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At least 685 records · Page 38

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NASA NTRS1978

Airborne infrared astronomical observations by Fourier transform spectroscopy

Infrared spectroscopic observations from NASA-operated aircraft constitute a rapidly maturing application of FTS methods initially developed for ground-based telescopes. Coupled to airborne telescopes up to 36 in. in diameter, these experiments are now producing new astronomical results as exciting and unexpected as those derived from Connes's first high resolution planetary observations at mountain-top observatories. This review examines the special problems of the IR spectral region that led to aircraft observatories and includes a brief survey of the facilities themselves and their modes of operation. The special problems of operating FTS devices on aircraft and the scientific results achieved with current capabilities are discussed. Finally, airborne observations are compared to the ultimate in high-altitude observing platforms: earth-orbiting cooled and uncooled telescopes carried by the Space Shuttle vehicle.

Larson, H. P.↗

DOE OSTI2024

New Constraints on the Melting Temperature and Phase Stability of Shocked Iron up to 270 GPa Probed by Ultrafast X-Ray Absorption Spectroscopy

Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth’s inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues. Here, we present a study on shock compressed iron up to 270 GPa and 5800 K probed by single-pulse (100 ps FWHM) x-ray absorption spectroscopy (XAS). Based on the analysis of the XAS spectra, we provide structural identification and bulk temperature measurements along the Hugoniot up to the melting. These results rule out the predicted transition to a high-temperature bcc phase and allow one to discriminate among existing equations of state models and melting curves. In particular, we report the first bulk temperature measurement in shock compressed iron on the melting plateau at 240(20) GPa and 5345(600) K. The melting curve resulting from our work extrapolates to a temperature of 6202(514) K at 330 GPa and represents a refined upper bound for the ICB temperature. Published by the American Physical Society 2024

Balugani, S.↗

DOE OSTI2025

VUV Photoionization Dynamics and Reactivity of Heterogeneous Water Clusters

This feature focuses on bridging isolated water and bulk water studies. It assembles experiments and theory on water clusters, mainly probed by vacuum ultraviolet (VUV) radiation, and summarizes what the effects are of intermolecular interactions on both the spectroscopy and the VUV-induced processes in water. In particular, it highlights studies of heterogeneous water clusters─those incorporating other molecular species such as naphthalene, methane, formic acid, and glycerol─which serve as model systems to investigate the fundamental roles of water in hydrogen bonding networks, proton transfer, and astrochemical processes. These mixed clusters provide a platform to revisit the stability of protonated water clusters and compile observations of ionization-induced structural rearrangements and fragmentation, especially in systems involving hydroxyl-rich cosolvents. This feature then explores energy transfer mechanisms in molecular clusters, following VUV photoexcitation. It concludes with potential future directions. First, we investigate excited-state dynamics in molecular clusters through direct probing, complementing the synchrotron studies discussed here. Second, exploring gas-phase molecule evaporation from confined spaces and interfaces using advanced spectroscopic techniques sheds light on these ubiquitous, yet currently debated, molecular processes.

Cluster chemistry↗

DOE OSTI2024

Insights into Sustainable Nitrogen Fixation by Gas-phase Spectroscopic Measurements and Global Modeling of Reaction Intermediates in Humid Nitrogen Plasma

In this article, there is growing interest in reacting molecular nitrogen and water to sustainably synthesize fixed forms of nitrogen such as ammonia. In particular, low-temperature plasmas can activate these relatively inert feedstocks at or near room temperature without a catalyst. However, because of the enhanced reactivity and nonequilibrium chemistry, a diverse range of products is formed, and the underlying reaction mechanisms are exceedingly complex. In this work, we studied a simplified reactor consisting of a gaseous plasma containing controlled mixtures of nitrogen gas and water vapor. Densities of key chemical species such as N, H, OH, NH, and NO were measured by emission and laser-based spectroscopy as a function of the relative humidity. A global model was constructed and the reaction network was validated by comparing calculated species densities with experiments. We discover that N, a key initial intermediate for ammonia, strongly decreases in the presence of water vapor, and as a result, ammonia formation becomes limited at high relative humidity. This decrease is surprisingly not because N itself reacts, but because one of its main sources, an excited molecular nitrogen state, is reacted away. In addition, oxidation pathways for nitrogen, which lead to NO and related products, are found to be favored over reduction pathways because the corresponding reverse reactions are less significant. Together, this understanding helps explain previously reported observations of selectivity toward nitrogen oxides over ammonia, particularly at higher relative humidities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Out-of-equilibrium charge redistribution in a copper-oxide based superconductor by time-resolved X-ray photoelectron spectroscopy

Charge-transfer excitations are of paramount importance for understanding the electronic structure of copper-oxide based high-temperature superconductors. In this study, we investigate the response of a Bi 2 Sr 2 CaCu 2 O 8+δ crystal to the charge redistribution induced by an infrared ultrashort pulse. Element-selective time-resolved core-level photoelectron spectroscopy with a high energy resolution allows disentangling the dynamics of oxygen ions with different coordination and bonds thanks to their different chemical shifts. Our experiment shows that the O 1s component arising from the Cu–O planes is significantly perturbed by the infrared light pulse. Conversely, the apical oxygen, also coordinated with Sr ions in the Sr-O planes, remains unaffected. This result highlights the peculiar behavior of the electronic structure of the Cu–O planes. It also unlocks the way to study the out-of-equilibrium electronic structure of copper-oxide-based high-temperature superconductors by identifying the O 1s core-level emission originating from the oxygen ions in the Cu–O planes. This ability could be critical to gain information about the strongly-correlated electron ultrafast dynamical mechanisms in the Cu–O plane in the normal and superconducting phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Chemical and morphological evolution of hybrid conversion coatings in low-Earth orbit space environment

Understanding how protective coatings respond to the harsh low-Earth orbit (LEO) environment is essential for ensuring the safety, longevity, and cost-effectiveness of spacecraft. In particular, identifying environmentally friendly, non-chromate alternatives that can maintain performance under such conditions has both technological and regulatory significance. This study investigates the environmental stability of zirconium-based hybrid conversion coatings with Cu additives (Cu10 and Cu20) applied to cold-rolled steel, tested in the Materials International Space Station Experiment (MISSE) outside the International Space Station (ISS). Chemical and morphological analyses were carried out using a combination of electron microscopy and X-ray spectroscopy techniques, including scanning electron microscopy (SEM), scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy (STEM-EDS), X-ray photoelectron spectroscopy (XPS), and X-ray absorption near-edge structure (XANES) spectroscopy. After exposure outside the ISS, all coatings remained structurally intact, with all exhibiting a uniform Zr-rich matrix and embedded Cu-rich clusters, while a thin Si-rich surface layer developed from interaction with space environments. Depth-resolved XPS showed a layered structure with CuO on the surface, Cu 2 O, and partial Zr(IV) reduction near Cu-rich sites, evidence of Atomic Oxygen (AO)-driven surface oxidation. These results demonstrate that Cu–Zr coatings maintain their chemical integrity and microstructure in harsh space environments, offering a non-chromate alternative for long-term aerospace protection. These insights provide valuable guidance for developing next-generation protective coatings that combine environmental sustainability with the reliability required for future aerospace and orbital applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Insights into the laser-assisted photoelectric effect from solid-state surfaces

Photoemission from a solid surface provides a wealth of information about its electronic structure and dynamic evolution. Ultrafast pump-probe experiments offer real-time access to photon-surface interactions and the resulting electron dynamics. Here, we present a femtosecond time-resolved photoelectron spectroscopy study of laser-assisted photoemission (LAPE) from two different metal surfaces, tungsten and platinum. Utilizing synchronized IR laser and x-ray pulses, photoelectron sideband generation up to the sixth order is observed. A significant material-dependent variation of the LAPE response has not been predicted by previous theoretical models, to the best of our knowledge. The observed phenomena are semiquantitatively reproduced by considering distinct dynamic dielectric responses of the two materials. In conclusion, these findings provide a deeper understanding of the LAPE process and insights into the dynamic interplay between optical laser fields and metal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

MapsTorch : automatic differentiation for X-ray fluorescence data analysis

X-ray fluorescence (XRF) is a popular spectroscopy technique for elemental analysis. Spectrum fitting and parameter tuning are at the core of XRF analysis and are conventionally manually intensive, especially for synchrotron experiments involving large amounts of diverse samples. This work introduces the automatic differentiation (AD) technique to XRF and an open-source package called MapsTorch. By transforming an analytical model of the XRF spectrum into a differentiable computation graph with AD, MapsTorch enables robust optimization of parameters and elemental intensities. We evaluate MapsTorch by conducting computational experiments on a large number of historical synchrotron XRF datasets and compare its performance with the currently practiced fitting tool NLopt. The results show that MapsTorch consistently achieves high-quality fits and often leads to better fitting quality than NLopt, particularly in tasks such as initial spectrum fitting and elemental intensity refinement. The robust performance of MapsTorch paves the way for developing automated and high-throughput XRF data analysis workflows to handle the increasing data volumes expected from next-generation synchrotron facilities.

X-ray fluorescence↗

NASA NTRS1971

Some new satellite sensors and applications.

It would appear that over the next few years general diagnostic space exploration by satellite-borne conventional sensors will be well on its way under the sponsorship of many nations. It is the objective of this paper to review two new sensor developments and an application program. The first sensor (the photopolarimeter) makes use of polarized light to determine unique signatures ranging from aerosols to signatures for surface moisture. The second sensor (the correlation interferometer) makes use of absorption spectroscopy to detect anomalous gas concentrations and will be used to explore the CO sink problem, significant in pollution. In the applications area, some demonstration experiments in the general area of space processing, scheduled for the remaining Apollo flights, are described. If successfull, these experiments will give some indication of typical products which could be produced cost effectively in space.

Steg, L.↗

NASA NTRS2009

Extraterrestrial Radiation Chemistry and Molecular Astronomy

Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.

Hudson, Reggie L.↗

NASA NTRS2014

Volume Measurements of Laser-generated Pits for in Situ Geochronology Using KArLE (Potassium-Argon Laser Experiment)

KArLE (Potassium-‐Argon Laser Experiment) has been developed for in situ planetary geochronology using the K - Ar (potassium-‐argon) isotope system, where material ablated by LIBS (Laser-‐Induced Breakdown Spectroscopy) is used to calculate isotope abundances. We are determining the accuracy and precision of volume measurements of these pits using stereo and laser microscope data to better understand the ablation process for isotope abundance calculations. If a characteristic volume can be determined with sufficient accuracy and precision for specific rock types, KArLE will prove to be a useful instrument for future planetary rover missions.

French, R. A.↗

NASA NTRS1982

Time-resolved spectroscopy of solid poly/1-vinyl naphthalene/ following electron beam pulse radiolysis - Pulse radiolytic studies on polymers

Transient emission studies following pulse radiolysis of solid poly(1-vinyl naphthalene) show existence of excited monomers and two excimers. Quenching experiments indicate that excimers are not formed directly by recombination of ions but probably by trapping of migrating monomeric excitation in preformed traps whose density is approximately one in 1000.

Coulter, D. R.↗

NASA NTRS1990

High resolution spectroscopy to support atmospheric measurements

Detailed knowledge of the molecular spectra of ozone and other infrared-active atmospheric species is needed for accurate calculation of atmospheric heating and cooling rates in climate models. Remote sensing experiments on the Nimbus-7 satellites and the Spacelab-3 Space Shuttle Mission have shown that space-based measurements of infrared absorption or emission can be used to accurately determine the concentrations and distributions of stratospheric species on a global scale. The objective of this research task is to improve knowledge of the spectroscopic line parameters (positions, intensities, assignments, halfwidths, and pressure-induced shifts) of key atmospheric constituents through laboratory measurements.

Smith, Mary Ann H.↗

NASA NTRS2000

Evidence that the reactivity of the martian soil is due to superoxide ions

The Viking Landers were unable to detect evidence of life on Mars but, instead, found a chemically reactive soil capable of decomposing organic molecules. This reactivity was attributed to the presence of one or more as-yet-unidentified inorganic superoxides or peroxides in the martian soil. Using electron paramagnetic resonance spectroscopy, we show that superoxide radical ions (O2-) form directly on Mars-analog mineral surfaces exposed to ultraviolet radiation under a simulated martian atmosphere. These oxygen radicals can explain the reactive nature of the soil and the apparent absence of organic material at the martian surface.

long duration↗

NASA NTRS2017

Detached Melt and Vapor Growth of InI in SUBSA Furnace

Indium iodide (InI) is a promising wide energy band gap nuclear detector material. It is ideal for space experiments because it is non-toxic and has a relatively low melting point of only 351 degrees Centigrade. However, it has been established that melt-grown crystals contain a large amount of second phase inclusions/precipitates. The typical size of inclusions are 1 to 27 microns in diameter, while the volume fraction of all sizes is 300 to 600 parts per million. The SEM-EDS (Scanning Electron Microscopy / Energy Dispersive X-Ray Spectroscopy) analysis of the inclusions has revealed that they all contain oxygen and some contain carbon. At present, under sponsorship of NASA and CASIS (Center for the Advancement of Science in Space), we are conducting ground-based experiments with InI in preparation for the flight experiments to be conducted in the SUBSA (Solidification Using a Baffle in Sealed Ampoules) furnace in the Microgravity Science Glovebox at the International Space Station, planned for the summer/fall of 2017. Earth-based experiments include melt and vapor growth conducted in the SUBSA ground unit, measurements of the volumetric expansion coefficient of the melt, and measurements of the wetting angle of molten InI. Finite element modeling has been conducted to optimize the design of the flight ampoules. Alloying with Tl and Ga has given promising results.

Ostrogorsky, A. G.↗

NASA NTRS2003

Response Surface Methods for Spatially-Resolved Optical Measurement Techniques

Danehy, P. M.↗

NASA NTRS2003

Response Surface Methods For Spatially-Resolved Optical Measurement Techniques

Response surface methods (or methodology), RSM, have been applied to improve data quality for two vastly different spatially-resolved optical measurement techniques. In the first application, modern design of experiments (MDOE) methods, including RSM, are employed to map the temperature field in a direct-connect supersonic combustion test facility at NASA Langley Research Center. The laser-based measurement technique known as coherent anti-Stokes Raman spectroscopy (CARS) is used to measure temperature at various locations in the combustor. RSM is then used to develop temperature maps of the flow. Even though the temperature fluctuations at a single point in the flowfield have a standard deviation on the order of 300 K, RSM provides analytic fits to the data having 95% confidence interval half width uncertainties in the fit as low as +/- 30 K. Methods of optimizing future CARS experiments are explored. The second application of RSM is to quantify the shape of a 5-meter diameter, ultra-lightweight, inflatable space antenna at NASA Langley Research Center. Photogrammetry is used to simultaneously measure the shape of the antenna at approximately 500 discrete spatial locations. RSM allows an analytic model to be developed that describes the shape of the majority of the antenna with an uncertainty of 0.4 mm, with 95% confidence. This model would allow a quantitative comparison between the actual shape of the antenna and the original design shape. Accurately determining this shape also allows confident interpolation between the measured points. Such a model could, for example, be used for ray tracing of radio-frequency waves up to 95 GHz. to predict the performance of the antenna.

Danehy, P. M.↗

NASA NTRS2018

Microgravity Experiments of Solid Waste Conversion into Useful Commodities

This Summer I participated in two projects at Kennedy Space Center in Cape Canaveral, Florida. The projects focus on the NASA's Deep Space Gateway applications for future Mars travel. All of these projects use recycling technology to use resources found on Earth and on other planets for fuel and other environmental applications. The first project I took the lead on is â€œPlasma Arc Gasification.â€ Plasma is a high temperature and very efficient way to process waste to create usable byproducts. The plasma chamber in temperature is comparable to that of the sun and this energy will help create an environment in which the waste can be recycled properly for not only plant support, but also for possible fuel application as well. I preformed the tests in a quartz tube, which is used to hold the waste (cotton, plastics, nylon, paper and a human waste simulant) and the waste is then combusted using O2 (present in air) into gases such as H2, H2O, CH4 and CO2. I determined which gases are present using a Fourier-transform infrared spectroscopy (FTIR) machine, which analyzes the peaks of the gases using liquid nitrogen. Problems arose in the beginning from the reactor emitting electromagnetic waves (EMI) that interfered with the technology of the experiment, specifically the thermocouples. This was solved through multiple tests with the positioning of the thermocouple power supply further away from the plasma reactor. I worked with another intern, Daniel Santander, who developed a space plant chamber which uses CO2 and H2O (harvested from the plasma reactor) to grow plants in space. The chamber possess a CO2 monitor, which controls the amount of gas that enters the chamber, along with a water integration system to supply the amount of water needed for proper plan growth. This technology will then be used for plant growth in space for the Astronauts on future space flights and possibly on the International Space Station (ISS). The second project I worked on is the â€œOrbital Syngas / Commodity Augmentation Reactor (OSCAR)â€ which focuses on the issues experienced in long-duration space flight regarding waste disposal. In previous space flight missions, waste was stored on board and returned to Earth for disposal. This technique is not applicable to long space flight missions to Mars due to the rocket being months away from Earth. OSCAR is using microgravity waste disposal techniques to produce fuels from the recycled waste. The waste is converted to syngas through a thermal degradation process. This process helps create an environmentally friendly way to dispose and reuse trash on board the space craft. Currently waste is being tested in the form of cotton and plastics. OSCAR is designed as a microgravity reactor that is currently being tested in a drop tower rig at Glenn Research Center. I helped design the 3D model for the insulation that will line the reactor. The first few trials, I dissolved the plastic of the mold in acetone. This method worked, but was very costly. I then received a silicone material to construct the mold from Swamp Works here at Kennedy. Through multiple trials with the silicone, this method worked best for developing the end pieces of the insulation for the chamber.

Plasma↗