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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Liquid jet breakup and atomization in rocket chambers under dense spray conditions

Two advanced diagnostic techniques were established and employed in this project. The first technique involves the use of a real-time x ray radiography system along with a high-speed CCD Xybion camera and an advanced digital image processor to investigate the breakup processes of the liquid core. The focus of this part of the project is to determine the inner structure of the liquid jet and via thin sheets of laser light, with the scatters light being photographed by a Xybion electronic camera synchronized to the laser pulse. This technique, which is capable of recording the breakup event occurring within 25 nano-seconds, enables us to freeze the motions of the jet and liquid droplets. The focus of this part of the project is to determine the outer structure of the liquid jet and to discover the configuration of the surface waves, the spray pattern, and the droplet size distribution in the non-dilute region. Results obtained by these two advanced diagnostic techniques will provide the much needed database for model development and accurate prediction of engine performance. The present work also represents a breakthrough in the area of advanced diagnostics of dense sprays.

Kuo, Kenneth K.↗
NASA NTRS1979

A method of mapping compact structure in radio sources using VLBI observations

A two-part technique is described for determining the angular structure of the compact components of radio sources from VLBI observations. With this technique, the source structure is first approximated, using both amplitudes and closure phases, by a model consisting of circularly symmetric Gaussian components located on a grid of positions on the sky. The second part begins by employing this model to predict the visibility phase corresponding to each observed visibility amplitude; these estimated visibility phases are then adjusted to agree with the observed closure phases. The resulting estimates of the visibility phases and the observed visibility amplitudes are then combined in a direct Fourier transform to produce a 'dirty' source map that is deconvolved via the CLEAN procedure on the basis of the point-source response. Some examples based on data generated from test models are provided.

Cotton, W. D.↗
NASA NTRS2019

Deep Mapping of Small Solar System Bodies with Galactic Cosmic Ray Secondary Particle Showers

We will investigate the use of galactic cosmic ray (GCR) secondary particles to probe the deep interiors of small solar system bodies (SSBs), including comets, asteroids, and geologic structures on the surfaces of airless bodies. Applications include solar system science, planetary defense, and resource utilization. Our Phase I study demonstrated that muons, the long-range charged component of GCR showers, can penetrate SSBs up to a km in diameter, providing information on their interior structure. Muons produced in Earth’s atmosphere have been applied to image the interior of large objects for science and engineering. In Phase I, we found that the production of muons in the solid surfaces of airless bodies is much smaller than in Earth’s atmosphere. Nevertheless, the flux of transmitted muons is sufficient to detect inclusions within an asteroid or comet in a reasonable amount of time, ranging from hours to weeks, depending on the size of the SSB and the density contrast, position and size of the inclusion. For asteroids and comets, large density variations (e.g., porous soil or ice versus solid rock) are relatively easy to detect. The intrinsic spatial resolution of muon radiography (“muography”) is on the scale of a few meters. The spatial resolution that can be achieved in practice depends on signal intensity and integration time (counting statistics), the angular resolution of the muon tracker (hodoscope) and details of data reduction and analysis methodology. Our Phase II project will assess remaining unknowns for the application of muography to determining the interior structure of SSBs, assess risks for implementation, and provide a roadmap for development of SSB muography beyond the NIAC program. To achieve our objectives, we will focus on four interrelated tasks: Task1) Signal and background characterization: Characterize the production and transmission of muons and secondary particle backgrounds made by cosmic ray showers in SSBs; and near-surface features from radiographic and tomographic data; Task2) Imaging studies: Develop methods to determine the density structure of SSB interiors and near-surface features from radiographic and tomographic data; Task3) Instrument design: Using simulations and bench-top laboratory experiments, investigate specific concepts for the design of compact hodoscopes and components; Task4) Synthesis: Combine the results of the first three tasks to determine the range of applicability of the method, identify the steps needed for maturation of the concept, and explore concepts for a pilot muography mission.

Prettyman, Thomas H.↗
DOE OSTI2025

N-terminal domain swapping: A new paradigm for spermidine/spermine N -acetyltransferase (SSAT) protein structures?

Enterococcus faecalis is a multi-drug-resistant human pathogen that is found in a variety of environments and is challenging to treat. Under stress conditions, some bacteria regulate intracellular polyamine concentrations via polyamine acetyltransferases to reduce their toxicity. The E. faecalis genome encodes two polyamine acetyltransferases: PmvE and BltD. Both of these proteins belong to the Gcn5-related N-acetyltransferase (GNAT) superfamily. It is unclear why there are two enzymes with similar substrate specificities in this organism. To better understand the structure/function relationship of the E. faecalis BltD enzyme, we determined its crystal structure and performed additional assays to explore its oligomeric state and enzymatic activity. The goal was to determine whether there were structural or catalytic differences between this enzyme and other polyamine acetyltransferases that could explain this redundancy and be exploited for future development of targeted inhibitors for this important human pathogen. We found the BltD enzyme was structurally unique due to its N-terminal domain swapped dimer. However, this enzyme adopts a catalytically active monomer rather than dimer in solution. This indicates the crystal structure we obtained may represent a state that forms at high protein and salt concentrations and at low pH used during crystallization. The BltD dimer found in the crystal may represent a unique view of how an inhibitory peptide or molecule could be designed to occupy its active site. Additionally, this structure shows the extensive flexibility of the N-terminal portion of the E. faecalis BltD enzyme.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Design for Inspection: A Formalized Approach to Evaluating the Inspectability of Aerospace Structures Early in the Design Process

NDE engineers are often confronted with structural design choices that present challenges to meeting inspection requirements. These challenges at best increase the resources needed to design an inspection solution and, at worst, require resource intensive redesign of the structure. If the inspectability of structure can be determined early in the design cycle, these challenging inspection scenarios can be avoided. Therefore, there exists a need for a resource friendly formalized approach to gauge the inspectability of a structure. This paper proposes the use of a novel inspectability metric to meet this need. The inspectability metric is a standardized, automation friendly procedure that uses simulations to determine inspectability. It provides a suite of simulation tests to interrogate the ability to find defects and the sensitivity to variability. The testing rubric is designed to maximize the coverage of the parameter space while minimizing the number of simulations needed. In this preliminary study, we will demonstrate how the inspectability metric is able to determine the inspectability of a structure as a function of changes in the structure’s design.

Peter Juarez↗
DOE OSTI2023

Chitosan as a Canvas for Studies of Macromolecular Controls on CaCO 3 Biological Crystallization

A mechanistic understanding of how macromolecules, typically as an organic matrix, nucleate and grow crystals to produce functional biomineral structures remains elusive. Advances in structural biology indicate that polysaccharides (e.g., chitin) and negatively charged proteoglycans (due to carboxyl, sulfate, and phosphate groups) are ubiquitous in biocrystallization settings and play greater roles than currently recognized. This review highlights studies of CaCO 3 crystallization onto chitinous materials and demonstrates that a broader understanding of macromolecular controls on mineralization has not emerged. With recent advances in biopolymer chemistry, it is now possible to prepare chitosan-based hydrogels with tailored functional group compositions. By deploying these characterized compounds in hypothesis-based studies of nucleation rate, quantitative relationships between energy barrier to crystallization, macromolecule composition, and solvent structuring can be determined. Finally, this foundational knowledge will help researchers understand composition-structure-function controls on mineralization in living systems and tune the designs of new materials for advanced applications.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Mutation-driven RRE stem-loop II conformational change induces HIV-1 nuclear export dysfunction

Abstract The Rev response element (RRE) forms an oligomeric complex with the viral protein Rev to facilitate the nuclear export of intron-retaining viral RNAs during the late phase of HIV-1 (human immunodeficiency virus type 1) infection. However, the structures and mechanisms underlying this process remain largely unknown. Here, we determined the crystal structure of the HIV-1 RRE stem-loop II (SLII), revealing a unique three-way junction architecture in which the base stem (IIa) bifurcates into the stem-loops (IIb and IIc) to compose Rev binding sites. The crystal structures of various SLII mutants demonstrated that while some mutants retain the same “compact” fold as the wild type, other single-nucleotide mutants induce drastic conformational changes, forming an “extended” SLII structure. Through in vitro Rev binding assays and Rev activity measurements in HIV-1-infected cells using structure-guided SLII mutants designed to favor specific conformers, we showed that while the compact fold represents a functional SLII, the alternative extended conformation inhibits Rev binding and oligomerization and consequently stimulates HIV-1 RNA nuclear export dysfunction. The propensity of SLII to adopt multiple conformations as captured in crystal structures and their influence on Rev oligomerization illuminate emerging perspectives on RRE structural plasticity-based regulation of HIV-1 nuclear export and provide opportunities for developing anti-HIV drugs targeting specific RRE conformations.

Biochemistry & Molecular Biology↗
DOE OSTI2021

New experimental approach to understanding the chemical reactivity of oxide surfaces

Metal oxides have been an attractive option for a range of applications, including hydrogen sensors, microelectronics, and catalysis, due to their reactivity and tunability. The properties of metal oxides can vary greatly on their precise surface structure; however, few surface science techniques can achieve atomistic-level determinations of surface structure, and fewer yet can do so for insulator surfaces. Low energy ion beam analysis offers a potential insulator-compatible solution to characterizing the surface structure of metal oxides. As a feasibility study, we apply low energy ion beam analysis to investigate the surface structure of a magnetite single crystal, Fe 3 O 4 (100). We obtain multi-angle maps using both forward-scattering low energy ion scattering (LEIS) and backscattering impact-collision ion scattering spectroscopy (ICISS). Both sets of experimental maps have intensity patterns that reflect the symmetries of the Fe 3 O 4 (100) surface structure. However, analytical interpretation of these intensity patterns to extract details of the surface structure is significantly more complex than previous LEIS and ICISS structural studies of one-component metal crystals, which had far more symmetries to exploit. To gain further insight into the surface structure, we model our experimental measurements with ion-trajectory tracing simulations using molecular dynamics. Our simulations provide a qualitative indication that our experimental measurements agree better with a subsurface cation vacancy model than a distorted bulk model.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Coupled multi-disciplinary composites behavior simulation

The capabilities of the computer code CSTEM (Coupled Structural/Thermal/Electro-Magnetic Analysis) are discussed and demonstrated. CSTEM computationally simulates the coupled response of layered multi-material composite structures subjected to simultaneous thermal, structural, vibration, acoustic, and electromagnetic loads and includes the effect of aggressive environments. The composite material behavior and structural response is determined at its various inherent scales: constituents (fiber/matrix), ply, laminate, and structural component. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on various parameters such as temperature and moisture. The acoustic and electromagnetic properties also include dependence on vibration and electromagnetic wave frequencies, respectively. The simulation is based on a three dimensional finite element analysis in conjunction with composite mechanics and with structural tailoring codes, and with acoustic and electromagnetic analysis methods. An aircraft engine composite fan blade is selected as a typical structural component to demonstrate the CSTEM capabilities. Results of various coupled multi-disciplinary heat transfer, structural, vibration, acoustic, and electromagnetic analyses for temperature distribution, stress and displacement response, deformed shape, vibration frequencies, mode shapes, acoustic noise, and electromagnetic reflection from the fan blade are discussed for their coupled effects in hot and humid environments. Collectively, these results demonstrate the effectiveness of the CSTEM code in capturing the coupled effects on the various responses of composite structures subjected to simultaneous multiple real-life loads.

Singhal, Surendra N.↗
NASA NTRS1996

Electronic Structure of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta)

The core levels of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin tin orbital band structure method and measured with XPS.

Epitaxial films van Hove Fermi level↗
DOE OSTI2022

From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials

Microscopes utilizing convergent electron and ion beams are emerging as powerful tools for both imaging and manipulating two-dimensional materials with atomic resolution, allowing the ultimate limits of nanofabrication to be realized. In this chapter, we detail the use of time-dependent electronic structure theory to determine the excited state properties and reactivity of functionalized graphene nanostructures. A time-dependent density functional theory treatment of electronic excitations of materials is presented, with specific emphasis on predicting the position-dependent electronic response of two-dimensional nanomaterials to electron beams. The method is demonstrated in a study highlighting the important role that electronic excitation can play in opening reaction pathways relevant to atomically precise defect manipulation in graphene. Finally, we provide some perspective on future development directions for methods of simulating nonequilibrium electronic and vibrational dynamics induced by electron/ion beams.

Lingerfelt, David↗
DOE OSTI2022

Exploring superconductivity at the edge of magnetic or structural instabilities

Modern research of condensed matters devotes in understanding how properties of complex solids are determined by their structural and electronic degrees of freedom. In the last decade, the discovery of Fe-based high-temperature superconductors as well as the discovery of protected surface state in bulk materials arising from the non-trivial topological electronic structures have brought revolutionary breakthroughs, advancing our understanding of the interplay of structure, band topology, spin and charge degrees of freedom to a new level. Despite the exciting progresses, significant materials challenges remain. To address such challenges, our research funded by this award focuses on the design, synthesis and property characterization of two types of quantum materials. One is quasi-two-dimensional materials with structural/magnetic instability, the other is topological materials, especially the “ideal” ones where only minimum non-trivial bands exist at the Fermi level. The objective of our research is to design quantum materials that lie at the edge of structural/magnetic instabilities as well as the ones with non-trivial band topology, aiming at the discovery of quantum materials with emergent phenomena and the in-depth understanding of the entanglement of band topology and various degrees of freedoms through thermodynamic, transport, X-ray, and neutron measurements.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Utilization survey of prototype structural test article

A survey was conducted of six aerospace companies and two NASA agencies to determine how prototype structural test articles are used in flight operations. The prototype structures are airframes and similar devices which are used for testing and generally are not flown. The survey indicated the following: (1) prototype test articles are not being discarded after development testing is complete, but are used for other purposes, (2) only two cases of prototypes being refurbished and flown were identified, (3) protective devices and inspection techniques are available to prevent or minimize test article damage, (4) substitute programs from design verification are availabel in lieu of using prototype structural articles, and (5) there is a trend away from dedicated test articles. Four options based on these study results were identified to reduce test and hardware costs without compromising reliability of the flight program.

Baber, S.↗
DOE OSTI2021

Application of saturation absorption spectroscopy to study the hyperfine structure of 235U and accurate 235U/238U isotope ratio determinations at 861.031 nm

The uranium transition 5f 3 6d7s 2 ( 5 L 6 ) → 5f 3 7s 2 7p ( 5 K 5 ) at 861.031 nm was studied using saturation absorption spectroscopy. The hyperfine structure of the 235 U isotope was determined by measuring the Doppler-suppressed absorption spectrum, and the hyperfine structure constants were obtained by employing transition-specific line strength theory and spectral fitting. The magnetic-dipole and electric-quadrupole constants were determined to be A = -3.2887 ± 0.1957 mK and B = 31.8712 ± 8.0789 mK for the upper state 5f 3 7s 2 7p ( 5 K 5 ). A theoretical calculation for the hyperfine structure constants of the 235 U isotope was also carried out by the relativistic configuration-interaction (RCI) method, and the obtained values were found to be in agreement with the measured values. In addition, the line profile of 238 U was experimentally investigated for different excitation intensities and modeled using the RCI method for estimating the transition probability and oscillator strength, with various residual broadening mechanisms considered beyond the radiative decay. Finally, we show that these results allow us to make improvements on the precision of spectral measurements using our previously developed technique for isotope ratio determinations in atomic beams.

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

Potential-pH diagrams considering complex oxide solution phases for understanding aqueous corrosion of multi-principal element alloys

The potential-pH diagram, a graphical representation of the thermodynamically predominant reaction products in aqueous corrosion, is originally proposed for the corrosion of pure metals. The original approach only leads to stoichiometric oxides and hydroxides as the oxidation products. However, numerous experiments show that non-stoichiometric oxide scales are prevalent in the aqueous corrosion of alloys. In the present study, a room temperature potential-pH diagram considering oxide solid solutions, as a generalization of the traditional potential-pH diagram with stoichiometric oxides, is constructed for an FCC single-phase multi-principal element alloy (MPEA) based on the CALculation of PHAse Diagram method. The predominant reaction products, the ions in aqueous solution, and the cation distribution in oxides are predicted. The oxide solid solution is stabilized by the mixing free energy (or mixing entropy) and the stabilizing effect becomes more significant as the temperature increases. Consequently, solid solution oxides are stable in large regions of the potential-pH diagram and the mixing free energy mostly affects the equilibrium composition of the stable oxides, while the shape of stable regions for oxides is mostly determined by the structure of the stable oxides. Agreements are found for Ni 2+ , Fe 2+ , and Mn 2+ between the atomic emission spectroelectrochemistry measurements and thermodynamic calculations, while deviations exist for Cr 3+ and Co 2+ possibly due to surface complexation with species such as Cl - and the oxide dissolution. By incorporating the solution models of oxides, the current work presents a general and more accurate way to analyze the reaction products during aqueous corrosion of MPEAs.

Materials Science↗