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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Understanding the Electronic Behavior of f-Element Intermetallics

Due to their partially filled f-orbitals, lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties. These materials provide a unique platform to explore exotic magnetic and quantum phenomena that arise from their strongly correlated f-electrons, offering insights into f-electron behavior. Incorporating light elements such as boron and carbon can significantly impact the electronic, chemical, and physical properties of these materials, with varying influence between lanthanides and actinides due to the more localized f-electrons in lanthanides. In this work, lanthanide-based intermetallic single crystals containing light atoms were synthesized using the molten metal flux growth method. In this method, one or more low-melting metals such as aluminum, gallium, tin, and bismuth are used in excess as the reaction medium. This solution-state approach allows for lower reaction temperatures compared to solid-state reactions and enables the isolation of kinetic products rather than thermodynamically stable compounds. The synthesized crystals were analyzed using an extensive array of analytical and computational characterization techniques, including single crystal X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, magnetization measurements, and density functional theory calculations. These analyses provided detailed insights into the structural and magnetic properties of the synthesized materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2025

An unexpectedly shrunken bandgap in V2O5 nanoparticles

Synchrotron x-ray spectroscopy was employed to determine the effects of nanostructuring on electronic band structure in V2O5, a promising cathode material and widely used catalyst. V2O5nanoparticle and bulk powders were characterized via P-XRD, electron microscopy, and diffuse reflectance ultraviolet/visible/near-infrared spectroscopy to confirm the optical bandgap. X-ray emission spectroscopy revealed the nanoparticle valence band O 2pstates to be upshifted relative to the bulk, while x-ray absorption spectroscopy and resonant inelastic x-ray scattering showed the lowest V 3dconduction band states to be static. Together, these changes (in conjunction with an increased density of unoccupied lower conduction band states) produce a shrunken bandgap in the V2O5nanoparticles that defies the Burstein-Moss effect. Changes in nanoparticle band structure are generally attributed to oxygen vacancy defects. While nanostructure bandgap reduction is in line with much previous computational work, it is unexpected from most previous experimental results. To our knowledge, this is the first synchrotron x-ray spectroscopy study of a shrunken bandgap achieved in pure V2O5nanoparticles.

Anquillare, E L↗
DOE OSTI2026

CHESS 2025: Field-collected vegetation attributes and site photos

This dataset represents field observations of vegetation samples collected as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Samples were collected in the field using tablet computers and digital forms, with target data differing by sample type (individual trees, individual shrubs, or 1-meter square plots of meadow and subshrub vegetation). Field samples were collected within 72 hours of airborne data collection using the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. Remote sensing data for the project is available on ESS-DIVE (DOI and citation to be added upon publication). Field data collected included canopy height and per-species horizontal proportional cover for meadow plots, species identity and height information for shrubs, as well as species identity, height, diameter at breast height, and health assessment information for trees. Photos of the focal site and surrounding landscape were taken for all sampling sites and are included in this archive. Green leaves or needles were collected for plant trait and foliar chemistry analysis. This data is archived separately (DOI and citation to be added upon publication). High-precision geospatial data for each sample (crown perimeter polygons for trees and shrubs, plot boundaries for meadow plots) is available here (Henderson et al., 2026). Field and remote sensing protocols largely followed those of a previous field and airborne imaging campaign performed in 2018 (described in Chadwick et al. 2020). Field data from the 2018 campaign can be found here (Chadwick et al., 2020 doi:10.15485/1618130). Because different field measurements were taken for meadow, shrub, and tree sites, data from these three sample types are archived as separate tables (chess_meadow_site_cleaned.csv, chess_shrub_site_cleaned.csv, chess_tree_site_cleaned.csv). Meadow proportional cover data is stored in a separate table (chess_meadow_cover_cleaned.csv). Taxonomy was treated identically between sample types, and the dataset shares a common set of voucher specimens (chess_voucher_IDs_cleaned.csv), as well as a single species list (chess_species_list_cleaned.csv). All taxonomic determinations were performed to the species level, and adhere to the Global Biodiversity Information Facility (GBIF) backbone taxonomy as of January 10th, 2026 (GBIF Secretariat 2023). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgment: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

2018 NEON and 2025 CHESS Campaigns↗
NASA NTRS2004

NASA Tech Briefs, August 2004

Topics covered include: Data Relay Board with Protocol for High-Speed, Free-Space Optical Communications; Software and Algorithms for Biomedical Image Data Processing and Visualization; Rapid Chemometric Filtering of Spectral Data; Prioritizing Scientific Data for Transmission; Determining Sizes of Particles in a Flow from DPIV Data; Faster Processing for Inverting GPS Occultation Data; FPGA-Based, Self-Checking, Fault-Tolerant Computers; Ultralow-Power Digital Correlator for Microwave Polarimetry; Grounding Headphones for Protection Against ESD; Lightweight Stacks of Direct Methanol Fuel Cells; Highly Efficient Vector-Inversion Pulse Generators; Estimating Basic Preliminary Design Performances of Aerospace Vehicles; Framework for Development of Object-Oriented Software; Analyzing Spacecraft Telecommunication Systems; Collaborative Planning of Robotic Exploration; Tools for Administration of a UNIX-Based Network; Preparing and Analyzing Iced Airfoils; Evaluating Performance of Components; Fuels Containing Methane of Natural Gas in Solution; Direct Electrolytic Deposition of Mats of MnxOy Nanowires; Bubble Eliminator Based on Centrifugal Flow; Inflatable Emergency Atmospheric-Entry Vehicles; Lightweight Deployable Mirrors with Tensegrity Supports; Centrifugal Adsorption Cartridge System; Ultrasonic Apparatus for Pulverizing Brittle Material; Transplanting Retinal Cells using Bucky Paper for Support; Using an Ultrasonic Instrument to Size Extravascular Bubbles; Coronagraphic Notch Filter for Raman Spectroscopy; On-the-Fly Mapping for Calibrating Directional Antennas; Working Fluids for Increasing Capacities of Heat Pipes; Computationally-Efficient Minimum-Time Aircraft Routes in the Presence of Winds; Liquid-Metal-Fed Pulsed Plasma Thrusters; Personal Radiation Protection System; and Attitude Control for a Solar-Sail Spacecraft.

Source record↗
NASA NTRS1975

Composition of the Martian dust as derived by infrared spectroscopy from Mariner 9

The Martian dust spectra obtained by the infrared interferometer spectrometer (Iris) experiment on Mariner 9 have been compared with modeling computations for various minerals and rocks. The model used was based upon a recently developed theory of absorption and scattering by particulate materials. The results indicate that the composition of Martian dust is biased toward silicate structures which involve a high degree of silicate oxygen sharing. A feldspar-rich dust of approximately 1-micron particle size appears to be the best candidate, although sheet-structure silicates cannot be ruled out.

Aronson, J. R.↗
DOE OSTI2025

Incubating advances in integrated photonics with emerging sensing and computational capabilities

As photonic technologies grow in multidimensional aspects, integrated photonics holds a unique position and continuously presents enormous possibilities for research communities. Applications include data centers, environmental monitoring, medical diagnosis, and highly compact communication components, with further possibilities continuously growing. Herein, we review state-of-the-art integrated photonic on-chip sensors that operate in the visible to mid-infrared wavelength region on various material platforms. Among the different materials, architectures, and technologies leading the way for on-chip sensors, we discuss the optical sensing principles that are commonly applied to biochemical and gas sensing. Our focus is on passive optical waveguides, including dispersion-engineered metamaterial-based structures, which are essential for enhancing the interaction between light and analytes in chip-scale sensors. We harness a diverse array of cutting-edge sensing technologies, heralding a revolutionary on-chip sensing paradigm. Our arsenal includes refractive-index-based sensing, plasmonics, and spectroscopy, which forge an unparalleled foundation for innovation and precision. Furthermore, we include a brief discussion of recent trends and computational concepts, incorporating Artificial Intelligence & Machine Learning (AI/ML) and deep learning approaches over the past few years to improve the qualitative and quantitative analysis of sensor measurements.

Jain, Sourabh (ORCID:0000000279923275)↗
NASA NTRS1997

AB Initio Study of the Structure and Spectroscopic Properties of Halogenated Thioperoxy Radicals

Thioperoxy (XSO or XOS) radicals exist in a variety of chemical environments, and they have as a consequence drawn some interest. HSO, an important species in the chemistry of the troposphere, has been examined both experimentally. The halogenated (X = F, Cl or Br) peroxy species and isovalent thioperoxy species have been studied less, but they too are potentially interesting because oxidized sulfur species and halogen sources are present in the atmosphere. Learning the fate of XSO and XOS radicals is important to understanding the atmospheric oxidation chemistry of sulfur compounds. Of these, FSO and ClSO are particularly interesting because they have been directly detected spectroscopically. Recent studies in our laboratory on the photochemistry of thionyl halides (X2SO; where X = F or Cl) have suggested new ways to generate XSO species. The laser-induced photodissociation of thionyl fluoride, F2SO, at 193 nm and thionyl chloride, ClSO, at 248 nm is characterized by a radical mechanism, X2SO -> XSO + X. The structure of FSO has been characterized experimentally by Endo et cd. employing microwave spectroscopy. Using the unrestricted Hartree-Fock (UHF) self-consistent field (SCF) method, Sakai and Morokuma computed the electronic structure of the ground (sup 2)A" and the first excited (sup 2)A' states of FSO. Electron correlation was not taken into account in their study. In a laser photodissociation experiment, Huber et al. identified ClSO mass spectromctrically. ClSO has also been detected in low temperature matrices by EPR and in the gas phase by far IR laser magnetic resonance. Although the structure of FSO is known in detail, the only study, experimental or theoretical, of CISO has been an ab initio HFSCF study by Hinchliffe. Electron correlation corrections were also excluded from this study. In order to better understand the isomerization and dissociation dynamics of the radical species, we have performed ab initio correlated studies of the potential energy surfaces (PES) of ClSO and its isomer ClOS at the QCISD(T)/6-31 G* level of theory. For FSO and FOS, more extensive QCISD/6-31 1G(2df) calculations have been possible, and the results are summarized here.

Munoz, Luis A.↗
NASA NTRS2012

Analysis of Pulsed Lidar Measurements of Atmospheric CO2 Column Absorption During the ASCENDS 2009-2011 Airborne Campaigns

We have developed a pulsed lidar technique for measuring the tropospheric CO2 concentrations as a candidate for NASA's ASCENDS mission and have demonstrated the CO2 and O2 measurements from aircraft. Our technique uses two pulsed lasers allowing simultaneous measurement of a single CO2 absorption line near 1572 nm, O2 extinction in the Oxygen A-band, surface height and backscatter profile. The lasers are stepped in wavelength across the CO2 line and an O2 line doublet during the measurement. The column densities for the CO2 and O2 are estimated from the differential optical depths (DOD) of the scanned absorption lines via the IPDA technique. For the 2009 ASCENDS campaign we flew the CO2 lidar on a Lear-25 aircraft, and measured the absorption line shapes of the CO2 line using 20 wavelength samples per scan. Measurements were made at stepped altitudes from 3 to 12.6 km over the Lamont OK, central Illinois, North Carolina, and over the Virginia Eastern Shore. Although the received signal energies were weaker than expected for ASCENDS, clear CO2 line shapes were observed at all altitudes. Most flights had 5-6 altitude steps with 200-300 seconds of recorded measurements per step. We averaged every 10 seconds of measurements and used a cross-correlation approach to estimate the range to the scattering surface and the echo pulse energy at each wavelength. We then solved for the best-fit CO2 absorption line shape, and calculated the DOD of the fitted CO2 line, and computed its statistics at the various altitude steps. We compared them to CO2 optical depths calculated from spectroscopy based on HITRAN 2008 and the column number densities calculated from the airborne in-situ readings. The 2009 measurements have been analyzed and they were similar on all flights. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. They showed the expected nearly the linear dependence of DOD vs altitude. The measurements showed ~ 1 ppm random errors for 8-10 km altitudes and ~30 sec averaging times. For the 2010 ASCENDS campaigns we flew the CO2lidar on the NASA DC-8 and added an 02lidar channel. During July 2010 we made measurements of CO2 and O2 column absorption during longer flights over Railroad Valley NV, the Pacific Ocean and over Lamont OK. CO2 measurements were made with 30 steps/scan, 300 scans/sec and improved line resolution and receiver sensitivity. Analysis of the 2010 CO2 measurements shows the expected ~linear change of DOD with altitude. For measurements at altitudes> 6 km the random errors were 0.3 ppm for 80 sec averaging times. For the summer 2011 ASCENDS campaigns we made further improvements to the lidar's CO2 line scan and receiver sensitivity. We demonstrated measurements over the California Central Valley, to stratus cloud tops over the Pacific Ocean, over mountain regions with snow, and over several areas with broken clouds. Details of the lidar measurements and their analysis will be described in the presentation.

Abshire, J. B.↗
NASA NTRS2011

Structure of 2,4-Diaminopyrimidine - Theobromine Alternate Base Pairs

We report the structure of clusters of 2,4-diaminopyrimidine with 3,7-dimethylxanthine (theobromine) in the gas phase determined by IR-UV double resonance spectroscopy in both the near-IR and mid-IR regions in combination with ab initio computations. These clusters represent potential alternate nucleobase pairs, geometrically equivalent to guanine-cytosine. We have found the four lowest energy structures, which include the Watson-Crick base pairing motif. This Watson-Crick structure has not been observed by resonant two-photon ionization (R2PI) in the gas phase for the canonical DNA base pairs.

Gengeliczki, Zsolt↗
NASA NTRS2012

Pulsed Lidar Measurements of Atmospheric CO2 Column Absorption and Range During the ASCENDS 2009-2011 Airborne Campaigns

We have developed a pulsed lidar technique for measuring the tropospheric CO2 concentrations as a candidate for NASA's ASCENDS mission and have demonstrated the CO2 and O2 measurements from aircraft. Our technique uses two pulsed lasers allowing simultaneous measurement of a single CO2 absorption line near 1572 nm, O2 extinction in the Oxygen A-band, surface height and backscatter profile. The lasers are stepped in wavelength across the CO2 line and an O2 line doublet during the measurement. The column densities for the CO2 and O2 are estimated from the differential optical depths (DOD) of the scanned absorption lines via the IPDA technique. For the 2009 ASCENDS campaign we flew the CO2 lidar only on a Lear-25 aircraft, and measured the absorption line shapes of the CO2 line using 20 wavelength samples per scan. Measurements were made at stepped altitudes from 3 to 12.6 km over the Lamont OK, central Illinois, North Carolina, and over the Virginia Eastern Shore. Although the received signal energies were weaker than expected for ASCENDS, clear C02 line shapes were observed at all altitudes. Most flights had 5-6 altitude steps with 200-300 seconds of recorded measurements per step. We averaged every 10 seconds of measurements and used a cross-correlation approach to estimate the range to the scattering surface and the echo pulse energy at each wavelength. We then solved for the best-fit CO2 absorption line shape, and calculated the DOD of the fitted CO2 line, and computed its statistics at the various altitude steps. We compared them to CO2 optical depths calculated from spectroscopy based on HITRAN 2008 and the column number densities calculated from the airborne in-situ readings. The 2009 measurements have been analyzed in detail and they were similar on all flights. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. They showed the expected nearly the linear dependence of DOD vs altitude. The measurements showed -1 ppm random errors for 8-10 km altitudes and -30 sec averaging times. For the 2010 ASCENDS campaigns we flew the CO2 lidar on the NASA DC-8 and added an O2 lidar channel. During July 2010 we made measurements of CO2 and O2 column absorption during longer flights over Railroad Valley NV, the Pacific Ocean and over Lamont OK. CO2 measurements were made with 30 steps/scan, 300 scans/sec and improved line resolution and receiver sensitivity. Analysis of the 2010 CO2 measurements shows the expected -linear change of DOD with altitude. For measurements at altitudes> 6 km the random errors were 0.3 ppm for 80 sec averaging times. For the summer 2011 ASCENDS campaigns we made further improvements to the lidar's CO2 line scan and receiver sensitivity. The seven flights in the 2011 Ascends campaign were flown over a wide variety of surface and cloud conditions in the US, which produced a wide variety of lidar signal conditions. Details of the lidar measurements and their analysis will be described in the presentation.

Abshire, J. B.↗
NASA NTRS1997

Shoemaker-Levy 9 and Plume-Forming Collisions on Earth

Computational models for the July, 1994 collision of comet Shoemaker Levy 9 with Jupiter have provided a framework for interpreting the observational data. Imaging, photometry, and spectroscopy data from ground-based, Hubble Space Telescope, and Galileo spacecraft instruments are consistent with phenomena that were dominated by the generation of incandescent fireballs that were ballistically ejected to high altitudes, where they formed plumes that subsequently collapsed over large areas of Jupiter's atmosphere. Applications of similar computational models to collisions into Earth's atmosphere show that a very similar sequence of events should take place for NEO impacts with energies as low as 3 megatons, recurring on 100 year timescales or less. This result suggests that the 1908 Tunguska event was a plume-forming atmospheric explosion, and that some of the phenomena associated with it might be related to the ejection and collapse of a high plume. Hazards associated with plume growth and collapse should be included in the evaluation of the impact threat to Earth, and opportunities should be sought for observational validation of atmospheric impact models by exploiting data already being collected from the natural flux of multikiloton to megaton sized objects that constantly enter Earth's atmosphere on annual to decadal timescales.

Boslough, Mark B. E.↗
NASA NTRS2023

The Nature of Insoluble Organic Matter in Sutter’s Mill and Murchison Carbonaceous Chondrites: Testing the Effect of X-ray Computed Tomography (XCT) and Exploring Parent Body Organic Molecular Evolution

This study analyzed samples of the Murchison and Sutter’s Mill carbonaceous chondrite meteorites in support of the future analysis of samples returned from the asteroid (10155) Bennu by the OSIRIS-REx (Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer) mission. Focusing specifically on the insoluble organic matter (IOM), this study establishes that a total of 1.3 g of bulk sample from a single chondritic meteorite is sufficient to obtain a wide range of cosmochemical information, including light element analysis (H, C, and N), isotopic analysis (D/H, 13 C/ 12 C, and 15 N/ 14 N), and X-ray fluorescence spectroscopy for major elemental abundances. IOM isolated from the bulk meteorite samples was analyzed by light element and isotopic analysis as described above, 1 H and 13 C solid-state nuclear magnetic resonance spectroscopy, Raman spectroscopy, and complete noble gas analyses (abundances and isotopes). The samples studied included a pair from Murchison (CM2), one of which had been irradiated with high-energy X-rays in the course of computed tomographic imaging. No differences between the irradiated and non-irradiated Murchison samples were observed in the many different chemical and spectroscopic analyses, indicating that any X-ray–derived sample damage is below levels of detection. Elemental, isotopic, and molecular spectroscopic data derived from IOM isolated from the Sutter’s Mill sample reveals evidence that this meteorite falls into the class of heated CM chondrites.

planetary science↗
DOE OSTI2025

Polarization-dependent resonant inelastic x-ray scattering of β-Ga2O3: An experimental and computational study

The bulk electronic structure of β-Ga2O3 single crystals was investigated using oxygen K-edge x-ray emission and absorption spectroscopy as well as resonant inelastic soft x-ray scattering. Spectra were obtained for different orientations of the crystal planes with respect to the polarization vector of the incident x-ray beam. The spectra are analyzed with calculations based on density functional theory and using the Bethe–Salpeter equation in the ocean code to take the core–hole interaction into account. These calculations correctly capture all the main features in the experimental spectra, demonstrating the potential of the approach to predict the electronic properties of similar compounds. We find a pronounced anisotropy as a function of the excitation polarization vector and significant differences in the spectral contributions from the inequivalent oxygen atoms of β-Ga2O3.

Pyatenko, Elizaveta↗
DOE OSTI2026

Phenomenological opportunities at the EIC

This review presents a comprehensive overview of key phenomenological opportunities at the future Electron–Ion Collider (EIC), synthesizing discussions and collaborative research efforts developed within the Korean EIC community and the EICφ collaboration. We explore a diverse range of physics topics central to the EIC scientific program, including the multidimensional tomography of nucleon and nuclear structure, precision Quantum Chromodynamics studies through jet physics and event-shape observables, heavy quarkonium production as a probe of partonic dynamics, and the spectroscopy of exotic hadrons. Furthermore, we discuss the transformative potential of emerging technologies—specifically Machine Learning and Quantum Computing—as essential tools for addressing the computational challenges and maximizing the scientific discovery potential of the EIC era.

Electron–Ion collider↗
NASA NTRS1999

Focused Experimental and Analytical Studies of the RBCC Rocket-Ejector

The rocket-ejector mode of a Rocket Based Combined Cycle Engine (RBCC) was studied through a joint experimental/analytical approach. A two-dimensional variable geometry rocket-ejector system with enhanced optical access was designed and fabricated for experimentation. The rocket-ejector system utilizes a single two-dimensional gaseous oxygen/gaseous hydrogen rocket as the ejector. To gain a systematic understanding of the rocket ejector's internal fluid mechanic/combustion phenomena, experiments were conducted with both direct-connect and sea-level static configurations for a range of rocket operating conditions Overall system performance was obtained through Global measurements of wall static pressure profiles, heat flux profiles and engine thrust, whereas detailed mixing and combustion information was obtained through Raman spectroscopy measurements of major species (gaseous oxygen, hydrogen. nitrogen and water vapor). These experimental efforts were complemented by Computational Fluid Dynamic (CFD) flowfield analyses.

Lehman, M.↗
NASA NTRS2016

Green Monopropellant Status at Marshall Space Flight Center

NASA Marshall Space Flight Center is continuing investigations into the use of green monopropellants as a replacement for hydrazine in spacecraft propulsion systems. Work to date has been to push technology development through multiple activities designed to understand the capabilities of these technologies. Future work will begin to transition to mission pull as these technologies are mature while still keeping a solid goal of pushing technology development as opportunities become available. The AF-M315E activities began with hot-fire demonstration testing of a 1N monopropellant thruster in FY 14 and FY15. Following successful completion of the preliminary campaign, changes to the test stand to accommodate propellant conditioning capability and better control of propellant operations was incorporated to make testing more streamlined. The goal is to conduct hot-fire testing with warm and cold propellants using the existing feed system and original thruster design. Following the 1N testing, a NASA owned 100 mN thruster will be hot-fire tested in the same facility to show feasibility of scaling to smaller thrusters for cubesat applications. The end goal is to conduct a hot-fire test of an integrated cubesat propulsion system using an SLM printed propellant tank, an MSFC designed propulsion system electronic controller and the 100 mN thruster. In addition to the AF-M315E testing, MSFC is pursuing hot-fire testing with LMP-103S. Following our successful hot-fire testing of the 22N thruster in April 2015, a test campaign was proposed for a 440N LMP-103S thruster with Orbital ATK and Plasma Processes. This activity was funded through the Space Technology Mission Directorate (STMD) ACO funding call in the last quarter of CY15. Under the same funding source a test activity with Busek and Glenn Research Center for testing of 5N AF-M315E thrusters was proposed and awarded. Both activities are in-work with expected completion of hot-fire testing by the end of FY17. MSFC is continuing to coordinate with the AF and academia on understanding the chemical reactions that occur in AF-M315E. An on-going investigation of the catalyst bed species using Raman Spectroscopy through the NASA Technology Research Fellowship Program (NSTRF) is looking for ways to minimize the amount of computation required by understanding the intermediate species created in the catalyst bed. The MSFC team is also working with commercial partners through Cooperative Agreement Notices (CAN's). Partnerships with commercial and academia include work in non-catalytic ignition of AF-M315, spark ignition of hybrid cubesat systems, printed SLM tanks, and dual-mode (electric and chemical) propulsion systems is continuing.

Burnside, Christopher G.↗
NASA NTRS1982

Laboratory molecular spectroscopy

The precision required in making spectroscopic measurements is discussed. Remarks are directed specifically to vibration-rotation spectra rather than continuum absorptions. The ultimate precision that is required for line positions is related to the width of the lines which may be no narrower than the Doppler width. The spectroscopic methods considered are those which are of the most general value to the astronomers; those which acquire and can handle large volumes of spectra in digital form, or in a form which is compatible with computer analysis, and in a form which is at least internally consistent. The use of dye laser, grating instruments, and the most versatile instrument for laboratory spectroscopy, the Fourier transform spectrometer is discussed.

Margolis, J.↗
DOE OSTI2025

Quantitative Determination of Electronic Effects in Free Radicals through Open-Shell Hammett Substituent Constants

Hammett substituent constants (σ), which quantify the electronic effects of functional groups, are widely used for predicting the properties of organic compounds and investigating reaction mechanisms. While these values have been obtained for a wide range of closed-shell substituents, measurements of analogous values for open-shell substituents are rare due to challenges associated with their short lifetimes. Here, in this report, we developed a combined experimental and computational approach for quantifying the electronic properties of open-shell substituents based on changes in nitrile vibrational frequencies (ν(C≡N)). By coupling pulse radiolysis and time-resolved infrared spectroscopy (PR-TRIR), we measured ν(C≡N) IR bands of 30 para - and meta -substituted benzonitriles bearing C-, N-, and S-centered radicals. A linear scaling relationship was obtained between these experimental values and values obtained from DFT calculations. Using these computed values, two different Hammett constants, σ m , and σ p + , were determined for a series of C-, N-, O-, S-, Si-, and B-centered radicals. The differences between σm and σp+ values enable the separate evaluation of inductive and resonance effects in these open-shell substituents. The results suggest that there are three classes of radicals: one is electron withdrawing (σ m , σ p + > 0), one is electron donating (σm, σp+ < 0), and one is inductively withdrawing but resonance donating (σ m > 0, σ p + < 0). Our study represents a general approach to the analysis of the electronic properties of open-shell species and has potential applications in a wide range of molecular processes involving free radical intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗