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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Ellipsometric study of metal-organic chemically vapor deposited III-V semiconductor structures

An ellipsometric study of MOCVD-grown layers of AlGaAs and InGaAs in thick films and strained layer complex structures is presented. It is concluded that the ternary composition of thick nonstrained layers can be accurately determined to within experimental errors using numerical algorithms. In the case of complex structures, thickness of all layers and the alloy composition of nonstrained layers can be determined simultaneously, provided that the correlations between parameters is no higher than 0.9.

Alterovitz, Samuel A.↗
DOE OSTI2020

Electron Microscopic Examination of an Irradiated TRISO Coated Particle of AGR-2 Experiment: AGR2-222-RS019

The transmission electron microscopic (TEM) examination of an irradiated tristructural isotropic (TRISO) coated particle from advanced gas reactor (AGR) 2 fuel Compact 2-2-2 is presented in this report. Compact 2-2-2 refers to the compact in Capsule 2 at Level 2 of Stack 2. The examination on AGR2 222 RS019 is focused on the interface between the silicon carbide (SiC) to inner pyrolytic carbon (IPyC) layer, central part of SiC, and the interface between SiC and outer pyrolytic carbon layer. The SiC grain boundary distribution and associated fission product precipitates were characterized by scanning transmission electron microscopy (STEM) energy dispersive spectroscopy (EDS), and precession electron diffraction (PED) in the transmission electron microscope. Two separate locations on SiC layer were selected for on the basis of the intact of the buffer layer in the irradiated TRISO particle. The key observation in this particle is that the compositional nature of grain boundary precipitates is more complex near IPyC/SiC layer where Pd, Pd-Ag, Pd-U containing precipitates can be observed. However, the compositions of precipitate towards outer most region of SiC mainly contain Pd. Ag has been observed in the IPyC/SiC layer in one of the two locations. Comparison of the results to previously irradiated and analyzed, Variant 3, safety tested AGR-1 TRISO particles (AGR1-433-001 and AGR1 222-RS004) showed the grain boundary distributions have some noticeable differences. The differences in coincident site lattice grain boundary and misorientation angles are possibly inherent to the fabrication process. Neutron irradiation induced void distribution has been found to be nonuniform. A high concentration of smaller voids is found at stacking faults compared to those in the SiC matrix. Larger void sizes are observed in the SiC location that is near to the broken buffer layer. This void size variation with integrity of buffer layer can potentially affect the fission product retention. However, the average void size continuously decreases along the radius of SiC in both locations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1991

Micromechanics for ceramic matrix composites

The fiber substructuring concepts and the micromechanics equations that are embedded in the Ceramic Matrix Composite Analyzer (CEMCAN) computer code are described as well as the code itself, its current features and capabilities, and some examples to demonstrate the code's versatility. The methodology is equally applicable to metal matrix and polymer matrix composites. The prediction of ply mechanical and thermal properties agree very well with the existing models in the Integrated Composite Analyzer and the Ceramic Matrix Composite Analyzer, lending credence to the fiber substructuring approach. Fiber substructuring can capture greater local detail than conventional unit-cell-based micromechanical theories. It offers promise in simulating complex aspects of micromechanics in ceramic matrix composites.

Murthy, P. L. N.↗
NASA NTRS2001

Fabrication and Characterization of SMA Hybrid Composites

Results from an effort to fabrication shape memory alloy hybrid composite (SMAHC) test specimens and characterize the material system are presented in this study. The SMAHC specimens are conventional composite structures with an embedded SMA constituent. The fabrication and characterization work was undertaken to better understand the mechanics of the material system, address fabrication issues cited in the literature, and provide specimens for experimental validation of a recently developed thermomechanical model for SMAHC structures. Processes and hardware developed for fabrication of the SMAHC specimens are described. Fabrication of a SMA14C laminate with quasi-isotropic lamination and ribbon-type Nitinol actuators embedded in the 0' layers is presented. Beam specimens are machined from the laminate and are the focus of recent work, but the processes and hardware are readily extensible to more practical structures. Results of thermomechanical property testing on the composite matrix and Nitinol ribbon are presented. Test results from the Nitinol include stress-strain behavior, modulus versus temperature. and constrained recovery stress versus temperature and thermal cycle. Complex thermomechanical behaviors of the Nitinol and composite matrix are demonstrated, which have significant implications for modeling of SMAHC structures.

Turner, Travis L.↗
DOE OSTI2021

Amidinate Supporting Ligands Influence Molecularity in Formation of Uranium Nitrides

Uranium nitride complexes are attractive targets for chemists as molecular models for the bonding, reactivity, and magnetic properties of next-generation nuclear fuels, but these molecules are uncommon and can be difficult to isolate due to their high reactivity. Here, we describe the synthesis of three new multinuclear uranium nitride complexes, [U(BCMA) 2 ] 2 (μ-N)(μ-κ 1 :κ 1 -BCMA) (7), [(U(BIMA) 2 ) 2 (μ-N)(μ-N i Pr)(K 2 (μ-η 3 :η 3 -CH 2 CHN i Pr)] 2 (8), and [U(BIMA) 2 ] 2 (μ-N)(μ-κ 1 :κ 1 -BIMA) (9) (BCMA = N,N-bis(cyclohexyl)methylamidinate, BIMA = N,N-bis(iso-propyl)methylamidinate), from U(III) and U(IV) amidinate precursors. By varying the amidinate ligand substituents and azide source, we were able to influence the composition and size of these nitride complexes. 15 N isotopic labeling experiments confirmed the bridging nitride moieties in 7–9 were formed via two-electron reduction of azide. The tetra-uranium cluster 8 was isolated in 99% yield via reductive cleavage of the amidinate ligands; this unusual molecule contains nitrogen-based ligands with formal 1–, 2–, and 3– charges. Additionally, chemical oxidation of the U(IV) precursor U(N 3 )(BCMA) 3 yielded the cationic U(V) species [U(N 3 )(BCMA) 3 ][OTf]. Magnetic susceptibility measurements confirmed a U(IV) oxidation state for the uranium centers in the three nitride-bridged complexes and provided a comparison of magnetic behavior in the structurally related U(III)-U(IV)-U(V) series U(BCMA) 3 , U(N 3 )(BCMA) 3 , and [U(N 3 )(BCMA) 3 ][OTf]. At 240 K, the magnetic moments in this series decreased with increasing oxidation state, i.e., U(III) > U(IV) > U(V); this trend follows the decreasing number of 5f valence electrons along this series.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2019

Active Mixing of Reactive Materials for 3D Printing

The mixing of materials during additive manufacturing is a major benefit which allows one to compositionally and spatially tailor material properties, for example to locally control the reactivity in fuel–oxidizer systems known as thermites. This work characterizes an active mixing printhead used in conjunction with a 3D printing process known as Direct Ink Writing. Besides compositional control, a major benefit of this approach is that it offers a safe method for working with these materials, which can otherwise be hazardous once mixed. Custom fuel and oxidizer inks are fed at fixed volumetric rates into an active mixing printhead, and both the rotational speed of the mixing impeller as well as the fuel–oxidizer ratio are varied. Upon ignition, the propagation speed increases with the rotational speed of the mixer and plateaus above a critical value of ≈750 rpm. The critical mixing speed is corroborated by computational fluid simulations and an analytical expression that considers the inks’ complex fluid behavior. Additionally, varying the composition results in a wide range of propagation speeds with peak reactivity corresponding to a fuel–rich formulation ( Φ = 1.5). As a result, a test article incorporating a fast– and slow–burning region demonstrates how spatial composition can manipulate the reactivity.

3D printing↗
DOE OSTI2021

A single column separation method for barium isotope analysis of geologic and hydrologic materials with complex matrices

Abstract The increasing significance of barium (Ba) in environmental and geologic research in recent years has led to interest in the application of the Ba isotopic composition as a tracer for natural materials with complex matrices. Most Ba isotope measurement techniques require separation of Ba from the rest of sample prior to analysis. This paper presents a method using readily available materials and disposable columns that effectively separates Ba from a range of geologic and hydrologic materials, including carbonate minerals, silicate rocks, barite, river water, and fluids with high total dissolved solids and organic content such as oil and gas brines, rapidly and without need for an additional cleanup column. The technique involves off-the-shelf columns and cation exchange resin and a two-reagent elution that uses 2.5 N HCl followed by addition of 2.0 N HNO 3 . We present data to show that major matrix elements from almost any natural material are separated from Ba in a single column pass, and that the method also effectively reduces or eliminates isobaric interferences from lanthanum and cerium.

Matecha, R. M.↗
DOE OSTI2019

Azeotropic isotopologues

Isotopologues are molecular species differing only in their stable isotope composition. For example, the isotopologues of water include HOH , DOD , and HOD . The possibility of reactive azeotropy among isotopologues of the same molecule is explored within the ideal gas/ideal solution assumption. The chemical equilibrium enabling azeotropy may involve isotope exchange reactions or may involve more complicated dissociation/solvation chemistry. Azeotropy among isotopologues appears possible in the presence of isotope exchange reactions and with simple dissociation or combination reactions. However, for such chemical reactions, the isotope fractionation factors must be unity, that is, isotope ratios are identical in the vapor and liquid phases. This is not consistent with experimental observations that isotope fractionation factors can differ from unity at an azeotrope. More complex solvation chemistry, wherein the isotopic composition in the solvation shell differs slightly from that of the bulk solvent, can lead to an azeotrope for which the isotope fractionation factor is not unity. Possible azeotropy among the isotopologues of water is then considered. Experiments to directly quantify water isotopologue compositions at the elevated temperatures and pressures anticipated for azeotropy are described. Furthermore the paper concludes with a discussion of the potential impact of azotropic isotopologues on the azeotropic extraction and isotopic analysis of soil water and on the interpretation of isotopic signatures in geological and cosmological samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Additive manufacturing of LiNi 1/3 Mn 1/3 Co 1/3 O 2 battery electrode material via vat photopolymerization precursor approach

Additive manufacturing, also called 3D printing, has the potential to enable the development of flexible, wearable and customizable batteries of any shape, maximizing energy storage while also reducing dead-weight and volume. In this work, for the first time, three-dimensional complex electrode structures of high-energy density LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC 111) material are developed by means of a vat photopolymerization (VPP) process combined with an innovative precursor approach. This innovative approach involves the solubilization of metal precursor salts into a UV-photopolymerizable resin, so that detrimental light scattering and increased viscosity are minimized, followed by the in-situ synthesis of NMC 111 during thermal post-processing of the printed item. The absence of solid particles within the initial resin allows the production of smaller printed features that are crucial for 3D battery design. The formulation of the UV-photopolymerizable composite resin and 3D printing of complex structures, followed by an optimization of the thermal post-processing yielding NMC 111 is thoroughly described in this study. Based on these results, this work addresses one of the key aspects for 3D printed batteries via a precursor approach: the need for a compromise between electrochemical and mechanical performance in order to obtain fully functional 3D printed electrodes. In addition, it discusses the gaps that limit the multi-material 3D printing of batteries via the VPP process.

25 ENERGY STORAGE↗
DOE OSTI2023

Chemical Signatures of Seasonally Unique Anthropogenic Influences on Organic Aerosol Composition in the Central Amazon

Urbanization and fires perturb the quantities and composition of fine organic aerosol in the central Amazon, with ramifications for radiative forcing and public health. These disturbances include not only direct emissions of particulates and secondary organic aerosol (SOA) precursors, but also changes in the pathways through which biogenic precursors form SOA. The composition of ambient organic aerosol is complex and incompletely characterized, encompassing millions of potential structures relatively few of which have been synthesized and characterized. Through analysis of submicron aerosol samples from the Green Ocean Amazon (GoAmazon2014/5) field campaign by two-dimensional gas chromatography coupled with machine learning, ~1300 unique compounds were traced and characterized over two seasons. Fires and urban emissions produced chemically and interseasonally distinct impacts on product signatures, with only ~50% of compounds observed in both seasons. Seasonally unique populations point to the importance of aqueous processing in Amazonian aerosol ageing, but further mechanistic insights are impeded by limited product identity knowledge. Further, less than 10% of compounds were identifiable at an isomer-specific level. Overall, the findings (i) provide compositional characterization of anthropogenic influence on submicron organic aerosol in the Amazon, (ii) identify key season-to-season differences in chemical signatures, and (iii) highlight high-priority knowledge gaps in current speciated knowledge.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

Experimental Investigation of Textile Composite Materials Using Moire Interferometry

The viability as an efficient aircraft material of advanced textile composites is currently being addressed in the NASA Advanced Composites Technology (ACT) Program. One of the expected milestones of the program is to develop standard test methods for these complex material systems. Current test methods for laminated composites may not be optimum for textile composites, since the architecture of the textile induces nonuniform deformation characteristics on the scale of the smallest repeating unit of the architecture. The smallest repeating unit, also called the unit cell, is often larger than the strain gages used for testing of tape composites. As a result, extending laminated composite test practices to textiles can often lead to pronounced scatter in material property measurements. It has been speculated that the fiber architectures produce significant surface strain nonuniformities, however, the magnitudes were not well understood. Moire interferometry, characterized by full-field information, high displacement sensitivity, and high spatial resolution, is well suited to document the surface strain on textile composites. Studies at the NASA Langley Research Center on a variety of textile architectures including 2-D braids and 3-D weaves, has evidenced the merits of using moire interferometry to guide in test method development for textile composites. Moire was used to support tensile testing by validating instrumentation practices and documenting damage mechanisms. It was used to validate shear test methods by mapping the full-field deformation of shear specimens. Moire was used to validate open hole tension experiments to determine the strain concentration and compare then to numeric predictions. It was used for through-the-thickness tensile strength test method development, to verify capabilities for testing of both 2-D and 3-D material systems. For all of these examples, moire interferometry provided vision so that test methods could be developed with less speculation and more documentation.

Ifju, Peter G.↗
DOE OSTI2024

Thermodynamic control on the decomposition of organic matter across different electron acceptors

The increasing availability of high-resolution characterization of natural organic matter (OM) data has shifted the paradigm of lumped descriptions of OM components and potential microbial activities. Our recent development of a substrate-explicit thermodynamic model uniquely enables incorporating complex OM pools to formulate biogeochemical reaction models based on their elemental compositions. While this previous work facilitates prediction of aerobic respiration of complex OM, it is equally imperative to consider the role of non-oxygenic electron acceptors in regulating OM turnover and the fate of carbon. In this study, we significantly expand our previous model by flexibly incorporating both detailed OM chemistry and electron acceptors other than oxygen. Here, our modeling analysis has revealed substantial variations in the energy status of OM molecules across different soils, which drive the co-occurrence of different electron-accepting processes. We demonstrated the effectiveness of the proposed model using a consistency check with experimental data. Through systematic evaluation of the impact of diverse chemical inputs (both electron donors and acceptors) on OM decomposition, the new model also revealed how key microbial growth parameters such as carbon use efficiency (CUE) and reaction rates vary across different electron-accepting processes. Our model provides a unified framework integrating thermodynamic and kinetic constraints on microbial metabolic activities. It complements traditional kinetic models, which are often designed solely to capture mass fluxes. We conclude that thermodynamic modeling emerges as a powerful tool for describing the mechanisms underlying the interplay between microbial growth and OM chemistry and cycling across different electron acceptors, enhancing our ability to project complex ecosystem behaviors in dynamic environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Protein Assembly by Design

Proteins are nature’s primary building blocks for the construction of sophisticated molecular machines and dynamic materials, ranging from protein complexes such as photosystem II and nitrogenase that drive biogeochemical cycles to cytoskeletal assemblies and muscle fibers for motion. Such natural systems have inspired extensive efforts in the rational design of artificial protein assemblies in the last two decades. As molecular building blocks, proteins are highly complex, in terms of both their three-dimensional structures and chemical compositions. To enable control over the self-assembly of such complex molecules, scientists have devised many creative strategies by combining tools and principles of experimental and computational biophysics, supramolecular chemistry, inorganic chemistry, materials science, and polymer chemistry, among others. Owing to these innovative strategies, what started as a purely structure-building exercise two decades ago has, in short order, led to artificial protein assemblies with unprecedented structures and functions and protein-based materials with unusual properties. Furthermore, our goal in this review is to give an overview of this exciting and highly interdisciplinary area of research, first outlining the design strategies and tools that have been devised for controlling protein self-assembly, then describing the diverse structures of artificial protein assemblies, and finally highlighting the emergent properties and functions of these assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Engineering transformation pathways in an Al 0.3 CoFeNi complex concentrated alloy leads to excellent strength–ductility combination

Guided by thermodynamic modeling, engineering phase transformation pathways via thermo-mechanical processing, in a complex concentrated alloy/high entropy alloy (HEA) of composition Al 0.3 CoFeNi, lead to a novel multi-scale microstructure consisting of fine-scale FCC + L1 2 grains mixed with B2 + BCC grains. The two-step pathway comprises initial decomposition of the parent single-phase FCC to form a fine-grained FCC + B2 microstructure, which further decomposes in the second step into the complex four-phase mixture, exhibiting an excellent combination of tensile yield stress of ~1490 MPa, ultimate tensile strength of ~1663 MPa, with a good ductility of ~12% at room temperature. This paper reports a novel multi-phase microstructure in a HEA/CCA similar to the microstructure observed in dual-phase stainless steel. This report exemplifies the novelty of HEA/CCA compositional space.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Mineral compositions in pristine lunar highland rocks and the diversity of highland magmatism

High precision electron microprobe analyses of olivine and pyroxene in pristine lunar highland rocks confirm the dichotomy between ferroan anorthosites and the Mg-suite. Ferroan-anorthosites plot as coherent trends, consistent with formation in a complex global magma system. Lack of coherent compositional trends in the Mg-suite rocks indicates derivation from numerous magmas.

Bersch, Michael G.↗
DOE OSTI2025

Macro-level mechanical interlocking: A rapid joining approach for additively manufactured compression molded composite panels

Composite joining typically involves multiple steps, such as drilling and surface treatment, as part of the manufacturing process, which leads to low throughput and long cycle times. In the present study, we demonstrated a macro-level mechanical interlocking (MI) based, rapid joining technique to assemble additively manufactured compression molded (AMCM) panels, enabling the production of parts larger than the mold dimensions. Composite panels made of 20 wt% short carbon fiber reinforced acrylonitrile butadiene styrene (CF/ABS) were joined using MI features of various geometries, namely tree (TR), dovetail (Dov), rectangle 2 (Rect2), and rectangle 1 (Rect1), and their in-plane strength was evaluated. The resultant strength of the tested MI joints reached up to 74 % of the baseline tensile strength (i.e., the ‘no joint’ case). Observations from optical and scanning electron microscopy revealed inadequate polymer diffusion between the adherends, indicating that the joint strength was primarily derived from mechanical interlocking. Additionally, the fracture surfaces exhibited stress-whitening marks, which were characterized using differential scanning calorimetry (DSC). The increase in melting enthalpy suggested local stretching of polymer chains due to MI. Finite element analysis (FEA) indicated that the Rect1 MI feature, which generated the lowest stress concentration, outperformed the others in terms of joint strength, achieving 42 MPa. As a demonstration of the MI joining method, a battery box tray measuring 108 cm × 34 cm using a mold with an effective dimension of 36 cm × 34 cm successfully manufactured, resulting in a part with an area three times larger than the mold. In conclusion, this study presents a promising approach to improving composite joining techniques while minimizing production complexities.

In-plane joining↗
NASA NTRS1981

Edge delamination in angle-ply composite laminates

Edge delamination has caused severe concern in the design and analysis of advanced composite materials and structures. Due to its complex nature, very limited knowledge for the problem is currently available. It involves not only geometric and material discontinuities but also inherently coupled mode I, II and III fracture in the layered anisotropic system. Based on complex-variable stress potentials in the anisotropic elasticity theory and eigenfunction expansion, exact orders of the crack-tip stress singularity and complete field solutions are obtained. Results are given for edge delaminated, angle-ply composites subjected to uniform axial extension for illustrative purposes. Effects of geometric, lamination, and crack variables are determined.

Wang, S. S.↗
NASA NTRS1982

Metal ion-containing epoxies

A variety of metallic and organometallic complexes to be used as potential additives for an epoxy used by the aerospace industry as a composite matrix resin were investigated. A total of 9 complexes were screened for compatibility and for their ability to accelerate or inhibit the cure of a highly crosslinkable epoxy resin. Methods for combining the metallic complexes with the resin were investigated, gel times recorded, and cure exotherms studied by differential scanning calorimetry. Glass transition temperatures of cured metal ion containing epoxy castings were determined by thermomechanical analysis. Thermal stabilities of the castings were determined by thermogravimetric analysis. Mechanical strength and stiffness of these doped epoxies were also measured.

Stoakley, D. M.↗