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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Formation of nickel magnetic nanoparticles and modification of nickel phthalocyanine matrix by sodium doping

Data for the vapor-phase doping (300°C) of nickel phthalocyanine (NiPc) by sodium taken in different concentrations (x), as well as structural analysis data for Na{sub x=0.2}NiPc, Na{sub x=1}NiPc, and Na{sub x=3}NiPc samples, have been reported. The structure of the samples and their atomic configuration versus the doping level have been studied by transmission electron microscopy, Raman scattering, X-ray diffraction, X-ray absorption spectroscopy, and extended X-ray absorption fine structure (EXAFS) spectroscopy. The structural parameters of Ni–N, Ni–C, and Ni–Ni bonds have been determined, and it has been found that, at a low level of doping by sodium, local structural distortions are observed in some molecules of the NiPc matrix near nickel atoms. The fraction of these molecules grows as the doping level rises from x = 0.2 to x = 1.0. It has been shown that doping changes the oscillation mode of light atoms, which indicates a rise in the electron concentration on five- and six-membered rings. At a high level of sodium doping (x = 3.0), nickel nanoparticles with a mean size of 20 nm and molecule decomposition products have been observed in the NiPc matrix. It has been found that the fraction of nickel atoms in the Na{sub x=3}NiPc nanoparticles as estimated from EXAFS data is sufficient for the room-temperature magnetic properties of the samples to persist for a long time.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2005

Mars, Always Cold, Sometimes Wet: New Constraints on Mars Denudation Rates and Climate Evolution from Analog Studies at Haughton Crater, Devon Island, High Arctic

Analysis of crater modification on Mars and at Haughton Crater, Devon Island, High Arctic, which was recently shown to be significantly older than previously believed (Eocene age instead of Miocene) [1], suggest that Mars may have never been climatically wet and warm for geological lengths of time during and since the Late Noachian. Impact structures offer particularly valuable records of the evolution of a planet s climate and landscape through time. The state of exposure and preservation of impact structures and their intracrater fill provide clues to the nature, timing, and intensity of the processes that have modified the craters since their formation. Modifying processes include weathering, erosion, mantling, and infilling. In this study, we compare the modification of Haughton through time with that of impact craters in the same size class on Mars. We derive upper limits for time-integrated denudation rates on Mars during and since the Late Noachian. These rates are significantly lower than previously published and provide important constraints for Mars climate evolution.

Lee, Pascal↗
NASA NTRSDate not supplied

Mass Spectrometer Observing Lunar Operations (MSoLo)

Introduction: In 2019, the National Aeronautics and Space Administration (NASA) announced that it would seek to have humans return to the moon by 2024 in the hopes of establishing a more sustainable lunar presence by 2028. This goal comes with many challenges, one of upmost importance will be to utilize resources that can be found on the moon. Water, which has been identified in the lunar Polar Regions, will be a key resource for in-situ resource utilization (ISRU), as it is capable of being processed for vehicular fuel, as well as life support systems materials such as oxygen. Upcoming Commercial Lunar Payload Services (CLPS) missions will be critical for these resource assessments. Methods: A modified commercial off-the-shelf (COTS) mass spectrometer developed at Kennedy Space Center known as MSolo, consisting of a quadrupole mass filter and space rated electronics undergoes testing and modifications in order to study operational parameters to unconventional approaches needed in flight situations. In general, MSolo operates in the 0-100 m/z range with the ability to detect with a faraday cup (FC) or an electron multiplier (EM) for enhanced detection. A crossbeam (XB) ionization source is used. Preliminary Data: Prior to construction, little information was available on how the MSolo system would perform at lunar like environments, factors such as temperatures (possible fluctuations from 70 to -45 °C), vibrations from launch and their side effects, the general ability to operate while the entire system (hardware and electronic components) were in a vacuum environment, were factors that while know to flight instruments, were something new to a modified COTS system. As components start to warm up, temperature becomes a key factor (ie. heat can no longer escape the electronics as no atmosphere is present), therefore it becomes crucial to find new ways to maintain stable signals and keep the instrument tuned. Calibration itself becomes an important parameter that needs to be performed while maintaining all flight like characteristics. Even the structure itself of MSolo’s sensor needed to be changed to survive the verification parameters needed to be approved for flight. Most important, all the modifications made to the COTS system have to keep the instrument working at the same specifications of the standard commercial systems. Novel Aspect: Results gathered provide key parameters that will assist to the unconventional mass spectrometry approaches of the upcoming CLPS missions to which MSolo has been selected to.

MSolo↗
DOE OSTI2021

Utilizing Oxygen Redox in Layered Cathode Materials from Multiscale Perspective

We report in high-capacity layered oxide cathode materials, utilization of lattice oxygen as a redox center is considered to be one of the most promising approaches to overcome the capacity limitation set by conventional transition metal redox centers. However, rapid material degradation is often associated with oxygen oxidation, leading to formidable challenges in utilizing oxygen redox. Further mechanistic understanding of the oxygen activities thus becomes critical to better control oxygen redox reactions. This review summarizes recent advances for investigating oxygen redox reactions in cathode materials from a multiscale perspective, i.e., from the atomistic level to the microstructure regime. First the mechanistic aspects of oxygen redox and the consequences of this reaction on various electrode degradation pathways during battery operation (e.g., oxygen loss, transition metal migration, irreversible phase transition), relating structural changes at the crystallographic scale to those at the macro scale, are discussed. Then recent developments based on atomic and microstructure modifications that are promising for improving the reversibility of oxygen redox reaction or mitigating the harmful processes arising from oxidation of the oxygen centers under high operating voltage are recounted. The analysis is concluded with a commentary on further research directions toward optimizing the oxygen activity for high-capacity charge storage.

25 ENERGY STORAGE↗
DOE OSTI2024

Synthesis and characterization of photo-cross-linkable quince seed-based hydrogels for soft tissue engineering applications

The convenience, versatility, and biocompatibility of photocrosslinkable hydrogel precursors make them promising candidates for developing tissue engineering scaffolds. However, the current library of photosensitive materials is limited. This study reports, for the first time, the modification of quince seed mucilage (QS) with glycidyl methacrylate (GM), resulting in the synthesis of methacrylated QS (QSGM). The chemical composition and structure of QS were analyzed. The effects of reaction time, temperature, QS concentration, and GM/QS ratio on the degree of methacrylation, as well as the physicochemical, rheological, mechanical, and biological properties of the synthesized materials were explored. Chemical characterization using 1H NMR and FTIR confirmed the successful methacrylation of QS. Hydrogels fabricated from QSGMs at a 0.5 wt% concentration exhibited high swelling ratios of 320 to 580 g/g, and compressive strengths between 0.6 ± 0.1 and 1.2 ± 0.3 kPa. No significant changes in the rheological properties of hydrogel precursors were observed. Moreover, QSGM-based hydrogels supported cell encapsulation for 14 days with minimal cytotoxicity and immune cell activation. Finally, as a proof of concept, the potential use of QSGM for 3D printing was demonstrated. Overall, the results highlight the significant potential of QSGMs as a biomaterial of choice for soft tissue engineering applications.

3D printing↗
DOE OSTI2025

Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential

Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of intermolecular interactions to crystallization behavior continue to hinder progress. In this study, we address this knowledge gap by studying nucleation and growth in systems with modified Lennard-Jones potential. Specifically, we study the commonly used 12-6 potential and a softer 7-6 potential. The thermodynamic state point for the study is chosen such that both systems are investigated at the same level of supercooling and pressure. Under these conditions, we find that the nucleation rate for both systems is comparable. Interestingly, the nucleation pathways and resulting crystal structures are different. In the 12-6 system, nucleation and growth occur predominantly through the FCC structure. Softening the potential alters the critical nucleus composition and introduces two distinct nucleation pathways. One pathway predominantly leads to the nucleus with a body-centered cubic (BCC) structure, while the other favors the face-centered cubic (FCC) arrangement. Our study illustrates that polymorph selection can be achieved through modifications to intermolecular interactions without impacting nucleation kinetics. The results have significant implications in designing approaches for polymorph selection and modulating self-assembly mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Decarboxylation of the Catalytic Lysine Residue by the C5α-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase

Antibiotic resistance in bacteria is a major global health concern. The wide spread of carbapenemases, bacterial enzymes that degrade the last-resort carbapenem antibiotics, is responsible for multidrug resistance in bacterial pathogens and has further significantly exacerbated this problem. Acinetobacter baumannii is one of the leading nosocomial pathogens due to the acquisition and wide dissemination of carbapenem-hydrolyzing class D β-lactamases, which have dramatically diminished available therapeutic options. Thus, new antibiotics that are active against multidrug-resistantA. baumannii and carbapenemase inhibitors are urgently needed. Here we report characterization of the interaction of the C5α-methyl-substituted carbapenem NA-1-157 with one of the clinically important class D carbapenemases, OXA-58. Antibiotic susceptibility testing shows that the compound is more potent than commercial carbapenems against OXA-58-producingA. baumannii, with a clinically sensitive MIC value of 1 μg/mL. Kinetic studies demonstrate that NA-1-157 is a very poor substrate of the enzyme due mainly to a significantly reduced deacylation rate. Mass spectrometry analysis shows that inhibition of OXA-58 by NA-1-157 proceeds through both the classical acyl-enzyme intermediate and a reversible covalent species. Time-resolved X-ray crystallographic studies reveal that upon acylation of the enzyme, the compound causes progressive decarboxylation of the catalytic lysine residue, thus severely impairing deacylation. Overall, this study demonstrates that the carbapenem NA-1-157 is highly resistant to degradation by the OXA-58 carbapenemase.

Acinetobactor↗
DOE OSTI2025

Thermal processing to modulate surface chemistry and bulk charge distribution in nickel-rich layered lithium positive electrodes

The broader application of nickel-rich layered oxides as positive electrode materials for lithium-ion batteries has been hindered by their high manufacturing cost and inferior cycling stability. Thermal processing, which is integral to electrode materials manufacturing and fundamental in materials science, has not been fully utilized to design advanced positive electrode materials. Herein, we demonstrate the capability of using quenching heat treatment to regulate Li distribution and modulate electronic structure near particle surface. The resulting materials exhibit less parasitic reactions with the electrolyte and an improved charge distribution homogeneity in secondary particles, leading to more stable cycling performance at high voltages (4.5 V vs Li/Li + ). Our synchrotron X-ray analyses reveal the underlying interplay between surface structure and bulk charge distribution in positive electrode materials particles. While strategies used to stabilize positive electrode materials through compositional control, surface modification, and electrolyte engineering have become mature, thermal processing can be advantageous to further improve positive electrode materials manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study

Dion–Jacobson (DJ) phase two-dimensional (2D) hybrid halide perovskites are promising for environmentally stable optoelectronic device applications due to their attractive photophysical properties, including long charge carrier lifetime and partially suppressed non-radiative losses. However, the atomistic details of the structure–property relationship are severely limited, which substantially restricts the strategic materials designed for these layered halide perovskites (LHPs). Here, we combine nonadiabatic molecular dynamics and time-domain density functional theory to understand the effects of spacer cation functionalization on the ground and excited-state charge carrier dynamics in DJ phase LHPs. Our in-depth study reveals that the fluorination of spacer cations considerably restricts the thermal motions of LHPs at ambient conditions. The compact structure weakens the overall electron–phonon interactions and reduces the thermal fluctuations of the band edges in real-time. These dynamic modifications partially mitigate the non-radiative recombination, prolonging the lifetime of photogenerated charge carriers. The suppressed carrier loss mechanism strongly suggests that the fluorinated spacer cation-based LHPs would exhibit enhanced performance as optoelectronic materials. These systematic simulations of excited state carrier dynamics elaborate that chemically viable functionalization of the spacer cations is a robust approach to improve the photophysical properties of 2D halide perovskites strategically. These insights also guide us to propose a few potential strategies to design highly beneficial spacer cations of LHPs that can be introduced in next-generation optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Plasmonic waveguides from Coulomb-engineered two-dimensional metals

Abstract Coulomb interactions play an essential role in atomically-thin materials. On one hand, they are strong and long-ranged in layered systems due to the lack of environmental screening. On the other hand, they can be efficiently tuned by means of surrounding dielectric materials. Thus all physical properties which decisively depend on the exact structure of the electronic interactions can be in principle efficiently controlled and manipulated from the outside via Coulomb engineering. Here, we show how this concept can be used to create novel plasmonic waveguides in metallic layered materials. We discuss how dielectrically structured environments can be utilized to non-invasively confine plasmonic excitations in an unperturbed homogeneous metallic two-dimensional system by modifications of its many-body interactions. We define optimal energy ranges for this mechanism and demonstrate plasmonic confinement within several nanometers. In contrast to conventional functionalization mechanisms, this scheme relies on a purely many-body concept and does not involve any direct modifications to the active material itself.

Materials Science↗
NASA NTRS1972

Study of effects of design details on structural response to acoustic excitation

The normal mode vibration characteristics of one-dimensional and two-dimensional panel arrays were investigated analytically and experimentally. The finite element displacement method was used to formulate the structural models. The structural models include a stiffness and consistent mass matrix for thin-walled open-section beams not previously reported, and a modification of a rectangular plate bending element to include a fundamental interior mode for the element as a generalized coordinate. Provision for adding lumped masses to represent accelerometers is also included. For the one-dimensional panel, the normal mode stress resultants are obtained by integrating the equilibrium equations directly. For the two-dimensional panel arrays, the solution for the stress resultants in the cover sheet was attempted by introducing stress functions dependent upon the displacement field of the plate element. This approach, although incomplete, is a natural extension of the one-dimensional analysis for plate elements. The exerimental program which was used to verify the analysis is described and experimental results are compared with the analysis.

Rudder, F. F., Jr.↗
NASA NTRS1976

Rocket/launcher structural dynamics

The equations of motion describing the interactions between a rocket and a launcher were derived using Lagrange's Equation. A rocket launching was simulated. The motions of both the rocket and the launcher can be considered in detail. The model contains flexible elements and rigid elements. The rigid elements (masses) were judiciously utilized to simplify the derivation of the equations. The advantages of simultaneous shoe release were illustrated. Also, the loading history of the interstage structure of a boosted configuration was determined. The equations shown in this analysis could be used as a design tool during the modification of old launchers and the design of new launchers.

Ferragut, N. J.↗
NASA NTRS1980

Shuttle Ku-band and S-band communications implementation study

Various aspects of the shuttle orbiter S-band network communication system, the S-band payload communication system, and the Ku-band communication system are considered. A method is proposed for obtaining more accurate S-band antenna patterns of the actual shuttle orbiter vehicle during flight because the preliminary antenna patterns using mock-ups are not realistic that they do not include the effects of additional appendages such as wings and tail structures. The Ku-band communication system is discussed especially the TDRS antenna pointing accuracy with respect to the orbiter and the modifications required and resulting performance characteristics of the convolutionally encoded high data rate return link to maintain bit synchronizer lock on the ground. The TDRS user constraints on data bit clock jitter and data asymmetry on unbalanced QPSK with noisy phase references are included. The S-band payload communication system study is outlined including the advantages and experimental results of a peak regulator design built and evaluated by Axiomatrix for the bent-pipe link versus the existing RMS-type regulator. The nominal sweep rate for the deep-space transponder of 250 Hz/s, and effects of phase noise on the performance of a communication system are analyzed.

Dodds, J. G.↗
NASA NTRS1980

Nickel-hydrogen battery integration study for the Multimission Modular Spacecraft

A study has been performed to determine the feasibility of using nickel-hydrogen batteries as replacements for the nickel-cadmium batteries currently used for energy storage in the Multimission Modular Spacecraft under a contract with NASA Goddard Space Flight Center. The battery configuration was selected such that it meets volumetric and mounting constraints of the existing battery location, interfaces electrically with existing power conditioning and distribution equipment, and maintains acceptable cell operating temperatures. The battery contains 21, 50 ampere-hour cells in a cast aluminum structural frame. Cells used in the battery design are those developed under the Air Force's Aero Propulsion Laboratory funding and direction. Modifications of the thermal control system were necessary to increase the average output power capability of the Modular Power Subsystem.

Mueller, V. C.↗
NASA NTRS1984

Dynamic model of the Earth's upper atmosphere

An initial modification to the MSF/J70 Thermospheric Model, in which the variations due to sudden geomagnetic disturbances upon the Earth's upper atmospheric density structure were modeled is presented. This dynamic model of the geomagnetic variation included is an improved version of one which SAO developed from the analysis of the ESRO 4 mass spectrometer data that was incorporated in the Jacchia 1977 model. The variation with geomagnetic local time as well as with geomagnetic latitude are included, and also the effects due to disturbance of the temperature profiles in the region of energy deposition.

Slowey, J. W.↗
NASA NTRS1985

Systematic analysis of EOS data system for operations

A data management analysis methodology is being proposed. The objective of the methodology is to assist mission managers by identifying a series of ordered activities to be systematically followed in order to arrive at an effective ground system design. Existing system engineering tools and concepts have been assembled into a structured framework to facilitate the work of a mission planner. It is intended that this methodology can be gainfully applied (with probable modifications and/or changes) to the EOS payloads and their associated data systems.

Moe, K. L.↗