Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CHEMICAL COMPOSITION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multidimensional Diagnostics of the Interface Evolutions in Solid-State Lithium Batteries

All-solid-state lithium metal batteries hold tremendous potential as next-generation energy storage solutions. However, their performance is hindered by complex chemo-mechanical instabilities at the interface, which encompass electrolyte decomposition, loss of contact due to volume changes, and the growth of lithium filaments. Given the complexity of these failure mechanisms, it is imperative to employ multidimensional diagnostics that leverage a combination of tools capable of quantifying formed voids and filaments, identifying the chemical and mechanical properties of lithium dendrites and electrolyte decomposition products, as well as monitoring the evolution of these processes in situ. The primary objective of this project is to develop a comprehensive characterization platform for solid-state battery interfaces, integrating FIB-SEM tomography, ToF-SIMS, in-SEM nanoindentation, and in-SIMS AFM-based stiffness mapping to enable structural, chemical, and mechanical analyses. The project team has accomplished significant milestones, including: 1) The successful development of a characterization platform that combines FIB-SEM, ToF-SIMS, nanoindentation, and AFM. 2) The creation of solid-state cells at various scales. 3) Real-time visualization of the plating and stripping of lithium. 4) Operando analysis of the chemical composition and evolution of electrolyte decomposition products, encompassing intermediate and metastable species, at both the cathode and anode interfaces. 5) In situ analysis of mechanical properties coupled with chemical mapping. 6) The implementation of the multiscale characterization technique has yielded valuable insights into cell failure mechanisms and has led to the development of a solid-state lithium cell that exhibits exceptional durability, surpassing 2500 cycles. This project has resulted in 10 publications, 1 invention disclosure, 8 manuscripts under review or in preparation.

25 ENERGY STORAGE↗
NASA NTRS1980

Process modifications for improved carbon fiber composites: Alleviation of the electrical hazards problem

Attempts to alleviate carbon-fiber-composite electrical hazards during airplane crash fires through fiber gasification are described. Thermogravimetric and differential scanning calorimetric experiments found several catalysts that caused fibers to combust when composites were exposed to test fires. Composites were tested in the 'Burn-Bang' apparatus and in high voltage electrical detection grid apparatus. In a standard three minute burn test modified composites released no fibers, while state-of-the-art composites released several hundred fiber fragments. Expected service life with and without catalytic modification was studied and electron microscopy and X-ray microanalysis furnished physical appearance and chemical composition data. An acrylic acid polymer fiber coating was developed that wet the carbon fiber surface uniformly with the catalyst, providing a marked contrast with the uneven coats obtained by solution-dipping.

Ramohalli, K.↗
NASA NTRS1992

Cosmic ray composition investigations using ICE/ISEE-3

The analysis of data from the high energy cosmic experiment on ISEE-3 and associated modeling and interpretation activities are discussed. The ISEE-3 payload included two instruments capable of measuring the composition of heavy cosmic rays. The designs of these two instruments incorporated innovations which made it possible, for the first time, to measure isotopic as well as the chemical composition for a wide range of elements. As the result of the demonstrations by these two instruments of the capability to resolve individual cosmic ray isotopes, a new generation of detectors was developed using very similar designs, but having improved reliability and increased sensitive area. The composition measurements which were obtained from the ISEE-3 experiment are summarized.

Wiedenbeck, Mark E.↗
NASA NTRS2002

High-Temperature Gas Sensor Array (Electronic Nose) Demonstrated

The ability to measure emissions from aeronautic engines and in commercial applications such as automotive emission control and chemical process monitoring is a necessary first step if one is going to actively control those emissions. One single sensor will not give all the information necessary to determine the chemical composition of a high-temperature, harsh environment. Rather, an array of gas sensor arrays--in effect, a high-temperature electronic "nose"--is necessary to characterize the chemical constituents of a diverse, high-temperature environment, such as an emissions stream. The signals produced by this nose could be analyzed to determine the constituents of the emission stream. Although commercial electronic noses for near-room temperature applications exist, they often depend significantly on lower temperature materials or only one sensor type. A separate development effort necessary for a high-temperature electronic nose is being undertaken by the NASA Glenn Research Center, Case Western Reserve University, Ohio State University, and Makel Engineering, Inc. The sensors are specially designed for hightemperature environments. A first-generation high-temperature electronic nose has been demonstrated on a modified automotive engine. This nose sensor array was composed of sensors designed for hightemperature environments fabricated using microelectromechanical-systems- (MEMS-) based technology. The array included a tin-oxide-based sensor doped for nitrogen oxide (NOx) sensitivity, a SiC-based hydrocarbon (CxHy) sensor, and an oxygen sensor (O2). These sensors operate on different principles--resistor, diode, and electrochemical cell, respectively--and each sensor has very different responses to the individual gases in the environment. A picture showing the sensor head for the array is shown in the photograph on the left and the sensors installed in the engine are shown in the photograph on the right. Electronics are interfaced with the sensors for temperature control and signal conditioning, and packaging designed for high temperatures is necessary for the array to survive the engine environment.

Hunter, Gary W.↗
NASA NTRS2006

Comets, Asteroids, and the Origin of the Biosphere

During the past few decades, the role of comets in the delivery of water, organics, and prebiotic chemicals to the Biosphere of Earth during the Hadean (4.5-3.8 Ga) period of heavy bombardment has become more widely accepted. However comets are still largely regarded as frigid, pristine bodies of protosolar nebula material that are entirely devoid of liquid water and consequently unsuitable for life in any form. Complex organic compounds have been observed comets and on the water rich asteroid 1998 KY26, which has color and radar reflectivity similar to the carbonaceous meteorites. Near infrared observations have indicated the presence of crystalline water ice and ammonia hydrate on the large Kuiper Belt object (50000) Quaoar with resurfacing that may indicate cryovolcanic outgassing and the Cassini spacecraft has detected water-ice geysers on Saturn s moon Enceladus. Spacecraft observations of the chemical compositions and characteristics of the nuclei of several comets (Halley, Borrelly, Wild 2, and Tempel 1) have now firmly established that comets contain a suite of complex organic chemicals; water is the predominant volatile; and that extremely high temperatures (approx.350-400 K) can be reached on the surface of the very black (albedo-0.03) nuclei when the comets are with 1.5 AU from the Sun. Impact craters and pinnacles observed on comet Wild 2 suggest a thick crust and episodic outbursts and jets observed on the nuclei of several comets are interpreted as indications that localized regimes of liquid water and water vapor can periodically exist beneath the crust of some comets. The Deep Impact observations indicate that the temperature on the nucleus of of comet Tempel 1 at 1.5 AU varied from 330K on the sunlit side to a minimum of 280+/-8 K. It is interesting that even the coldest region of the comet surface was slightly above the ice/liquid water phase transition temperature. These results suggest that pools and films of liquid water can exist in a wide range of temperatures in cavities and voids at different depths just beneath the crust of a comet. The possibility that liquid water may exist over a wide range of temperatures on comets significantly enhances the possibility that these bodies may harbor niches suitable for microbial communities and ecosystems. Such niches would by ideal for the growth of psychrophilic, mesophilic, and possibly even thermophilic chemolithotrophs and photoautotrophs such as the motile filamentous cyanobacteria (e.g., Calothrix, Oscillatoria, Phormidium, and Spirulina) that can grow in geothermal springs and geysers at temperatures ranging from 320K to 345K and in cold polar desert soils. This paper reviews the observational data in support of the hypothesis that liquid water can exist in permafrost-like active regions just beneath the surface of comets when near perihelion and provides additional arguments in support of the hypothesis that comets, carbonaceous meteorites, and asteroids may have played a significant role in the origin and evolution of the Biosphere and in the distribution of microbial life throughout the Solar System.

Hoover, Richard B.↗
DOE OSTI2024

Machine-learning based approach to examine ecological processes influencing the diversity of riverine dissolved organic matter composition

Dissolved organic matter (DOM) assemblages in freshwater rivers are formed from mixtures of simple to complex compounds that are highly variable across time and space. These mixtures largely form due to the environmental heterogeneity of river networks and the contribution of diverse allochthonous and autochthonous DOM sources. Most studies are, however, confined to local and regional scales, which precludes an understanding of how these mixtures arise at large, e.g., continental, spatial scales. The processes contributing to these mixtures are also difficult to study because of the complex interactions between various environmental factors and DOM. Here we propose the use of machine learning (ML) approaches to identify ecological processes contributing toward mixtures of DOM at a continental-scale. We related a dataset that characterized the molecular composition of DOM from river water and sediment with Fourier-transform ion cyclotron resonance mass spectrometry to explanatory physicochemical variables such as nutrient concentrations and stable water isotopes ( 2 H and 18 O). Using unsupervised ML, distinctive clusters for sediment and water samples were identified, with unique molecular compositions influenced by environmental factors like terrestrial input and microbial activity. Sediment clusters showed a higher proportion of protein-like and unclassified compounds than water clusters, while water clusters exhibited a more diversified chemical composition. We then applied a supervised ML approach, involving a two-stage use of SHapley Additive exPlanations (SHAP) values. In the first stage, SHAP values were obtained and used to identify key physicochemical variables. These parameters were employed to train models using both the default and subsequently tuned hyperparameters of the Histogram-based Gradient Boosting (HGB) algorithm. The supervised ML approach, using HGB and SHAP values, highlighted complex relationships between environmental factors and DOM diversity, in particular the existence of dams upstream, precipitation events, and other watershed characteristics were important in predicting higher chemical diversity in DOM. Our data-driven approach can now be used more generally to reveal the interplay between physical, chemical, and biological factors in determining the diversity of DOM in other ecosystems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Rapid Measurements of Aerosol Ionic Composition and 3-10 nm Particle Size Distributions On The NASA P3 To Better Quantify Processes Affecting Aerosols Advected From East Asia

The Particle Into Liquid Sample (PILS) was deployed on the NASA P3 for airborne measurements of fine particle ionic chemical composition. The data have been quality assured and reside in the NASA data archive. We have analyzed our data to characterize the sources and atmospheric processing of fine aerosol particles advected from the region during the experiments. Fine particle water-soluble potassium was found to serve as a useful aerosol tracer for biomass smoke. Ratios of PILS potassium to sulfate are used as a means of estimating the percent contribution of biomass burning to fine particle mass in mixed plumes advecting from Asia. The high correlations between K+ and NO3(sup -) and NH4(sup +)' indicated that biomass burning was a significant source of these aerosol compounds in the region. It is noteworthy that the air mass containing the highest concentrations of fine particles recorded in all of ACE-Asia and TRACE-P appeared to be advecting from the Bejing/Tientsin urban region and also had the highest K(+), NO3(sup -) and NH4(sup +) concentrations of both studies. Based on K+/SO4(sup 2-) ratio's, we estimated that the plume was composed of approx. 60% biomass burning emissions, possibly from the use of bio-fuels in the urban regions.

Weber, Rodney J.↗
DOE OSTI2020

Eudicot Nutshells: Cell-Wall Composition and Biofuel Feedstock Potential

Nutshells are the recalcitrant and membranous layers that encompass and provide protection to the seed of a fruit. Rich in lignin, these are often waste products of the food industry and are a potential energy-dense feedstock for biorefineries to convert to biofuels. Here, assessing their potential requires an understanding of the relative amounts of cellulose, hemicelluloses, and lignin, the composition and structure of the lignin, and a saccharifiability assessment, all provided here. In the context of understanding the general character of phylogenetically diverse eudicot species, we provide a chemical analysis of the lignin in the shells of commonly eaten nuts and detail the chemical composition of their lignins. Particularly striking observations include the >40% levels of Klason lignins in the nutshells from macadamia, pecan, and Brazil nut and lignin compositions ranging from <1% syringyl (S) in macadamia to 77% S in pistachio and essentially 0% p-hydroxyphenyl (H) in mango to as high as 7.5% H in walnut. Novel units in the lignin polymer (such as the hydroxystilbenes recently discovered in macaúba and coconut shell lignins) were not evident in any of the samples, but the series provided such a range of compositions that it aided more detailed assignment.

NMR↗
NASA NTRS1972

Effect of chronic centrifugation on body composition in the rat.

Two groups of adult female rats were chronically centrifuged for 60 days (2.76 G, 4.15 G, controls at 1.00 G). Live weights of centrifugal rats decreased about 20 g (6%) per Delta 1 G above control. This weight loss comprised reductions in both body fat and fat-free body weight (FFBW) as determined by body-composition studies on eight rats per group killed at the end of centrifugation. Of nine components constituting the FFBW, only skeletal muscle, liver, and heart changed significantly in weight. Chemical composition showed reductions (compared with controls) in the fat fraction of most components and increases in the water fraction of liver and gut. Identical measurements were made on the remaining eight rats per group killed 43 days after return to 1 G. Neither centrifuged group had reached the control body-weight level at this time. No statistically significant effect of previous G level was found in any of the body-composition parameters. The possible involvment of physiological regulation was considered.

Pitts, G. C.↗
NASA NTRS1992

The cometary contribution to prebiotic chemistry

The chemical composition of cometary nuclei is examined to estimate the potential contribution of volatiles to the prebiotic earth from cometary collisions. Observations of cometary nuclei are reviewed to describe the chemical evolution of the objects and their theoretical potential for affecting the terrestrial environment. Specific attention is given to the plausibility of the single-impact formation of the earth-moon system, and experiments are proposed for testing the present theories. It is proposed that significant contributions of biogenic elements such as C, H, N, O, P, and S resulted from these nuclei colliding with the earth. Observations of the solar atmosphere and of the circumstellar shells of C-rich stars indicate that compounds such as CO, C2, and H2O were not pyrolyzed as a result of collision events. The compounds are theorized to have established the foundation for the abiotic synthesis of key biochemical molecules.

Oro, J.↗
NASA NTRS1992

Possible petrogenetic associations among igneous components in North Massif soils: Evidence in 2-4 mm soil particles from 76503

Studies of Apollo 17 highland igneous rocks and clasts in breccias from the North and South Massifs have described magnesian troctolite, norite, anorthositic gabbro, dunite, spinel cataclasites, and granulitic lithologies that may have noritic anothosite or anorthositic norite/gabbro as igneous precursors, and have speculated on possible petrogenetic relationships among these rock types. Mineral compositions and relative proportions of plagioclase and plagioclase-olivine particles in samples 76503 indicate that the precursor lithology of those particles were troctolitic anorthosite, not troctolite. Mineral and chemical compositions of more pyroxene-rich, magnesian breccias and granulites in 76503 indicate that their precursor lithology was anorthositic norite/gabbro. The combination of mineral compositions and whole-rock trace-element compositional trends supports a genetic relationship among these two groups as would result from differentiation of a single pluton. Although highland igneous lithologies in Apollo 17 materials have been described previously, the proportions of different igneous lithologies present in the massifs, their frequency of association, and how they are related are not well known. We consider the proportions of, and associations among, the igneous lithologies found in a North Massif soil, which may represent those of the North Massif or a major part of it.

Jolliff, Bradley L.↗
NASA NTRS2015

Design and Demonstration of the Mars Organic Molecule Analyzer (MOMA) on the ExoMars 2018 Rover

The Mars Organic Molecule Analyzer (MOMA) investigation is a key astrobiology experiment scheduled to launch on the joint ESA-Roscosmos ExoMars 2018 rover mission. MOMA will examine the chemical composition of geological samples acquired from depths of up to two meters below the martian surface, where fragile organic molecules may be protected from destructive cosmic radiation and/or oxidative chemical reactions. The heart of the MOMA mass spectrometer subsystem (i.e., MOMA-MS) is a miniaturized linear ion trap (LIT) that supports two distinct modes of operation to detect: i) volatile and semi-volatile, low-to-moderate mass organics (less than or equal to 500 Da) via pyrolysis coupled with gas chromatography mass spectrometry (pyr/GCMS); and, ii) more refractory, moderate-to-high mass compounds (up to 1000 Da) via laser desorption (LDMS) at ambient Mars pressures. Additionally, the LIT mass analyzer enables selective ion trapping via multi-frequency waveform ion excitation (e.g., stored waveform inverse Fourier transform, or SWIFT), and structural characterization of complex molecules using tandem mass spectrometry (MSIMS). A high-fidelity Engineering Test Unit (ETU) of MOMAMS, including the LIT subassembly, dual-gun electron ionization source, micropirani pressure gauge, solenoid-driven aperture valve, redundant detection chains, and control electronics, has been built and tested at NASA GSFC under relevant operational conditions (pressure, temperature, etc.). Spaceflight qualifications of individual hardware components and integrated subassemblies have been validated through vibration, shock, thermal, lifetime, and performance evaluations. The ETU serves as a pathfinder for the flight model buildup, integration and test, as the ETU meets the form, fit and function of the flight unit that will be delivered to MPS in late 2015. To date, the ETU of MOMA-MS has been shown to meet or exceed all functional requirements, including mass range, resolution, accuracy, instrumental drift, and Iimit-of-detection specifications, thereby enabling the primary science objectives of the MOMA investigation and ExoMars 2018 mission.

Mars Organic Molecule Analyzer↗
NASA NTRS2020

Isotopic and Microstructural Analyses of Opaque Mineral Assemblages and Their Alteration Products Hosted in a Refractory Inclusion

Calcium-aluminum-rich inclusions (CAIs) hosted in primitive meteorites are the oldest solids formed in the Solar System. Some CAIs contain metal nuggets that are complex assemblages of Fe-Ni alloys, along with rare ultra-refractory metals such as platinum group elements (PGEs), and their alteration products such as magnetite, sulfides, and phosphates. Three possible mechanisms proposed to explain the origin of these metal nuggets include condensation in circumstellar settings, condensation in the solar nebula within the CAI-forming region, or crystallization from immiscible metal-silicate melt. However, secondary alteration processes may have also affected some of these assemblages. Additionally, similar metal assemblages observed in chondrules and chondritic matrix indicate that all of these metal nuggets could share common high-temperature origins. These metal assemblages record early Solar System conditions that are reflected in their distinctive chemical composition, mineralogy and microstructures. Here we report a detailed mineralogical, microstructural and oxygen isotopic study of one such metal assemblage hosted in a CAI to understand the physical and chemical settings in which it formed.

Mane, P.↗
DOE OSTI2024

Integrating Machine Learning Potential and X-ray Absorption Spectroscopy for Predicting the Chemical Speciation of Disordered Carbon Nitrides

Precise determination of atomic structural information in functional materials holds transformative potential and broad implications for emerging technologies. Spectroscopic techniques, such as X-ray absorption near-edge structure (XANES), have been widely used for material characterization; however, extracting chemical information from experimental probes remains a significant challenge, particularly for disordered materials. We present an integrated approach that combines atomic simulations, data-driven techniques, and experimental measurements to investigate chemical speciation of amorphous carbon nitride systems as a case study. Here, we discuss the development of machine learning potentials that can efficiently explore the vast configuration space of amorphous carbon nitrides. By employing statistical methods, this structural database enables the elucidation of the most representative local structures and how they evolve with chemical compositions and density. Density functional theory simulations are used to establish a correlation between the local structure and spectroscopic signatures, which then serve as the basis for interpreting and extracting chemical content from experimental data. Although our framework is specifically demonstrated for XANES and carbon nitrides, the approach described herein is readily adaptable as applied to other experimental characterization probes and materials classes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Laser-Induced Trapping of Metastable Amorphous AlO x /C (2.5 < x ≤ 3.5) Nanocomposites: Implications for Use as Solid Phase Gas Generators

The synthesis of kinetically "frozen" metastable nanostructures remains elusive. This limitation has severely restricted the current paradigms in materials discovery. We overcame this challenge by phase-stabilizing unusually hyperoxidized and metastable amorphous aluminum oxide (a-AlO x ; 2.5 < x ≤ 3.5) nanostructures. Specifically, we employed laser ablation synthesis in solution (LASiS) as a one-pot nonequilibrium technique to achieve this pivotal advancement. Structural and compositional characterizations of the as-synthesized material reveal highly disordered a-AlO x nanoparticles that are remarkably stabilized by interfacial monolayers of ordered carbon atoms. Both structure and chemical composition were confirmed with disparate characterization methods at different length scales. The nanoparticles of sizes less than10 nm were stable even at elevated temperatures. Only at temperatures higher than 750 °C do the a-AlO x structures undergo a solid-solid phase transition that culminates in the formation of stable α-Al 2 O 3 while releasing excess trapped gases. In conclusion, such disruptive materials can find applications in emerging technologies seeking metastable phase-change materials for solid phase gas generators, batteries, neuromorphic computing, and energetic additives.

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

Prediction of structure and cation ordering in an ordered normal-inverse double spinel

Abstract Spinels represent an important class of technologically relevant materials, used in diverse applications ranging from dielectrics, sensors and energy materials. While solid solutions combining two “single spinels” have been explored in a number of past studies, no ordered “double” spinels have been reported. Based on our first principles computations, here we predict the existence of such a double spinel compound MgAlGaO 4 , formed by an equimolar mixing of MgAl 2 O 4 normal and MgGa 2 O 4 inverse spinels. After studying the details of its atomic and electronic structure, we use a cluster expansion based effective Hamiltonian approach with Monte Carlo simulations to study the thermodynamic behavior and cation distribution as a function of temperature. Our simulations provide strong evidence for short-ranged cation order in the double spinel structure, even at significantly elevated temperatures. Finally, an attempt was made to synthesize the predicted double spinel compound. Energy Dispersive X-ray Spectrometry and X-ray diffraction Rietveld refinements were performed to characterize the single-phase chemical composition and local configurational environments, which showed a favorable agreement with the theoretical predictions. These findings suggest that a much larger number of compounds can potentially be realized within this chemical space, opening new avenues for the design of spinel-structured materials with tailored functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multimodal X-ray nano-spectromicroscopy analysis of chemically heterogeneous systems

Abstract Understanding the nanoscale chemical speciation of heterogeneous systems in their native environment is critical for several disciplines such as life and environmental sciences, biogeochemistry, and materials science. Synchrotron-based X-ray spectromicroscopy tools are widely used to understand the chemistry and morphology of complex material systems owing to their high penetration depth and sensitivity. The multidimensional (4D+) structure of spectromicroscopy data poses visualization and data-reduction challenges. This paper reports the strategies for the visualization and analysis of spectromicroscopy data. We created a new graphical user interface and data analysis platform named XMIDAS (X-ray multimodal image data analysis software) to visualize spectromicroscopy data from both image and spectrum representations. The interactive data analysis toolkit combined conventional analysis methods with well-established machine learning classification algorithms (e.g. nonnegative matrix factorization) for data reduction. The data visualization and analysis methodologies were then defined and optimized using a model particle aggregate with known chemical composition. Nanoprobe-based X-ray fluorescence (nano-XRF) and X-ray absorption near edge structure (nano-XANES) spectromicroscopy techniques were used to probe elemental and chemical state information of the aggregate sample. We illustrated the complete chemical speciation methodology of the model particle by using XMIDAS. Next, we demonstrated the application of this approach in detecting and characterizing nanoparticles associated with alveolar macrophages. Our multimodal approach combining nano-XRF, nano-XANES, and differential phase-contrast imaging efficiently visualizes the chemistry of localized nanostructure with the morphology. We believe that the optimized data-reduction strategies and tool development will facilitate the analysis of complex biological and environmental samples using X-ray spectromicroscopy techniques.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Alha 81005 meteorite - Chemical evidence for lunar highland origin

During the 1981-82 expedition to Antarctica a one-ounce meteorite was found on the slopes of the Allan Hills Mountain. This meteorite, which was catalogued as ALHA 81005, had unusual characteristics and resembled the lunar highland rocks. In a preliminary study, it was found that the chemical composition of the bulk sample of the meteorite matched closely with the Apollo 15 15418 highland rock which Laul and Schmitt (1973) analyzed by instrumental neutron activation analysis (INAA). The chemical data obtained for the clast, matrix, and bulk material of the ALHA 81005 meteorite are listed in a table together with corresponding data for the Apollo 15 15418 highland rock and the Luna 16 21013 highland rock. The close agreement of the data for the meteorite and the two lunar rocks suggests strongly that the ALHA 81005 is of lunar highland origin.

Laul, J. C.↗