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DOE OSTI2023

Using Artificial Microstructures to Understand Microstructure Property Relationship-Toughening Mechanisms in Metallic Glass (Final Report)

Metallic glasses are a new class of structural materials which exhibit exciting mechanical properties including high strength and elasticity. In terms of fracture toughness, the material class of metallic glasses spans a wide range; Some metallic glasses are extremely brittle and exhibit near ideal brittle behavior whereas others can be exceptional tough with values comparable to the toughest metals out there. Such large range of observed fracture toughness within the material class of metallic glasses is surprising as they have seemingly a very similar atomic structure. Therefore, we developed “artificial microstructures” which allows to decouple the various contribution of sample geometry, imperfection and structure. Specifically, we decouple variations in the alloys’ chemical composition and the atomic structure and quantified the resulting fracture toughness. Atomic structure of a metallic glass can be modified by the fictive temperature. The fictive temperature of a glass is the temperature at which the liquid metallic glass falls out of equilibrium upon colling and forms a glass. Upon further cooling the structure is maintained only thermal oscillations decrease due to a lower absolute temperature. We found that the effect of fictive temperature (same chemistry, different structural stages of the glass) is comparable to the variations of fracture toughness when the chemistry is varied. Hence, it appears that the subtle differences in the glass structure are responsible for the large range of fracture toughness’s observed. Our results reveal that fracture toughness within the material class of metallic glasses varies significantly and we found some example alloys with exceptional high resistance to fracture and others that are almost ideally brittle. Significant influences on the fracture toughness have the structure of the glass, its chemistry, and some imperfections in the structure.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Exploiting correlations in multi-coincidence Coulomb explosion patterns for differentiating molecular structures using machine learning

Coulomb explosion imaging (CEI) is a powerful technique for capturing the real-time motion of individual atoms during ultrafast photochemical reactions. CEI generates high-dimensional data with naturally embedded correlations that allow mapping the coordinated motion of nuclei in molecules. This enables reliable separation of competing reaction pathways and makes this approach uniquely suited for characterizing weak reaction channels. However, rich information contained in experimental CEI patterns remains largely underexploited due to challenges in visualizing correlations between multiple observables in multi-dimensional parameter space. Here we present a new approach to CEI of intermediate-sized polyatomic molecules, detecting up to eight ionic fragments in coincidence and leveraging machine-learning-based analysis to identify patterns and correlations in the resulting high-dimensional momentum-space data, enabling robust molecular structure identification and differentiation. Our approach provides high-dimensional background-free data encoding exceptionally rich structural information and establishes an automated, scalable framework for extracting insightful information from the data. As a demonstration, we apply this method to image and distinguish dichloroethylene isomers, showcasing its potential for broader applications in molecular imaging. Our results pave the way for channel-specific analysis of ultrafast structural dynamics in chemically relevant systems, particularly for disentangling mixed reaction pathways and detecting contributions from weak channels and minority species.

Chemical Physics (physics.chem-ph)↗

NASA NTRS1979

To the solar foci

Earlier authors showed that the sun is likely to act as a lens for gravitational radiation, with focui in the outer solar system. They suggested that missions to these foci have the potential of directly measuring the density structure of the sun. Other applications include gravitational wave astronomy and tests of general relativity. This idea is reexamined, concentrating on the engineering aspects of focal missions; primarily spacecraft design and performance. Other topics studied include solar optics, gravitational wave detectors, navigation, and the design of missions for different purposes. Specifically, it is shown that shuttle launched chemical rockets have a substantial capability for reaching some foci; and that all can be reached with large payloads using nuclear isotope-electric propulsion.

Sonnabend, D.↗

NASA NTRS1980

Low thrust vehicle concept study

Low thrust chemical (hydrogen-oxygen) propulsion systems configured specifically for low acceleration orbit transfer of large space systems were defined. Results indicate that it is cost effective and least risk to combine the OTV and stowed spacecraft in a single 65 K Shuttle. The study shows that the engine for an optimized low thrust stage (1) does not require very low thrust; (2) 1-3 K thrust range appears optimum; (3) thrust transient is not a concern; (4) throttling probably not worthwhile; and (5) multiple thrusters complicate OTV/LSS design and aggravate LSS loads. Regarding the optimum vehicle for low acceleration missions, the single shuttle launch (LSS and expendable OTV) is most cost effective and least risky. Multiple shuttles increase diameter 20%. The space based radar structure short OTV (which maximizes space available for packaged LSS) favors use of torus tank. Propellant tank pressures/vapor residuals are little affected by engine thrust level or number of burns.

Source record↗

NASA NTRS1986

Search for volatiles in the surface of icy satellites

It is proposed to measure the reflectance spectra of the icy satellites of Jupiter, Saturn and Uranus in the spectral region 1.8 to 2.4 micrometers. These observations use the new Cooled Grating Array Spectrometer using a 32-element InSb photodiode array detector and produce spectra of higher resolution and precision than any data yet obtained; the ultimate scientific objective is to search for the signatures of methane clathrate, ammonium hydroxide or carbon monoxide clathrate (compounds predicted to exist on icy surfaces in the outer solar system by several theories of formation of these bodies) in the region of the spectrum where water ice has a relative maximum in reflectance. At the very least, these data will allow upper limits to be placed on the amount of these chemical species that can be present. The specific targets is Europa, Ganymede, Enceladus, Ariel and Titania, bodies that have the highest probability of having some or all of these volatiles on their surface according to current formation models.

Brown, R. H.↗

NASA NTRS1987

High temperature polymer matrix composites

With the increased emphasis on high performance aircraft the need for lightweight, thermal/oxidatively stable materials is growing. Because of their ease of fabrication, high specific strength, and ability to be tailored chemically to produce a variety of mechanical and physical properties, polymers and polymer matrix composites present themselves as attractive materials for a number of aeropropulsion applications. In the early 1970s researchers at the NASA Lewis Research Center developed a highly processable, thermally stable (600 F) polyimide, PMR-15. Since that time, PMR-15 has become commercially available and has found use in military aircraft, in particular, the F-404 engine for the Navy's F/A-18 strike fighter. The NASA Lewis'contributions to high temperature polymer matrix composite research will be discussed as well as current and future directions.

Meador, Michael A.↗

NASA NTRS1990

Compact scheme for systems of equations applied to fundamental problems of mechanics of continua

Compact scheme formulation was used in the treatment of boundary conditions for a system of coupled diffusion and Poisson equations. Models and practical solutions of specific engineering problems arising in solid mechanics, chemical engineering, heat transfer and fuid mechanics are described and analyzed for efficiency and accuracy. Only 2-D cases are discussed and a new method of numerical treatment of boundary conditions common in the fundamental problems of mechanics of continua is presented.

Klimkowski, Jerzy Z.↗

NASA NTRS1991

Investigation of radiative interactions in chemically reacting supersonic internal flows

Analyses and numerical procedures are presented to investigate the radiative interactions of absorbing-emitting species in chemically reacting supersonic flow in various ducts. Specific attention is directed in investigating the radiative contributions of H2O, OH, and NO under realistic physical and flow conditions. The radiative interactions in reacting flows are investigated by considering the supersonic flow of premixed hydrogen and air in a channel with a compression corner at the lower boundary. The results indicate that radiation can have significant influence on the flowfield and species production depending on the chemistry model employed.

Tiwari, S. N.↗

NASA NTRS1991

Charge exchange contamination of CRIT-II barium CIV experiment

Experiments have been recently performed which attempted to confirm critical ionization velocity (CIV) ionization by deploying chemicals at high velocity in the ionosphere. Specifically, the CRIT-II rocket performed a barium release in the ionosphere, where observations of Ba(+) resonant emissions following the release are believed to have resulted from the CIV process. Calculations are presented which suggest a significant fraction (if not all) of the Ba(+) observed likely resulted from charge exchange with the thermosphere ions and not through CIV processes. The results presented here are pertinent to other CIV experiments performed in the ionosphere. It is recommended that laboratory measurements should be made of the charge exchange cross section between O(+) and Ba as well as other metal vapors used in CIV experiments.

Swenson, G. R.↗

NASA NTRS1990

Lead-ruthenium pyrochlores as oxygen electrocatalysts

An investigation of lead-ruthenium pyrochlores of the structure Pb2(Ru/2-x/Pb/x/) O7-y for use as oxygen electrocatalysts in alkaline media is discussed. Lead-ruthenium pyrochlore mixed metal oxides were prepared and characterized by X-ray diffraction, BET surface area, dry powder conductivity, and chemical stability. Gas diffusion electrodes were developed specifically for the lead-ruthenium pyrochlore materials. Also investigated were the effects of varying electrode fabrication parameters on the oxygen reduction performance of the lead-ruthenium pyrochlore electrocatalyst. Long-term stability performance was also evaluated. The oxygen reduction performance of the pyrochlore electrocatalyst is considerably higher than that of the state-of-the-art gold-platinum alloy electrocatalyst currently used by NASA. Furthermore, the pyrochlore electrocatalysts are attractive candidates for high-performance pressurized alkaline fuel cells.

Anderson, E. B.↗

NASA NTRS1991

Intrusive and nonintrusive measurements of flow properties in arc jets

While numerous diagnostic techniques are available for determining the flow properties of arc jets, these have to be used complementarily in order to cover all the requisite information. Although intrusive techniques disturb the flow, they yield much information. The determination of total enthalpy remains a major challenge, and accurate heat-flux measurements entail knowledge of atom recombination and chemical energy recombination coefficients. Such state-specific methods as the spectroscopic and laser techniques are useful in understanding the chemistry and nonequilibrium reaction and excitation rates of the flow.

Scott, Carl D.↗

NASA NTRS1994

Chemical transitions for interstellar C2 and CN in cloud envelopes

Observations were made of absorption from CH, C2, and CN toward moderately reddened stars in Sco, OB2, Ceo OB3, and Taurus/Auriga. For these directions, most of the reddening is associated with a single cloud complex, for example, the rho Ophiuchus molecular cloud, and as a result, the observations probe moderately dense material. When combined with avaliable data for nearby directions, the survey provides the basis for a comprehensive analysis of the chemistry for these species. The chemical transitions affecting C2 and CN in cloud envelopes were analyzed. The depth into a cloud at which a transition takes place was characterized by tau(sub uv), the grain optical depth at 1000 A. One transition at tau(sub uv) approx. = 2, which arises from, the conversion of C(+) into CO, affects the chemistries for both molecules because of the key role this ion plays. A second one involving production terms in the CN chemistry occurs at tau(sub uv) of approx. = 3; neutral reactions which C2 and CH is more important at larger values for tau(sub uv). The transition from photodissociation to chemical destruction takes place at tau(sub uv) approx. = 4.5 for C2 and CN. The observational data for stars in Sco OB2, Cep OB3, and Taurus/Auriga were studied with chemical rate equations containing the most important production and destruction mechanisms. Because the sample of stars in Sco OB2 includes sight lines with A(sub v) ranging from 1-4 mag, sight lines dominated by photochemistry could be analyzed separately from those controlled by gas-phase destruction. The analysis yielded values for two poorly known rate constants for reactions involved in the production of CN; the reactions are C2 + N yields CN + C and C(+) + NH yields all products. The other directions were analyzed with the inferred values. The predicted column densities for C2 and CN agree with the observed values to better than 50%, and in most instances 20%. When combining the estimates for density and temperature derived from chemical modeling and molecular excitation for a specific cloud, such as the rho Ophiuchus molecular cloud, the portion of the cloud envelope probed by C2 and CN absorption was found to be in pressure equilibrium.

Federman, S. R.↗

NASA NTRS1996

Simultaneous Use Of Zr And Mg Anodes In XPS

Improved x-ray source for x-ray photoelectron spectroscopy (XPS) contains both zirconium anode with beryllium window and magnesium anode with aluminum window. Previously unresolvable peaks of electron-energy spectrum become resolvable. Developed specifically for use in analyzing distributions of chemical constituents in surface layers of specimens of 2219 aluminum alloy and in determining the depths of surface oxide layers and relative proportions of aluminum and oxide in layers. Also used to study chemical constituents of surface layers in other material systems - for example, thin oxide films on silicon-based semiconductor devices, oxide films on alloys, and surface layers affecting adhesion of paints or bonding materials.

Allgeyer, D. F.↗

NASA NTRS2003

Europa Science Platforms and Kinetic Energy Probes

This presentation will outline a proposed mission for the Jupiter Icy Moons Orbiter (JIMO). The mission outlined will concentrate on an examination of Europa. Some of the primary science goals for the JIMO mission are: 1) to answer broad science questions, 2) improved knowledge of Jovian system; specifically, lunar geological and geophysical properties, 3) chemical composition of Jovian lunar surfaces and subterranean matter, and 4) the search for life. In order to address these issues, the experiment proposed here will deploy orbiting, surface, and subterranean science platforms.

Hays, C. C.↗

NASA NTRS2003

Evidence that Polycyclic Aromatic Hydrocarbons in Two Carbonaceous Chondrites Predate Parent-Body Formation

Organic material in meteorites provides insight into the cosmochemistry of the early solar system. The distribution of polycyclic aromatic hydrocarbons (PAHs) in the Allende and Murchison carbonaceous chondrites was investigated using spatially resolved microprobe laser-desorption laser-ionization mass spectrometry. Sharp chemical gradients of PAHs are associated with specific meteorite features. The ratios of various PAH intensities relative to the smallest PAH, naphthalene, are nearly constant across the sample. These findings suggest a common origin for PAHs dating prior to or contemporary with the formation of the parent body, consistent with proposed interstellar formation mechanisms.

Plows, F. L.↗

NASA NTRS2004

A Robust and Engineerable Self-Assembling Protein Template for the Synthesis and Patterning of Ordered Nanoparticle Arrays

Self-assembling biomolecules that form highly ordered structures have attracted interest as potential alternatives to conventional lithographic processes for patterning materials. Here we introduce a general technique for patterning materials on the nanoscale using genetically modified protein cage structures called chaperonins that self-assemble into crystalline templates. Constrained chemical synthesis of transition metal nanoparticles is specific to templates genetically functionalized with poly-Histidine sequences. These arrays of materials are ordered by the nanoscale structure of the crystallized protein. This system may be easily adapted to pattern a variety of materials given the rapidly growing list of peptide sequences selected by screening for specificity for inorganic materials.

McMillan, R. Andrew↗

NASA NTRS2003

Advanced Food Technology Workshop Report

The Advanced Human Support Technology (AHST) Program conducts research and technology development to provide new technologies and next-generation system that will enable humans to live and work safely and effectively in space. One program element within the AHST Program is Advanced Life Support (ALS). The goal of the ALS program element is to develop regenerative life support systems directed at supporting National Aeronautics and Space Administration's (NASA) future long-duration missions. Such missions could last from months to years and make resupply impractical, thereby necessitating self-sufficiency. Thus, subsystems must be developed to fully recycle air and water, recover resources from solid wastes grow plants, process raw plant products into nutritious and palatable foods, control the thermal environment, while reducing the overall system mass. ALS systems will be a combination of physico-chemical and biological components depending on the specific mission requirements. In the transit vehicle, the food system will primarily be a prepackaged food system with the possible addition of salad crops that can be picked and eaten with limited preparation. On the lunar or planetary evolved base, the food system will be a combination of the prepackaged menu item and ingredients that are processed from the grown crops. Food processing and food preparation will be part of this food system.

Michele Perchonok↗

NASA NTRS2005

Aerogel Development

Aerogel is one of the most promising materials of the future. It's unique properties, including high porosity, transparency, very high thermal tolerance, and environmental friendliness give it the potential of replacing many different products used in society today. However, the market for aerogel is still very limited because of the cost of producing the material and its fragility. The principle objective of my project has been to find new ways to apply aerogel in order to increase its practicality and appeal to different aspects of society. More specifically, I have focused on finding different chemicals that will coat aerogel and increase its durability. Because aerogel is so fragile and will crumble under the pressure of most coatings this has been no easy task. However, by experimenting with many different coatings and combinations of aerogel properties, I have made several significant discoveries. Aerogel (ideally, high density and hydrophobic) can be coated with several acrylic polymers, including artist's gel and nail polish. These materials provide a protective layering around the aerogel and keep it from breaking as easily. Because fragility is one of the main reasons applications of aerogel are limited, these discoveries will hopefully aid in finding future applications for this extraordinary material.

Sahai, Rashmi K.↗