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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Mass spectrometry

Advances in mass spectrometry (MS) and its applications over the past decade are reviewed in depth, with annotated literature references. New instrumentation and techniques surveyed include: modulated-beam MS, chromatographic MS on-line computer techniques, digital computer-compatible quadrupole MS, selected ion monitoring (mass fragmentography), and computer-aided management of MS data and interpretation. Areas of application surveyed include: organic MS and electron impact MS, field ionization kinetics, appearance potentials, translational energy release, studies of metastable species, photoionization, calculations of molecular orbitals, chemical kinetics, field desorption MS, high pressure MS, ion cyclotron resonance, biochemistry, medical/clinical chemistry, pharmacology, and environmental chemistry and pollution studies.

Burlingame, A. L.↗
DOE OSTI2022

Low temperature CVD growth of WSe 2 enabled by moisture-assisted defects in the precursor powder

Two-dimensional transition metal dichalcogenides (TMDs) have been proposed for a wide variety of applications, such as neuromorphic computing, flexible field effect transistors, photonics, and solar cells, among others. However, for most of these applications to be feasible, it is necessary to integrate these materials with the current existing silicon technology. Although chemical vapor deposition is a promising method for the growth of high-quality and large-area TMD crystals, the high temperatures necessary for the growth make this technique incompatible with the processes used in the semiconductor industry. Herein, we demonstrate the possibility of low-temperature growth of TMDs, using tungsten selenide (WSe 2 ) as a model, by simply using moisture-assisted defective tungsten oxide (WO 3 ) precursor powders during the growth of these materials. Density functional theory calculations reveal the mechanism by which moisture promotes the defect formation on the precursor crystal structure and how it dictates the reduction of the temperature of the growth. The results were compared with the standard growth at high temperatures and with a precursor mixture with alkali salts to show the high quality of the WSe 2 grown at temperatures as low as 550 °C. To conclude, the work improves the understanding of nucleation and growth mechanisms of WSe 2 at low temperatures and provides a useful strategy for the growth of TMDs at temperatures required for the back-end-of-line compatibility with current silicon technology.

2D materials↗
NASA NTRS1983

High-temperature molten salt thermal energy storage systems for solar applications

Experimental results of compatibility screening studies of 100 salt/containment/thermal conductivity enhancement (TCE) combinations for the high temperature solar thermal application range of 704 deg to 871 C (1300 to 1600 F) are presented. Nine candidate containment/HX alloy materials and two TCE materials were tested with six candidate solar thermal alkali and alkaline earth carbonate storage salts (both reagent and technical grade of each). Compatibility tests were conducted with salt encapsulated in approx. 6.0 inch x 1 inch welded containers of test material from 300 to 3000 hours. Compatibility evaluations were end application oriented, considering the potential 30 year lifetime requirement of solar thermal power plant components. Analyses were based on depth and nature of salt side corrosion of materials, containment alloy thermal aging effects, weld integrity in salt environment, air side containment oxidation, and chemical and physical analyses of the salt. A need for more reliable, and in some cases first time determined thermophysical and transport property data was also identified for molten carbonates in the 704 to 871 C temperature range. In particular, accurate melting point (mp) measurements were performed for Li2CO3 and Na2CO3 while melting point, heat of fusion, and specific heat determinations were conducted on 81.3 weight percent Na2CO3-18.7 weight percent K2CO3 and 52.2 weight percent BaCO3-47.8 weight percent Na2CO3 to support future TES system design and ultimate scale up of solar thermal energy storage (TES) subsystems.

Petri, R. J.↗
DOE OSTI2023

Aerosol‐Jet‐Printable Covalent Organic Framework Colloidal Inks and Temperature‐Sensitive Nanocomposite Films

Abstract With molecularly well‐defined and tailorable 2D structures, covalent organic frameworks (COFs) have emerged as leading material candidates for chemical sensing, storage, separation, and catalysis. In these contexts, the ability to directly and deterministically print COFs into arbitrary geometries will enable rapid optimization and deployment. However, previous attempts to print COFs have been restricted by low spatial resolution and/or post‐deposition polymerization that limits the range of compatible COFs. Here, these limitations are overcome with a pre‐synthesized, solution‐processable colloidal ink that enables aerosol jet printing of COFs with micron‐scale resolution. The ink formulation utilizes the low‐volatility solvent benzonitrile, which is critical to obtaining homogeneous printed COF film morphologies. This ink formulation is also compatible with other colloidal nanomaterials, thus facilitating the integration of COFs into printable nanocomposite films. As a proof‐of‐concept, boronate‐ester COFs are integrated with carbon nanotubes (CNTs) to form printable COF‐CNT nanocomposite films, in which the CNTs enhance charge transport and temperature sensing performance, ultimately resulting in high‐sensitivity temperature sensors that show electrical conductivity variation by 4 orders of magnitude between room temperature and 300 °C. Overall, this work establishes a flexible platform for COF additive manufacturing that will accelerate the incorporation of COFs into technologically significant applications.

2D materials↗
DOE OSTI2024

phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids

Phosphorylated amino acids are involved in many cell regulatory networks; proteins containing these post-translational modifications are widely studied both experimentally and computationally. Simulations are used to investigate a wide range of structural and dynamic properties of biomolecules, such as ligand binding, enzyme-reaction mechanisms, and protein folding. However, the development of force field parameters for the simulation of proteins containing phosphorylated amino acids using the Amber program has not kept pace with the development of parameters for standard amino acids, and it is challenging to model these modified amino acids with accuracy comparable to proteins containing only standard amino acids. In particular, the popular ff14SB and ff19SB models do not contain parameters for phosphorylated amino acids. Here, the dihedral parameters for the side chains of the most common phosphorylated amino acids are trained against reference data from QM calculations adopting the ff14SB approach, followed by validation against experimental data. Finally, library files and corresponding parameter files are provided, with versions that are compatible with both ff14SB and ff19SB.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Identification of triacylglycerol remodeling mechanism to synthesize unusual fatty acid containing oils

Abstract Typical plant membranes and storage lipids are comprised of five common fatty acids yet over 450 unusual fatty acids accumulate in seed oils of various plant species. Plant oils are important human and animal nutrients, while some unusual fatty acids such as hydroxylated fatty acids (HFA) are used in the chemical industry (lubricants, paints, polymers, cosmetics, etc.). Most unusual fatty acids are extracted from non-agronomic crops leading to high production costs. Attempts to engineer HFA into crops are unsuccessful due to bottlenecks in the overlapping pathways of oil and membrane lipid synthesis where HFA are not compatible. Physaria fendleri naturally overcomes these bottlenecks through a triacylglycerol (TAG) remodeling mechanism where HFA are incorporated into TAG after initial synthesis. TAG remodeling involves a unique TAG lipase and two diacylglycerol acyltransferases (DGAT) that are selective for different stereochemical and acyl-containing species of diacylglycerol within a synthesis, partial degradation, and resynthesis cycle. The TAG lipase interacts with DGAT1, localizes to the endoplasmic reticulum (with the DGATs) and to puncta around the lipid droplet, likely forming a TAG remodeling metabolon near the lipid droplet-ER junction. Each characterized DGAT and TAG lipase can increase HFA accumulation in engineered seed oils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

meso -Ethynyl-extended push–pull type porphyrins for near-infrared organic photodetectors

We report natural porphyrins play a key role in a range of vital functions such as oxygen transport in the bloodstream and the conversion of light to chemical energy in plants. Likewise, synthetic porphyrin derivatives can be used to detect light and convert it into an electrical current in photodiodes. The versatility of porphyrinoid chemistry allows to extend the absorptivity (and hence detectivity) to the near-infrared while maintaining good solubility, suitable electrochemical properties, and compatibility with the electron acceptor molecules required to achieve a reasonable photocurrent. Here, our efforts on the design and synthesis of novel push–pull type meso-ethynyl-extended porphyrin compounds, both of A–D–A and D–A–D type (D = donor, A = acceptor), and their evaluation in prototype near-infrared organic photodetector devices are presented. The push–pull design with strongly electron-deficient building blocks results in absorption onsets up to 1200 nm, translating in an optical gap approaching 1 eV. Both A–D–A and D–A–D small molecules show good photodetector performance, with a peak specific detectivity near 2 x 10 11 and 4 x 10 11 Jones at 1000 nm (at -2 V bias), respectively. These values are among the best reported so far for small molecule based near-infrared organic photodetectors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Retrofitting Laboratory Fume Hoods With Face Velocity Monitors at NASA Lewis Research Center

Extensive use and reliance on laboratory fume hoods exist at LeRC for the control of chemical hazards (nearly 175 fume hoods). Flow-measuring devices are necessary to continually monitor hood performance. The flow-measuring device should he tied into an energy management control system to detect problems at a central location without relying on the users to convey information of a problem. Compatibility concerns and limitations should always be considered when choosing the most effective flow-measuring device for a particular situation. Good practice on initial hood design and placement will provide a system for which a flow-measuring device may be used to its full potential and effectiveness.

Wagner, Ingrid E.↗
DOE OSTI2022

Simple Setup Miniaturization with Multiple Benefits for Green Chemistry in Nanoparticle Synthesis

The development of nanomaterials often relies on wet-chemical synthesis performed in reflux setups using round-bottom flasks. Here, an alternative approach to synthesize nanomaterials is presented that uses glass tubes designed for NMR analysis as reactors. This approach uses less solvent and energy, generates less waste, provides safer conditions, is less prone to contamination, and is compatible with high-throughput screening. The benefits of this approach are illustrated by an in breadth study with the synthesis of gold, iridium, osmium, and copper sulfide nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Space shuttle prototype check valve development

Contaminant-resistant seal designs and a dynamically stable prototype check valve for the orbital maneuvering and reaction control helium pressurization systems of the space shuttle were developed. Polymer and carbide seal models were designed and tested. Perfluoroelastomers compatible with N2O4 and N2H4 types were evaluated and compared with Teflon in flat and captive seal models. Low load sealing and contamination resistance tests demonstrated cutter seal superiority over polymer seals. Ceramic and carbide materials were evaluated for N2O4 service using exposure to RFNA as a worst case screen; chemically vapor deposited tungsten carbide was shown to be impervious to the acid after 6 months immersion. A unique carbide shell poppet/cutter seat check valve was designed and tested to demonstrate low cracking pressure ( 2.0 psid), dynamic stability under all test bench flow conditions, contamination resistance (0.001 inch CRES wires cut with 1.5 pound seat load) and long life of 100,000 cycles (leakage 1.0 scc/hr helium from 0.1 to 400 psig).

Tellier, G. F.↗
NASA NTRS1990

Carbon in comet dust

The association of Halley particle results with data from existing meteoritic materials that can be analyzed in the laboratory is discussed. Comet samples must exist in present collections of meteoritic materials and the Halley results provide clues for identifying them. Although it is not presently possible to positively identify cometary meteorites or cometary interplanetary dust (IDP) samples, it is possible to determine which materials are similar to Halley dust and which ones are distinctly unlike Halley. The properties of these existing Halley-compatible samples provide insight into the possible properties of cometary material. Positive identification of meteoritic comet samples or direct samples returned from a comet nucleus would of course revolutionize our ability to study carbonaceous matter in comets. Modern analytical techniques are very powerful and it is possible to perform elemental, chemical, mineralogical and even limited isotopic analysis on micron-size particles. There is an important synergism between the laboratory studies of collected samples and astronomical data from comets and interstellar grains. To fully interpret results there must be convincing methods for associating a particular class or classes of meteoritic material with comets. Ultimately this will be done by direct comet sample return such as the Rosetta mission under development by ESA. At the present time the only links that can be made involve comparison with sample properties and measurable properties of comets. Unfortunately there is at present no known unique property of cometary dust that allows its absolute identification in the laboratory. The results from Halley encounters and observation do provide much new information on cometary grains. The Halley grain compositions, density, size distribution and scattering properties all provide a basis for future investigations. Other Halley properties such as the presence of polyoxymethylene and the 3.4um emission feature could play key roles for making convincing links in the future.

Brownlee, D. E.↗
NASA NTRS1999

Life: past, present and future

Molecular methods of taxonomy and phylogeny have changed the way in which life on earth is viewed; they have allowed us to transition from a eukaryote-centric (five-kingdoms) view of the planet to one that is peculiarly prokarote-centric, containing three kingdoms, two of which are prokaryotic unicells. These prokaryotes are distinguished from their eukaryotic counterparts by their toughness, tenacity and metabolic diversity. Realization of these features has, in many ways, changed the way we feel about life on earth, about the nature of life past and about the possibility of finding life elsewhere. In essence, the limits of life on this planet have expanded to such a degree that our thoughts of both past and future life have been altered. The abilities of prokaryotes to withstand many extreme conditions has led to the term extremophiles, used to describe the organisms that thrive under conditions thought just a few years ago, to be inconsistent with life. Perhaps the most extensive adaptation to extreme conditions, however, is represented by the ability of many bacteria to survive nutrient conditions not compatible with eukaryotic life. Prokaryotes have evolved to use nearly every redox couple that is in abundance on earth, filling the metabolic niches left behind by the oxygen-using, carbon-eating eukaryotes. This metabolic plasticity leads to a common feature in physically stratified environments of layered microbial communities, chemical indicators of the metabolic diversity of the prokaryotes. Such 'metabolic extremophily' forms a backdrop by which we can view the energy flow of life on this planet, think about what the evolutionary past of the planet might have been, and plan ways to look for life elsewhere, using the knowledge of energy flow on earth.

NASA Discipline Developmental Biology↗
DOE OSTI2024

Rewritable Surface‐Grafted Polymer Brushes with Dynamic Covalent Linkages

Abstract Surface grafting of polymer brushes drastically modifies surface properties, including wettability, compatibility, responsiveness, etc. A broad variety of functionalities can be introduced to the surface via different types of polymers. Bringing together properties of two or more types of polymer brushes to one surface opens up even more possibilities in brush‐modified materials. However, while it is generally feasible to introduce several chemical compositions along the brushes via copolymerization, it is challenging to vary the types of polymer brushes along a surface. Although previous studies have demonstrated binary brushes via orthogonal polymerization techniques or partial deactivation/regrafting, they commonly limit the number of polymer types to two. Here, we propose a strategy to introduce dynamic covalent diketoenamine linkages at the root of polymer brushes. The grafting density could be precisely tuned during surface functionalization. The surface‐anchored polymer brushes were cleaved by the addition of small molecule amines. New polymer brushes can be regrafted from the surface following refunctionalization of exposed sites. The maneuverability allows tuning of the types and densities of the polymer brushes, pointing the way to the preparation of a new generation of well‐defined brush‐modified materials with mixed grafts, with potential applications in the design of smart materials and surfaces.

Cui, Feichen↗
NASA NTRS1995

Sensor Systems for Space Life Sciences

Sensors 2000! (S2K!) is a NASA Ames Research Center engineering initiative designed to provide biosensor and bio-instrumentation systems technology expertise to NASA's life sciences spaceflight programs. S2K! covers the full spectrum of sensor technology applications, ranging from spaceflight hardware design and fabrication to advanced technology development, transfer and commercialization. S2K! is currently developing sensor systems for space biomedical applications on BION (a Russian biosatellite focused on Rhesus Monkey physiology) and NEUROLAB (a Space Shuttle flight devoted to neuroscience). It's Advanced Technology Development-Biosensors (ATD-B) project focuses efforts in five principle areas: biotelemetry Systems, chemical and biological sensors, physiological sensors, advanced instrumentation architectures, and data and information management. Technologies already developed and tested included, application-specific sensors, preamplifier hybrids, modular programmable signal conditioners, power conditioning and distribution systems, and a fully implantable dual channel biotelemeter. Systems currently under development include a portable receiver system compatible with an off-the-shelf analog biotelemeter, a 4 channel digital biotelemetry system which monitors pH, a multichannel, g-processor based PCM biotelemetry system, and hand-held personal monitoring systems. S2K! technology easily lends itself to telescience and telemedicine applications as a front-end measurement and data acquisition device, suitable for obtaining and configuring physiological information, and processing that information under control from a remote location.

Somps, Chris J.↗
DOE OSTI2020

Drought and plant litter chemistry alter microbial gene expression and metabolite production

Drought represents a significant stress to microorganisms and is known to reduce microbial activity and organic matter decomposition in Mediterranean ecosystems. However, we lack a detailed understanding of the drought stress response of microbial decomposers. Here we present metatranscriptomic and metabolomic data on the physiological response of in situ microbial communities on plant litter to long-term drought in Californian grass and shrub ecosystems. We hypothesised that drought causes greater microbial allocation to stress tolerance relative to growth pathways. In grass litter, communities from the decade-long ambient and reduced precipitation treatments had distinct taxonomic and functional profiles. The most discernable physiological signatures of drought were production or uptake of compatible solutes to maintain cellular osmotic balance, and synthesis of capsular and extracellular polymeric substances as a mechanism to retain water. The results show a clear functional response to drought in grass litter communities with greater allocation to survival relative to growth that could affect decomposition under drought. In contrast, communities on chemically more diverse and complex shrub litter had smaller physiological differences in response to long-term drought but higher investment in resource acquisition traits across precipitation treatments, suggesting that the functional response to drought is constrained by substrate quality. Our findings suggest, for the first time in a field setting, a trade off between microbial drought stress tolerance, resource acquisition and growth traits in plant litter microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Operando X-ray imaging reveals size-dependent evolution of cobalt oxide thermochemical material during thermal redox cycles

Multivalent metal oxides are promising thermochemical materials (TCMs) for energy storage and conversion owing to their high energy density, air compatibility, and high-temperature stability. Co 3 O 4 serves as a model system for examining particle-size- and structure-dependent redox behavior. While particle size and porosity are known to affect performance, their interplay and the kinetics of pore formation during cycling remain unclear. Here we show the chemical and 3D morphological evolution of Co 3 O 4 micro- and nanoparticles during redox cycles at 800–900 °C using thermal analysis, in-situ synchrotron transmission X-ray microscopy (TXM), and scanning electron microscopy. Thermal analysis shows that nanoparticles re-oxidize more rapidly than microparticles at 800 °C. In-situ nanotomography and chemical imaging reveals that nanoparticles undergo redox conversion without forming internal pores, whereas microparticles develop isolated porosity during reduction. These pores persist through re-oxidation, correlating to a lower conversion rate in subsequent cycles. Our results demonstrate distinct degradation kinetics in Co 3 O 4 micro- and nanoparticles, underscoring the critical role of particle size and porosity in redox performance and informing strategies to enhance the long-term efficiency of metal oxide TCMs.

25 ENERGY STORAGE↗