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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Low-Mass Inflation Systems for Inflatable Structures

The use of inflatable space structures has often been proposed for aerospace and planetary applications. Communication, power generation, and very-long-baseline interferometry are just three potential applications of inflatable technology. The success of inflatable structures depends on the development of an applications of inflatable technology. This paper describes two design studies performed to develop a low mass inflation system. The first study takes advantage of existing onboard propulsion gases to reduce the overall system mass. The second study assumes that there is no onboard propulsion system. Both studies employ advanced components developed for the Pluto fast flyby spacecraft to further reduce mass. The study examined four different types of systems: hydrazine, nitrogen and water, nitrogen, and xenon. This study shows that all of these systems can be built for a small space structure with masses lower than 0.5 kilograms.

Thunnissen, Daniel P.↗
DOE OSTI2022

Creep behavior of an additively manufactured 9Cr steel in the as-built condition

Limited studies have evaluated the creep behavior of additively manufactured (AM) ferritic-martensitic (FM) steels. This work investigated the creep behavior of a 9Cr FM steel fabricated by powder blown directed energy deposition (DED) technique. Here, the creep testing at 550–650 °C and 150 MPa for the specimens along the deposition direction in the as-built condition, together with corresponding microstructural characterization, revealed a threshold temperature between 600 and 625 °C, below which the steel has creep resistance comparable with Grade 91 cross-welds and noticeably greater than 9Cr-1Mo steel. The threshold temperature distinguishes the creep behavior in two regimes differentiated in creep activation energy, creep deformation, and failure mechanism. Unlike the creep rupture surface ~45° from the loading direction when tested above the threshold temperature, the creep rupture for testing below the threshold temperature resembles type IV failure in the cross-welds of ferritic steels. The DED-induced layer structure in the as-built steel played a significant role on the change of creep behavior.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Thermal Cycling of Mir Cooperative Solar Array (MCSA) Test Panels

The Mir Cooperative Solar Array (MCSA) project was a joint US/Russian effort to build a photovoltaic (PV) solar array and deliver it to the Russian space station Mir. The MCSA is currently being used to increase the electrical power on Mir and provide PV array performance data in support of Phase 1 of the International Space Station (ISS), which will use arrays based on the same solar cells used in the MCSA. The US supplied the photovoltaic power modules (PPMs) and provided technical and programmatic oversight while Russia provided the array support structures and deployment mechanism and built and tested the array. In order to ensure that there would be no problems with the interface between US and Russian hardware, an accelerated thermal life cycle test was performed at NASA Lewis Research Center on two representative samples of the MCSA. Over an eight-month period (August 1994 - March 1995), two 15-cell MCSA solar array 'mini' panel test articles were simultaneously put through 24,000 thermal cycles (+80 C to -100 C), equivalent to four years on-orbit. The test objectives, facility, procedure and results are described in this paper. Post-test inspection and evaluation revealed no significant degradation in the structural integrity of the test articles and no electrical degradation, not including one cell damaged early as an artifact of the test and removed from consideration. The interesting nature of the performance degradation caused by this one cell, which only occurred at elevated temperatures, is discussed. As a result of this test, changes were made to improve some aspects of the solar cell coupon-to-support frame interface on the flight unit. It was concluded from the results that the integration of the US solar cell modules with the Russian support structure would be able to withstand at least 24,000 thermal cycles (4 years on-orbit).

Hoffman, David J.↗
DOE OSTI2019

Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine

Cysteine dioxygenase (CDO) is a nonheme iron enzyme that adds two oxygen atoms from dioxygen to the sulfur atom of L -cysteine. Adjacent to the iron site of mammalian CDO, there is a post-translationally generated Cys-Tyr cofactor, whose presence substantially enhances the oxygenase activity. The formation of the Cys-Tyr cofactor in CDO is an autocatalytic process, and it is challenging to study by traditional techniques because the cross-linking reaction is a side, uncoupled, single-turnover oxidation buried among multiple turnovers of L -cysteine oxygenation. Here, we take advantage of our recent success in obtaining a purely uncross-linked human CDO due to site-specific incorporation of 3,5-difluoro- L -tyrosine (F 2 -Tyr) at the cross-linking site through the genetic code expansion strategy. Using EPR spectroscopy, we show that nitric oxide ( • NO), an oxygen surrogate, similarly binds to uncross-linked F 2 -Tyr157 CDO as in wild-type human CDO. Additionally, we determined X-ray crystal structures of uncross-linked F 2 -Tyr157 CDO and mature wild-type CDO in complex with both L -cysteine and • NO. These structural data reveal that the active site cysteine (Cys93 in the human enzyme), rather than the generally expected tyrosine (i.e., Tyr157), is well-aligned to be oxidized should the normal oxidation reaction uncouple. This structure-based understanding is further supported by a computational study with models built on the uncross-linked ternary complex structure. Together, these results strongly suggest that the first target to oxidize during the iron-assisted Cys-Tyr cofactor biogenesis is Cys93. Based on these data, a plausible reaction mechanism implementing a cysteine radical involved in the cross-link formation is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Environmental test report for the WX-32335 SEC camera tube

The environmental testing activity on the WX-32335 was carried out to determine if this tube type could withstand the environmental requirements established for the International Ultraviolet Explorer (IUE) camera tube (WX-32224). The results of the tests led to the following conclusions: (1) The WX-32335 as processed with a CsTe photocathode surface can withstand the temperature extremes established for the IUE camera tube without damage to the photocathode surface or without introducing background signal in the tube after one hour of dark integration. (2) The WX-32335 built with a WX-32224 type target support structure can withstand the sinusoidal vibration requirements established for the IUE camera tube. (3) Although the vibration test of the WX-32335 type tubes built with the flat target ring structure could not be completed, there was no indication that these tubes could not withstand the sinusoidal vibration requirements established for the IUE camera tube.

Malanoski, R. J.↗
DOE OSTI2014

Solid state {sup 1}H spin-lattice relaxation and isolated-molecule and cluster electronic structure calculations in organic molecular solids: The relationship between structure and methyl group and t-butyl group rotation

We report ab initio density functional theory electronic structure calculations of rotational barriers for t-butyl groups and their constituent methyl groups both in the isolated molecules and in central molecules in clusters built from the X-ray structure in four t-butyl aromatic compounds. The X-ray structures have been reported previously. We also report and interpret the temperature dependence of the solid state {sup 1}H nuclear magnetic resonance spin-lattice relaxation rate at 8.50, 22.5, and 53.0 MHz in one of the four compounds. Such experiments for the other three have been reported previously. We compare the computed barriers for methyl group and t-butyl group rotation in a central target molecule in the cluster with the activation energies determined from fitting the {sup 1}H NMR spin-lattice relaxation data. We formulate a dynamical model for the superposition of t-butyl group rotation and the rotation of the t-butyl group's constituent methyl groups. The four compounds are 2,7-di-t-butylpyrene, 1,4-di-t-butylbenzene, 2,6-di-t-butylnaphthalene, and 3-t-butylchrysene. We comment on the unusual ground state orientation of the t-butyl groups in the crystal of the pyrene and we comment on the unusually high rotational barrier of these t-butyl groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assembly and Analysis of Cell-Scale Membrane Envelopes

The march toward exascale computing will enable routine molecular simulation of larger and more complex systems, for example, simulation of entire viral particles, on the scale of approximately billions of atoms-a simulation size commensurate with a small bacterial cell. Anticipating the future hardware capabilities that will enable this type of research and paralleling advances in experimental structural biology, efforts are currently underway to develop software tools, procedures, and workflows for constructing cell-scale structures. Herein, we describe our efforts in developing and implementing an efficient and robust workflow for construction of cell-scale membrane envelopes and embedding membrane proteins into them. A new approach for construction of massive membrane structures that are stable during the simulations is built on implementing a subtractive assembly technique coupled with the development of a structure concatenation tool (fastmerge), which eliminates overlapping elements based on volumetric criteria rather than adding successive molecules to the simulation system. Using this approach, we have constructed two "protocells" consisting of MARTINI coarse-grained beads to represent cellular membranes, one the size of a cellular organelle and another the size of a small bacterial cell. The membrane envelopes constructed here remain whole during the molecular dynamics simulations performed and exhibit water flux only through specific proteins, demonstrating the success of our methodology in creating tight cell-like membrane compartments. Extended simulations of these cell-scale structures highlight the propensity for nonspecific interactions between adjacent membrane proteins leading to the formation of protein microclusters on the cell surface, an insight uniquely enabled by the scale of the simulations. We anticipate that the experiences and best practices presented here will form the basis for the next generation of cell-scale models, which will begin to address the addition of soluble proteins, nucleic acids, and small molecules essential to the function of a cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A Fabrication Strategy for Reconfigurable Millimeter–Scale Metamaterials

Rather than depending on material composition to primarily dictate performance metrics, metamaterials can leverage geometry to achieve specific properties of interest. For example, reconfigurable metamaterials have enabled programmable shape transformations, tunable mechanical properties, and energy absorption. While several methods exist to fabricate such structures, they often place severe restrictions on manufacturing materials, or require significant manual assembly. Moreover, these arrays are typically composed of unit cells that are either macro–scale or micro–scale in dimension. Here, the fabrication gap is bridged, and laminate manufacturing is used to develop a method for designing reconfigurable metamaterials at the millimeter–scale, that is compatible with a wide range of materials, and that requires minimal manual assembly. In addition to showing the versatility of this fabrication method, how the use of laminate manufacturing affects the behavior of these multi–component arrays is also characterized. To this end, a numerical model that captures the deformations exhibited by the structures is developed, and an analytic model that predicts the strain of the structure under compressive stress is built. Overall, this approach can be leveraged to develop millimeter–scale metamaterials for applications that require reconfigurable materials, such as in the design of tunable acoustics, photonic waveguides, and electromagnetic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A rheological model for loose sands with insights from DEM

A rheological model for loose granular media is developed to capture both solid-like and fluid-like responses during shearing. The proposed model is built by following the mathematical structure of an extended Kelvin–Voigt model, where an elastic spring and plastic slider act in parallel to a viscous damper. This arrangement requires the partition of the total stress into rate-independent and rate-dependent stress components. To model the solid-like behavior, a simple frictional plasticity model is adopted without modifications, thus contributing to the rate-independent stress. Instead, the fluid-like or rate-dependent stress is further decomposed into deviatoric and volumetric parts, by proposing a new formulation based on a combination of the μ(I) relation, originally developed under pressure-controlled shear, with a pressure-shear rate relation derived under volume-controlled shear. The proposed formulation allows the model to capture both the increase in the friction coefficient and the enhanced dilation at high shear rates. High-fidelity simulation data, obtained from discrete element method and multiscale modelling, are used to evaluate the performance of the proposed constitutive model. The model provides accurate results under both drained and undrained simple shear paths across a wide range of shear rates. Furthermore, it successfully reproduces at much lower computational cost the flowslide mobility computed through multiscale simulations, which is primarily regulated by the shear rate dependence of the material properties during the dynamic runout stage.

Elasticity↗
DOE OSTI2018

A Graph Theory-Based Automated Twin Recognition Technique for Electron Backscatter Diffraction Analysis

Abstract The present article introduces a new software, Microstructure Evaluation Tool for Interface Statistics (METIS), that performs high-throughput microstructure statistical analysis from electron backscatter diffraction maps. Emphasis is placed on the detection of twin domains in hexagonal close-packed metals. The numerical framework on which METIS is built leverages graph theory, group structures, and associated numerical algorithms to automatically detect twins and unravel both their intrinsic characteristics features and those pertaining to their interactions. The proposed graphical interface allows for the detection and correction of unlikely twin/parent associations rendering the approach applicable to highly deformed microstructures. Twin statistics and microstructural data are classified and saved in a relational database that can be interrogated via either GUI or SQL requests to reveal a wide spectrum of features of the microstructure. Illustration of the approach is performed in the case of zirconium.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Crystal structure, IR and Mössbauer spectroscopy and magnetic properties of KZnFe(PO{sub 4}){sub 2} related to the zeolite-ABW-like compounds

Highlights: • The reported structure of KZnFe(PO{sub 4}){sub 2} is closely related to the zeolite ABW-type. • The structure is described in detail. • The IR and Mössbauer spectroscopy results are reported. • The magnetic properties are developed. - Abstract: The new iron phosphate KZnFe(PO{sub 4}){sub 2} has been synthesized by flux method and solid state reaction, and characterized by X-ray diffraction, IR, Mössbauer spectroscopy and magnetic susceptibility. This compound crystallizes in the monoclinic space group C2/c with the cell parameters: a = 13.514(4) Å, b = 13.273(6) Å, c = 8.742(3) Å and β = 100.07(2)°. It displays strong similarities with the phosphates KCoAl(PO{sub 4}){sub 2} and NaCoPO{sub 4} and features some analogies with the zeolite-ABW structural type. 3D framework is built up by a corner-sharing between MO{sub 4} (M = 0.5 Zn + 0.5 Fe) and PO{sub 4} tetrahedra. The K{sup +} ions are found within crossing tunnels perpendicular to the (1 0 0), (0 1 0) and (0 0 1) planes, delimited by this framework. A Mössbauer study confirmed the presence of Fe{sup 3+} ions in a tetrahedral environment. Magnetic measurements revealed an antiferromagnetic behavior with T{sub N} = 8.5 K.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Resistive switching: An investigation of the bipolar–unipolar transition in Co-doped ZnO thin films

Highlights: • A purely bipolar behavior on a Co-doped ZnO thin film has been demonstrated. • We have shown what can happen if a unipolar test is performed in a purely bipolar device. • An explanation for how a sample can show a purely bipolar switching behavior was suggested. • An important open issue about resistive switching effect was put in debate. - Abstract: In order to investigate the resistive switching effect we built devices in a planar structure in which two Al contacts were deposited on the top of the film and separated by a small gap using a shadow mask. Therefore, two samples of 10% Co-doped ZnO thin films were sputtered on glass substrate. High resolution X-ray diffraction (HRXRD) revealed a highly c-axis oriented crystalline structure, without secondary phase. The high resolution scanning electron microscopy (HRSEM) showed a flat surface with good coverage and thickness about 300 nm. A Keithley 2425 semiconductor characterization system was used to perform the resistive switching tests in the bipolar and unipolar modes. Considering only the effect of compliance current (CC), the devices showed a purely bipolar behavior since an increase in CC did not induce a transition to unipolar behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Deformation behavior of additively manufactured GP1 stainless steel

In-situ neutron diffraction measurements were performed in this paper during heat-treating and uniaxial loading of additively manufactured (AM) GP1 material. Although the measured chemical composition of the GP1 powder falls within the composition specifications of 17-4 PH steel, a fully martensitic alloy in the wrought condition, the crystal structure of the as-built GP1 material is fully austenitic. Chemical analysis of the as-built material shows high oxygen and nitrogen content, which then significantly decreased after heat-treating in a vacuum furnace at 650 °C for one hour. Significant austenite-to-martensite phase transformation is observed during compressive and tensile loading of the as-built and heat-treated material with accompanied strengthening as martensite volume fraction increases. During loading, the initial average phase stress state in the martensite is hydrostatic compression independent of the loading direction. Finally, preferred orientation transformation in austenite and applied load accommodation by variant selection in martensite are observed via measurements of the texture development.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Chiral response of a twisted bilayer of hexagonal boron nitride

Here, we propose a bilayer structure made of two twisted hexagonal boron nitride (hBN) slabs for realizing tunable chirality in this work. Our numerical results show that a maximum circular dichroism as high as 0.84 can be achieved with the bilayer structure. The chiral response of the proposed structure comes from the combined effects of polarization conversion of circularly polarized wave with the top slab and selective transmission of linearly polarized wave with the bottom slab. Besides, the chirality can be actively controlled by adjusting the optic axis orientation of the top hBN slab. Finally, the bilayer structure is possible to be built with other suitable materials, metamaterials and microstructures for functioning chiral response in different wavebands. Therefore, the results in this work may provide some important hints for the design of novel chiral response sensors for optical, chemical and biological sensing.

42 ENGINEERING↗
DOE OSTI2020

RuAl 6 —An Endohedral Aluminide Superconductor

Superconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg-Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in terms of the crystal orbital Hamilton population (-COHP) analysis. The difference in Tc in the two materials is caused by the significantly stronger electron-phonon coupling found in RuAl6, which is a result of significantly stronger antibonding interactions. The presence of superconductivity in yet another compound made of aluminum clusters possibly expands the correlation of critical temperature and the structure shown for Ga-built clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Integrated Molecular and Microscopic Scale Insight into Morphology and Ion Dynamics in Ca2+-Mediated Natural Organic Matter Floccs

Combined X-ray diffraction (XRD), helium ion microscopy (HeIM), and Ca-43 nuclear magnetic resonance (NMR) results provide novel insight into the nano- and microstructure of flocculated NOM; the molecular-scale interaction among natural organic matter (NOM), dissolved Ca2+ ions, and water in NOM floccs; and the effects of pH and ionic strength on these characteristics. Suwannee River humic acid (HA), fulvic acid (FA), and NOM flocculated from Ca2+ bearing solutions share similar morphological characteristics on the 100 nm to micron scales, including micron-sized equant fragments and rounded, rough areas with features on the 100 nm scale. HeIM suggests that the NOM floccs are built from a fundamental spheroidal structure that is similar to 10 nm in diameter, in agreement with published AFM and small-angle X-ray scattering results. Calcium is incorporated into these floccs at 100% relative humidity in a wide range of disordered structural environments, with basic pH leading to shorter mean Ca-O distances and lower mean coordination numbers with respect to floccs formed under acidic conditions. The NMR results show that dynamical processes involving water and Ca2+ occurring at frequencies >10(4) Hz are important for hydrated OM floccs, in agreement with published molecular dynamics simulations of OM in solution. From the NMR results, we find evidence for two Ca2+ dynamic averaging mechanisms: one related to rapid exchange (>100 kHz) between surface proximity-restricted (those within 5 angstrom of a surface) and bulk solution environments when excess Ca2+ is present in the pore solution when pore water is unfrozen and a second consisting of intermediate scale (tens of kHz) site exchange among strongly sorbed inner-sphere sites when excess Ca2+ is absent and the carboxylic and phenolic functional groups of the NOM are deprotonated.

AQUEOUS-SOLUTIONS↗
DOE OSTI2015

Monolithically integrated mid-infrared sensor using narrow mode operation and temperature feedback

A method to improve the sensitivity and selectivity of a monolithically integrated mid-infrared sensor using a distributed feedback laser (DFB) is presented in this paper. The sensor is based on a quantum cascade laser/detector system built from the same epitaxial structure and with the same fabrication approach. The devices are connected via a dielectric-loaded surface plasmon polariton waveguide with a twofold function: it provides high light coupling efficiency and a strong interaction of the light with the environment (e.g., a surrounding fluid). The weakly coupled DFB quantum cascade laser emits narrow mode light with a FWHM of 2 cm{sup −1} at 1586 cm{sup −1}. The room temperature laser threshold current density is 3 kA∕cm{sup 2} and a pulsed output power of around 200 mW was measured. With the superior laser noise performance, due to narrow mode emission and the compensation of thermal fluctuations, the lower limit of detection was expanded by one order of magnitude to the 10 ppm range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Comparative study of perovskite-type scintillator materials CsCaI 3 and KCaI 3 via first-principles calculations

Several members of a large family of perovskite-like halides with a common chemical formula, ABX3 (A = monovalent, B = divalent, and X = halogen ion), are being investigated for their interesting properties and potential technological applications. CsCaI3 and KCaI3 are two such ionic compounds who are of interest in the quest for superior and cost-effective alternatives to NaI or CsI based scintillators. They are the subject of this first-principles based computational study. Both are wide-gap materials having primarily I 5p and Ca 3d characters near the valence and conduction band edges, respectively. Although built from [CaI6] octahedral motifs, structural differences between the two compounds is reflected in anisotropic electron effective mass and distinctive formation and migration of self-trapped holes. We discuss these properties as they relate to scintillation decay and proportional light yield.

Kang, Byungkyun↗