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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Transition metal-based bimetallic MOFs and MOF-derived catalysts for electrochemical oxygen evolution reaction

The oxygen evolution reaction (OER) is a critical electrochemical reaction in water splitting and rechargeable metal–air batteries. It plays a pivotal role in achieving high-efficiency clean-energy production and energy storage in these devices. Transition metal-based bimetallic MOFs (TMB MOFs) with two different metal ions possess specific synergistic effects, which could exhibit OER performance and stability superior to those of the corresponding monometallic MOFs for water oxidation. Benefiting from the diversity of chemical composition and structural type, TMB MOFs can also serve as precursors and templates to obtain alloy-particle-decorated carbon materials with high surface area, or metal compounds such as bimetallic sulfides, phosphides, and hydroxides with atomic-level mixing of heterometallic elements. These materials with high-density active sites exhibit much improved catalytic activity in the water oxidation reaction. Furthermore, this article aims to review the recent progress with TMB MOFs and their derivatives in relation to applications as electrocatalysts in OER, including analysis of the mechanism of the OER process with the assistance of DFT calculations and in situ or operando techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2021

New reference materials for trace-levels of actinide elements in plutonium

In this report two plutonium oxides were prepared as unique reference materials for measurement of actinide elements present as trace constituents. Each reference material unit is approximately 200 mg of PuO 2 powder in a quartz glass bottle. Characterized attributes of the oxides included mass fractions of plutonium, americium, neptunium, and uranium. Isotope-amount ratios were also determined for plutonium and uranium, but neptunium and americium were observed to be monoisotopic 237 Np and 241 Am. Measurements for characterization and verification of the attributes show that plutonium and trace actinides are homogeneous with the exception of limited heterogeneity for uranium, primarily observed for the 238 U isotope. Model purification ages calculated from measured americium and uranium attribute values are consistent with material histories and indicate that these impurities are predominantly due to the decay of plutonium isotopes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Evaluation of Compton suppression for enhancing trace element identification in neutron activation analysis of reference materials

Neutron activation analysis (NAA) is a powerful technique for identifying and quantifying trace elements in materials. However, challenges such as high dead times, spectral interferences, and high Compton continuum often arise. This study employs a Compton suppression system (CSS) to enhance NAA sensitivity by reducing the Compton continuum, thereby improving the peak-to-Compton ratio. National Institute of Standards and Technology certified reference materials 1632d, 1633c, and Canadian National Research Council TORT-1 were irradiated in a thermal and epithermal neutron flux under various irradiation, decay and counting times and analyzed using high-resolution gamma-ray spectroscopy with and without Compton suppression. The reduction factor was calculated to evaluate the effectiveness of the CSS, demonstrating significant background reduction and improved detection limits for trace elements. Additional experiments with a 137Cs point source demonstrated the impact of detector-source geometry on system performance, showing a decrease in the reduction factor as the source was moved further from the NaI detector. An optimum distance between the source and HPGe detector was observed, yielding the highest peak-to-Compton ratio. The results highlight the CSS's ability to minimize spectral interference and enhance elemental identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Electrophoretic deposition for improved trace element homogeneity in silica reference materials

Spatially-resolved analysis requires homogeneous reference materials (RMs) to make reliable quantitative measurements. Here we previously developed an electrophoretic deposition (EPD) method for fabrication of glassy microanalytical RMs with superior platinum-group element homogeneity **[1], and now include further dopants. For 39 trace elements, we analyzed dopant homogeneity in sintered silica (SiO 2 ) samples consolidated either mechanically by die-pressing (DP) or by EPD. A set of EPD and DP samples was made from each of two nanoparticle feedstocks produced by variations of the Stöber process **[2]. Spatially-resolved dopant distribution was characterized in all samples by laser-ablation inductively-coupled plasma mass spectrometry (LA-ICP-MS). In both sample sets, homogeneity of most trace elements was substantially improved by EPD relative to their DP counterpart.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Status of the Ablative Laser Propulsion Studies

We present a short review of our laser-propulsion research as well as some of the current results of the Ablative Laser Propulsion (ALP) studies currently underway at the University of Alabama in Huntsville. It has been shown that direct surface ablation of a solid material produces high specific impulse (Isp) at relatively high energy conversion efficiency (20 - 40%). We detail measurements of specific impulse, thrust and coupling coefficients for elemental target materials both with single and with double pulse laser shots. We also present measurements taken using three independent methods for determination of Isp. The three methods produce consistent values from ion time-of-flight technique, impulse measurements and imaging of the expansion front of plasma plume. We present a demonstration of our ALP lightcraft, a small free-flying micro-vehicle that is propelled by ablation. For ALP lightcraft we use a subscale thin shell of nickel replicated over a diamond turned mandrel that produces a highly polished self-focusing, truncated at the focus parabolic mirror. The mass of the lightcraft is 54 mg and it is driven by 100-ps wide, 35-mJ laser pulses at 532 nm wavelength. This is an ongoing research. We also present the latest work on laserdriven micro-thrusters and detail some the near term goals of our program.

Herren, Kenneth A.↗
DOE OSTI2025

Electronic Structure Progression across the ACu 2 Q 2 (MQ 2 ) n Semiconductor Series

Moving beyond the engineering of known materials and elemental substitution within common structure types is critical for designing unique properties. Here, we present a new homologous series, ACu 2 Q 2 (MQ 2 ) n (A = Sr, Ba, 2Na; MQ 2 = ZrS2, HfSe 2 ), establishing 11 new members. In β-BaCu 2 Q 2 and Na 2 Cu 2 Se 2 (n = 0), the [Cu 2 Q 2 ] 2– motifs extend in two dimensions, whereas those in α-BaCu 2 Q 2 extend in three dimensions. Hence, there are two structural evolutions within the ACu 2 Q 2 (MQ 2 )n family driven by the polymorphism of the host structures. MQ 2 (n → ∞) displays 2D layers of edge-sharing [MQ 6 ] 8– octahedra that are 1-octahedron-thick and connected via van der Waals bonding. Each insertion of MQ 2 into ACu 2 Q 2 incorporates [MQ 6 ] 8– octahedra extending infinitely in one direction, confined to being 1-octahedron-thick in the second direction, with n controlling the number of [MQ 6 ] 8– octahedra in the third direction. Therefore, increasing n predictively expands the [Cu 2 MnQ 2n+2 ] 2– network in the direction controlled by n and relative to the A + /A 2+ ions. We demonstrate that for a given set of elements, one can enforce a “Host(Insertion)n” formula to systematically evolve both crystal and electronic structures from the host (n = 0) to the insertion (n → ∞) materials through intermediate values of n. Specifically, the energetic misalignment of the electronic band extrema of the parents predictively determines the band extrema and the resulting band gaps of all intermediate n members.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Plate and butt-weld stresses beyond elastic limit, material and structural modeling

Ultimate safety factors of high performance structures depend on stress behavior beyond the elastic limit, a region not too well understood. An analytical modeling approach was developed to gain fundamental insights into inelastic responses of simple structural elements. Nonlinear material properties were expressed in engineering stresses and strains variables and combined with strength of material stress and strain equations similar to numerical piece-wise linear method. Integrations are continuous which allows for more detailed solutions. Included with interesting results are the classical combined axial tension and bending load model and the strain gauge conversion to stress beyond the elastic limit. Material discontinuity stress factors in butt-welds were derived. This is a working-type document with analytical methods and results applicable to all industries of high reliability structures.

Verderaime, V.↗
NASA NTRS1992

Numerical analysis of the Iosipescu specimen for composite materials

A finite element analysis of the Iosipescu shear tests for unidirectional and cross-ply composites is presented. It is shown that an iterative analysis procedure must be used to model the fixture-specimen kinematics. The correction factors which are needed to compensate for the nonuniformity of stress distribution in calculating shear modulus are shown to be dependent on the material orthotropic ratio and the finite element loading models. Test section strain distributions representative of typical graphite-epoxy specimens are also presented.

Ho, H.↗
NASA NTRS1993

Numerical analysis of the Iosipescu specimen for composite materials

A finite element analysis of the Iosipescu shear tests for unidirectional and cross-ply composites is presented. It is shown that an iterative analysis procedure must be used to model the fixture-specimen kinematics. The correction factors which are needed to compensate for the nonuniformity of stress distribution in calculating shear modulus are shown to be dependent on the material orthotropic ratio and the finite element loading models. Test section strain distributions representative of typical graphite-epoxy specimens are also presented.

Ho, H.↗
NASA NTRS1973

Task 7: Image Enhancement and Advanced Information Extraction Techniques, 1385

The author has identified the following significant results. Atmospheric effects in satellite multispectral scanner data can influence results obtained with either manual image interpretation or computer information extraction techniques. The atmosphere attenuates radiation arriving from the surface and adds an extraneous path radiance component. Initial results of an investigation of atmospheric effects in ERTS-1 data are presented. Empirical analyses of ERTS-1 MSS data and simultaneous airborne MSS underflight data for one frame, along with theoretical calculations of atmospheric effects, are discussed. The effect of limited spatial resolution on the accuracy of information extracted from ERTS-1 data also is important. Problems occur when individual resolution elements contain two or more materials. Results from an initial application of Environmental Research Institute of Michigan techniques for estimating proportions of materials within individual elements are presented and discussed. Very accurate determination of surface areas of small lakes is achieved.

Malila, W. A.↗
NASA NTRS1973

Atmospheric effects in ERTS-1 data, and advanced information extraction techniques

Atmospheric effects in satellite multispectral scanner data can influence results obtained with either manual image interpretation or computer information extraction techniques. The atmosphere attenuates radiation arriving from the surface and adds an extraneous path radiance component. Initial results of an investigation of atmospheric effects in ERTS data are presented. Empirical analyses of ERTS MSS data and simultaneous airborne MSS underflight data for one frame, along with theoretical calculations of atmospheric effects, are discussed. The effect of limited spatial resolution on the accuracy of information extracted from ERTS data also is important. Problems occur when individual resolution elements contain two or more materials. Results from an initial application of ERIM techniques for estimating proportions of materials within individual elements are presented and discussed. Very accurate determination of surface areas of small lakes is achieved.

Malila, W. A.↗
NASA NTRS1994

Near tip stress and strain fields for short elastic cracks

Recent experimental fatigue crack growth studies have concluded an apparent anomalous behavior of short cracks. To investigate the reasons for this unexpected behavior, the present paper focuses on identifying the crack length circumstances under which the requirements for a single parameter (K(sub I) or delta K(sub I) if cyclic loading is considered) characterization are violated. Furthermore, an additional quantity, the T stress, as introduced by Rice, and the related biaxiality ratio, B, are calculated for several crack lengths and two configurations, the single-edge-cracked and the centrally-cracked specimen. It is postulated that a two-parameter characterization by K and T (or B) is needed for the adequate description of the stress and strain field around a short crack. To further verify the validity of this postulate, the influence of the third term of the Williams series on the stress, strain and displacement fields around the crack tip and in particular on the B parameter is also examined. It is found that the biaxiality ratio would be more negative if the third term effects are included in both geometries. The study is conducted using the finite element method with linearly elastic material and isoparametric elements and axial (mode I) loading. Moreover, it is clearly shown that it is not proper to postulate the crack size limits for 'short crack' behavior as a normalized ratio with the specimen width, a/w; it should instead be stated as an absolute, or normalized with respect to a small characteristic dimension such as the grain size. Finally, implications regarding the prediction of cyclic (fatigue) growth of short cracks are discussed.

Soediono, A. H.↗
NASA NTRS1997

Moessbauer Mineralogy on the Moon: The Lunar Regolith

A first-order requirement for spacecraft missions that land on solid planetary objects is instrumentation for mineralogical analyses. For purposes of providing diagnostic information about naturally-occurring materials, the element iron is particularly important because it is abundant and multivalent. Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present and provides information about formation and modification (weathering) processes. Because Moessbauer spectroscopy is sensitive to both the valence of iron and its local chemical environment, the technique is unique in providing information about both the relative abundance of iron-bearing phases and oxidation state of the iron. The Moessbauer mineralogy of lunar regolith samples (primarily soils from the Apollo 16 and 17 missions to the Moon) were measured in the laboratory to demonstrate the strength of the technique for in situ mineralogical exploration of the Moon. The regolith samples were modeled as mixtures of five iron-bearing phases: olivine, pyroxene, glass, ilmenite, and metal. Based on differences in relative proportions of iron associated with these phases, volcanic ash regolith can be distinguished from impact-derived regolith, impact-derived soils of different geologic affinity (e.g., highlands, maria) can be distinguished on the basis of their constituent minerals, and soil maturity can be estimated. The total resonant absorption area of the Moessbauer spectrum can be used to estimate total FeO concentrations.

Morris, Richard V.↗
NASA NTRS1985

Creep crack growth predictions in INCO 718 using a continuum damage model

Creep crack growth tests have been carried out in compact type specimens of INCO 718 at 1200 F (649 C). Theoretical creep crack growth predictions have been carried out by incorporating a unified viscoplastic constitutive model and a continuum damage model into the ARAQUS nonlinear finite element program. Material constants for both the viscoplastic model and the creep continuum damage model were determined from tests carried out on uniaxial bar specimens of INCO 718 at 1200 F (649 C). A comparison of the theoretical creep crack growth rates obtained from the finite element predictions with the experimentally observed creep crack growth rates indicates that the viscoplastic/continuum damage model can be used to successfully predict creep crack growth in compact type specimens using material constants obtained from uniaxial bar specimens of INCO 718 at 1200 F (649 C).

Walker, K. P.↗
NASA NTRS1980

Mode I fracture behavior of nonlinear materials

A finite element analysis is presented for the Mode I fracture behavior of cracked plates (stationary crack) made of different nonlinear materials (elastoplastic or elastic locking). The assumed stress-strain behavior of the nonlinear materials was piecewise linear. For each given 'stationary' crack size, the corresponding critical remote tensile stress was calculated based on the maximum crack-tip stress failure criterion. It was found that in the log-log plots of the critical remote stress versus critical crack length, the fracture data of the piecewise linear materials obey a 'stepwise-linear-inverse-square-root' fracture law. It is also shown how the fracture data of the piecewise linear materials can be fitted by proper piecewise graphical shifting of the classical 'inverse-square-root' fracture curve for the linearly elastic materials.

Ko, W. L.↗
DOE OSTI2023

Initial Fracture Propagation Modeling of Graphite Components with Grizzly

Graphite has historically been extensively used in power reactor cores and will be used in multiple types of advanced reactors currently under development. These graphite structural components can experience significant stresses due to nonuniform volumetric strains induced by irradiation and thermal expansion, which can lead to fracture. Robust tools for predicting fracture initiation and propagation in graphite structural components in nuclear reactors are important for evaluating component integrity, developing design standards, and interpreting experimental results to characterize graphite performance. The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program has been developing degradation models for other structural components in nuclear reactors within the Grizzly and BlackBear codes. This report documents an effort to develop initial capabilities for modeling graphite fracture within these codes, building on prior efforts to model fracture in other materials. Major elements of this effort include developing a new system for modeling fracture nucleation and growth in two dimensions using the extended finite element method and incorporating a damage and plasticity model. These capabilities are applied here to model a representative graphite component and a splitting disc experiment used to obtain tensile strength.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Micro–macro finite element modeling method for rub response in abradable coating materials

Gas turbine engines experience “rub” when the rotating blades come in contact with a static abradable coating. This results in extreme strain rates and dynamics inside a high-temperature/high-pressure environment. Current rub models are phenomenological and do not reflect the underlying microstructures, thus limiting their prediction accuracy. In this work, a microstructure-informed, reduced order modeling framework is introduced for simulating abradable coating “rub" behavior. This framework comprises a microscale model constructed based on digitized abradable microstructure and explicitly simulates the mechanical behavior of each constituent phases and their interactions. After calibration and validation with experiment data, the calibrated microscale model is used to generate data across a vast range of applied strain rates and temperature with various load paths. Then, the virtually generated data are used to fit the macroscopic-reduced order model, which enables fast component scale rub simulation without compromising the integrity of the complex material behavior. In conclusion, the proposed effort will address the technical challenge of predicting abradable material behavior during rub through the application of multiscale modeling from microstructure to engines behavior, effectively reducing the development costs and time of new abradable material for better “rub” properties.

36 MATERIALS SCIENCE↗