented as a graph to account for grain neighborhood and connectivity. The results are then used to train neural network surrogate models that accurately predict localization-based properties of a polycrystal, given its microstructure. These properties include the ratio of slip accumulated in the band to that in the matrix, fraction of total applied strain accommodated by slip bands, and spatial connectivity of slip bands throughout the microstructure. The initial dataset is enriched by synthetic data generated by the surrogate models, and a grid search optimization is subsequently performed to find optimal microstructures. Describing a 3D polycrystal with only a few features and a combination of graph and neural network models offer robustness compared to the alternative approaches without compromising accuracy. We show that while each material property is optimized through a unique microstructure solution, elongated grain shape emerges as a recurring feature among all optimal microstructures. This finding suggests that designing microstructures with elongated grains could potentially mitigate strain localization without compromising strength.

Ahmadikia, Behnam↗
NASA NTRS1998

Technical Challenges for Next Generation Liquid Rocket Engine Nozzles

Next generation launch and propulsion systems face significant challenges of providing increased performance at lower cost with shorter development cycles. The use of existing materials in new application areas and the development and application of "advanced" material systems are enabling for the achievement of these aggressive goals. An area which offers substantial opportunity to decrease liquid rocket engine systems weight, and thus provide a measure of increased performance, is the nozzle. This presentation will examine the technical issues and showstoppers limiting the application of alternate materials to liquid rocket engine nozzles and identify the key material systems which have the potential for high payoff relative to the forcing functions of cost and performance (weight). Existing nozzle material development projects will be cited and opportunities for future joint partnerships to address these materials and processes challenges will be addressed. The presentation will include overviews of activities in low cost ablative nozzles, ceramic matrix composite cooled and uncooled nozzles, and advanced metallics.

Clinton, R. G., Jr.↗
NASA NTRS2004

Ceramic Matrix Composite Vane Subelements Tested in a Gas Turbine Environment

The use of ceramic matrix composites (CMCs) as vanes for the next generation of turbine engines is under evaluation for improving engine performance, such as lowering emissions and enabling higher cycle efficiency, relative to today's engines with superalloy hot section components. Because of the high-temperature capability of this class of materials, CMC vanes would be able to operate with higher combustion exit temperatures than today's engines can. Alternatively, a potential vane cooling requirement reduction of 15 to 25 percent for a CMC, such as SiC/SiC, relative to a single-crystal superalloy would be realized if the combustion operation was not altered.

Verrilli, Michael J.↗
NASA NTRS1996

The Surfaces of Pluto and Charon

Much of the surface of Pluto consists of high-albedo regions covered to an unknown depth by Beta-N2, contaminated with CH4, CO, and other molecules. A portion of the exposed surface appears to consist of solid H2O. The remainder is covered by lower albedo material of unknown composition. The N2 ice may occur as polar caps of large extent, leaving ices and other solids of lower volatility in the equatorial regions. The low-albedo material found primarily in the equatorial regions may consist in part of solid hydrocarbons and nitriles produced from N2 and CH4 in the atmosphere or in the surface ices. Alternatively, it may arise from deposition from impacting bodies and/or the chemistry of the impact process itself. Charon's surface is probably more compositionally uniform than that of Pluto, and is covered by H2O ice with possible contaminants or exposures of other materials that are as yet unidentified. The molecular ices discovered on Pluto and Charon have been identified from near-infrared spectra obtained with Earth-based telescopes. The quantitative interpretation of those data has been achieved through the computation of synthetic spectra using the Hapke scattering theory and the optical constants of various ices observed in the laboratory. Despite limitations imposed by the availability of laboratory data on ices in various mixtures, certain specific results have been obtained. It appears that CH4 and CO are trace constituents, and that some fraction of the CH4 (and probably the CO) on Pluto is dissolved in the matrix of solid N2. Pure CH4 probably also occurs on Pluto's surface, allowing direct access to the atmosphere. Study of the nitrogen absorption band at 2.148 micrometers shows that the temperature of the N2 in the present epoch is 40 +/-2 K. The global temperature regime of Pluto can be modeled from observations of the thermal flux at far-infrared and millimeter wavelengths. The low-albedo equatorial regions must be significantly warmer than the polar regions covered by N2 (at T = 40 K) to account for the total thermal flux measured. At the present season, the diurnal skin depth of the insolation-driven thermal wave is small, and the observed mm-wave fluxes may arise from a greater depth. Alternatively, the mm-wave flux may arise from the cool, sublimation source region. The surface microstructure in the regions covered by N2 ice is likely governed by the sintering properties of this highly volatile material. The observed nitrogen infrared band strength requires that expanses of the surface be covered with cm-sized crystals of N2. Grains of H2O ice on Charon, in contrast, are probably of order 50 micrometers in size, and do not metamorphose into larger grains at a significant rate. Because of the similarities in size, density, atmosphere and surface composition between Pluto and Neptune's satellite Triton, the surface structures observed by Voyager on Triton serve as a plausible paradigm for what might be expected on Pluto. Such crater forms, tectonic structures, aeolian features, cryovolcanic structures, and sublimation-degraded topography as are eventually observed on Pluto and Charon by spacecraft will give information on their interior compositions and structures, as well as on the temperature and wind regimes over the planet's extreme seasonal cycle.

Cruikshank, Dale P.↗
DOE OSTI2020

Low-energy cross-section measurement of the B 10 ( α , n ) N 13 reaction and its impact on neutron production in first-generation stars

Nucleosynthesis in the first generation of massive stars offers a unique setting to explore the creation of the first heavier nuclei in an environment free of impurities from earlier stellar generations. In later generations of massive stars, hydrogen burning occurs predominantly through the CNO cycles, but without the carbon, nitrogen, and oxygen to catalyze the reaction sequence, first stars would have to rely on the inefficient pp chains for their energy production. Observations of second and third generation stars show pronounced abundances of carbon and oxygen isotopes, which suggests a rapid conversion of the primordial abundances to heavier elements. While the triple-alpha-process primarily facilitates this conversion, there are alternative reaction sequences, such as 2 H(α,γ) 6 Li(α,γ) 10 B(α,n) 13 N, that may play a significant role. To study such alternate reaction pathways for production of carbon and heavier nuclei, a number of new measurements are needed. In this work, new measurements are reported for the 10 B(α,n) 13 N reaction, extending the cross section down to 575 keV incident α-particle energy. The measurements were made using a state-of-the-art deuterated liquid scintillator and a spectrum unfolding technique. An R-matrix analysis was performed in order to facilitate a comparison of the underlying nuclear structure with the reaction measurements. An unexpected upturn is observed in the low-energy S factor that indicates the presence of a new low-energy resonance. Finally, a revised reaction rate is determined that takes into account the present data as well as other previous measurements from the literature that were previously neglected.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Low-rank Tensor Completion for PMU Data Recovery

This paper proposes a tensor completion method for the recovery of missing phasor measurement unit (PMU) measurements. Tensor completion as the general case of matrix completion has attracted increasing attention in recent years. The imputation accuracy for the existing matrix completion methods may be significantly reduced when there are consecutive data losses across multiple data channels. To tackle this issue, we explore the multi-way characteristics of PMU measurements by using a tensor model. We leverage the low-rank property of the PMU measurements and formulate the missing PMU data recovery problem as a low-rank tensor completion problem. An efficient algorithm based on alternating direction method of multipliers (ADMM) is developed to solve the tensor completion problem. The experiments using the real PMU dataset show that the proposed method exhibits better imputation accuracy compared with the conventional data recovery methods.

Ghasemkhani, Amir↗
NASA NTRS1983

Optimal trajectories for aeroassisted orbital transfer

Consideration is given to classical and minimax problems involved in aeroassisted transfer from high earth orbit (HEO) to low earth orbit (LEO). The transfer is restricted to coplanar operation, with trajectory control effected by means of lift modulation. The performance of the maneuver is indexed to the energy expenditure or, alternatively, the time integral of the heating rate. Firist-order optimality conditions are defined for the classical approach, as are a sequential gradient-restoration algorithm and a combined gradient-restoration algorithm. Minimization techniques are presented for the aeroassisted transfer energy consumption and time-delay integral of the heating rate, as well as minimization of the pressure. It is shown that the eigenvalues of the Jacobian matrix of the differential system is both stiff and unstable, implying that the sequential gradient restoration algorithm in its present version is unsuitable. A new method, involving a multipoint approach to the two-poing boundary value problem, is recommended.

Miele, A.↗
NASA NTRS1983

Creep fatigue life prediction for engine hot section materials (isotropic)

The activities performed during the first year of the NASA HOST Program, Creep Fatigue Life Prediction for Engine Hot Section Materials (Isotropic), being conducted by Pratt & Whitney Aircraft are summarized. The program is a 5 year, two part effort aimed at improving the high temperature crack initiation prediction technology for gas turbine hot section components. Significant results of the program produced thus far are discussed. Cast B1900 + Hf and wrought IN 718 were selected as the base and alternate materials, respectively. A single heat of B1900 + Hf was obtained and test specimens fabricated. The material was characterized with respect to grain size, gamma prime size, carbide distribution, and dislocation density. Monotonic tensile and creep testing has shown engineering properties within anticipated scatter for this material. Examination of the tensile tests has shown a transition from inhomogeneous planar slip within the grains at lower temperatures to more homogeneous matrix deformation. Examination of the creep tests has shown a transgranular failure mode at 1400 F and an intergranular failure mode at 1600 F and 1800 F.

Moreno, V.↗
NASA NTRS2006

Novel Nanolaminates for Aerospace Applications

Nanolaminate manufacturing (NLM) is a new way of developing materials whose properties can far exceed those of homogeneous materials. Traditional alloys, composites and bulk laminates tend to average the properties of the materials from which they were made. With nanostructured materials, the high density of interfaces between dissimilar materials results in novel material properties. For example, materials made -from alternating nanoscale layers of metals and oxides have exhibited thermal conductivities far below those of the oxides themselves. Also, metallic nanolaminates can have peak strengths 100 times lager than the bulk constituent metals. Recent work at MSFC has focused on the development of nickel/aluminum oxide (Ni/Al2O3)) nanolaminates. Ni/Al2O3 nanolaminates are expected to have better strength, creep and fatigue resistance, oxygen compatibility, and corrosion resistance than the traditional metal-matrix composites of this material, which has been used in a variety of aerospace applications. A chemical vapor deposition (CW) system has been developed and optimized for the deposition of nanolaminates. Nanolaminates with layer thicknesses between 10 and 300 nm have been successfully grown and characterization has included scanning electron microscopy (SEM) and atomic force microscopy (AFM) Nanolaminates have a large variety of potential applications. They can be tailored to have both very small and anisotropic thermal conductivities and are promising as thermal coatings for both rock$ engine components and aerobraking structures. They also have the potential to be used in aerospace applications where strength at high temperatures, corrosion resistance or resistance to hydrogen embrittlement is important. Both CVD and magnetron sputtering facilities are available for the deposition of nanolayered materials. Characterization equipment includes SEM, AFM, X-ray diffraction, transmission electron microscopy, optical profilometry, and mechanical tensile pull testing.

Volz, Martin↗
DOE OSTI2022

Reactor Performance and Safety Characteristics of Beryllium-Based Composite Moderators as Replacements for Graphite in mHTGRs

Here, this study evaluates beryllium-based two-phase composite moderators as an alternative to graphite in an evaluation of reactor performance and safety characteristics. Historically, modular high-temperature gas-cooled reactors (mHTGRs) use graphite as a moderator because of its high moderating ratio and reasonable thermal properties; however, graphite has unfavorable properties under irradiation, which can require component replacement and a significant radioactive waste burden. In this assessment, we explore advanced moderators comprised of magnesium oxide (MgO) as the host matrix and beryllium metal and/or beryllium oxide (Be and/or BeO) as the entrained moderating phase. For the reactor performance and thermal-hydraulic safety analysis, the core design model of the General Atomics mHTGR-350 was used to demonstrate the feasibility of a “drop-in” replacement of graphite using the beryllium-based moderators. We employed the neutronics code Serpent to analyze the moderating behavior of the composite moderators with comparisons drawn to graphite. We performed a scoping analysis of accidents for mHTGRs using RELAP to show that these moderators do not present impediments to safety and are expected to stay within temperature limits. Measured thermophysical properties of the composite moderators are used in the thermal-hydraulic assessments. Our analysis reveals that the two-phase composite MgO-matrix beryllium-based moderators are a suitable replacement for graphite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2011

FE and MG Isotopic Analyses of Isotopically Unusual Presolar Silicate Grains

Interstellar and circumstellar silicate grains are thought to be Mg-rich and Fe-poor, based on astronomical observations and equilibrium condensation models of silicate dust formation in stellar outflows. On the other hand, presolar silicates isolated from meteorites have surprisingly high Fe contents and few Mg-rich grains are observed. The high Fe contents in meteoritic presolar silicates may indicate they formed by a non-equilibrium condensation process. Alternatively, the Fe in the stardust grains could have been acquired during parent body alteration. The origin of Fe in presolar silicates may be deduced from its isotopic composition. Thus far, Fe isotopic measurements of presolar silicates are limited to the Fe-54/Fe-56 ratios of 14 grains. Only two slight anomalies (albeit solar within error) were observed. However, these measurements suffered from contamination of Fe from the adjacent meteorite matrix, which diluted any isotopic anomalies. We have isolated four presolar silicates having unusual O isotopic compositions by focused ion beam (FIB) milling and obtained their undiluted Mg and Fe isotopic compositions. These compositions help to identify the grains stellar sources and to determine the source of Fe in the grains.

Nguyen, A. N.↗