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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tailored Frequency Conversion in Nonlinear Subwavelength Grating Metaslabs

The use of metaslab waveguides consisting of subwavelength gratings (SWGs) is proposed as a highly flexible approach to obtain phase‐matched frequency conversion in nonlinear integrated devices. Control over the phase matching (PM) condition is achieved through modification of the linear modal propagation constants by the SWG. The method is experimentally demonstrated by fabrication of 0.4 mm‐long GaAs metaslabs designed for second harmonic generation of near‐infrared light. A controlled spectral shift of up to 100 nm in the PM condition, relative to a uniform slab is observed. Excellent agreement is found between the experimental results and finite‐difference eigenmode simulations, which predict a tunable frequency conversion bandwidth of ∼300 nm for the design parameters. The different regimes of PM control supported by the structure are discussed. This work highlights the potential of SWGs as building blocks for tailored frequency conversion in nonlinear integrated devices.

Form birefringence↗
DOE OSTI2025

Energy Transfer Mechanisms in Large Low-Bandgap Polymers from Time-Resolved Experiments and Nonadiabatic Molecular Dynamics Calculations

Conjugated polymers offer unprecedented chemical tunability for modulating energy transfer in a multitude of infrared light applications. In this work, we use a combination of time-resolved spectroscopic experiments and nonadiabatic molecular dynamics calculations to probe the photochemistry and nonradiative transitions in a recently synthesized narrow bandgap donor–acceptor conjugated polymer based on alternating cyclopentadithiophene and electronegative benzothiadiazole heterocycles. Using large-scale semi-empirical nonadiabatic molecular dynamics, which can treat a large 260-atom hexamer, we calculate an S 5 → S 1 lifetime of 34.75 fs, which is consistent with our time-resolved spectroscopic data. Our simulations suggest that vibronic motions of the central carbons in the cyclopentadithiophene functional groups are predominantly involved in the nonradiative transitions, and the excitation becomes more localized on a monomer fragment over time. The combined use of time-resolved experiments and nonadiabatic molecular dynamics calculations in this work provides mechanistic insight into chemical functionalities that can be tuned to enhance energy transfer in other prospective low-bandgap polymer materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Demonstration of Capture, Cooling, Tagging, and Spectroscopic Characterization of UV Photoproduct Ions in a Cryogenic Ion Trap: Application to 266 nm Photofragment Ions from Rhodamine 6G

We demonstrate a method to determine the structures of the primary photodissociation products from a cryogenically cooled parent ion. In this approach, a target ion is cooled by a pulse of buffer gas and tagged in a 20 K Paul trap. The cold ion is then photodissociated by pulsed (~5 ns) UV laser excitation, and the ionic products are trapped, cooled, and tagged by introduction of a second buffer gas pulse in the same trap. The tagged fragments are then ejected into a triple focusing, UV/vis/IR time-of-flight photofragmentation mass spectrometer which yields vibrational and electronic spectra of the mass-selected photofragments. Furthermore, these methods are demonstrated by application to the 266 nm photodissociation of the Rhodamine 6G cation to yield the R575 fragment ion based on loss of ethene as well as to a weaker secondary fragment arising from loss of m/z 43.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Activation, Dehydrogenation, and Carbon–Carbon Coupling of Methane by Iridium Cations Studied by Infrared Multiple Photon Dissociation Spectroscopy and Density Functional Theory

Products resulting from the sequential activation of one, two, three, and four methane molecules by atomic iridium cations were characterized by gas-phase infrared multiple photon dissociation spectroscopy and density functional theory (DFT) calculations. Iridium cations were generated using a laser ablation source and reacted with methane in a linear radiofrequency ion trap before mass analysis and spectroscopic interrogation in a Fourier transform ion cyclotron resonance mass spectrometer coupled to the free-electron laser for intracavity experiments (FELICE) beamline. Product ions were irradiated using infrared light over the 250–1500 cm –1 range. Comparisons between the experimental and DFT-calculated spectra enabled structural determination of the products formed. The observed products include HIrCH + , Ir(CH 2 ) 2 + , H s Ir(C 3 H 5 ) + , and Ir(CH 3 ) s (C 3 H 5 ) + , where the subscript s denotes a syn orientation of the two ligands. Furthermore, formation of the latter two products provides evidence for efficient C–H bond activation and subsequent C–C coupling on the atomic iridium cation.

Chemical reactions↗
DOE OSTI2025

Cryogenic Vibrational Spectroscopy of the Deprotonated Dimer of Phosphoric Acid

Phosphate-containing molecules are ubiquitous in nature, where they play crucial roles in biochemical processes. Further, they are of technical importance, for example, in certain batteries and in fuel cells, where a unique property of phosphoric acid is exploited its exceptionally high proton conductivity. Proton transport in phosphoric acid is known to involve proton shuttling; however, the elementary steps involved are not clear. To elucidate the hydrogen bonding preferences of phosphoric acid, we investigate the dihydrogen phosphate anion as well as the deprotonated dimer of phosphoric acid (H 3 PO 4 ·H 2 PO 4 − ) in the gas phase using infrared action spectroscopy in helium nanodroplets and infrared D 2 -tagging photodissociation spectroscopy, and the experimental spectra are compared to theoretical ones. Theory finds for H 3 PO 4 ·H 2 PO 4 − two different structures that are predicted to be nearly isoenergetic. The comparison to the experimental spectra, however, allows for a clear assignment and structure identification. The resulting structure has an interesting binding motif, which might be of relevance to interactions of phosphoric acid in the condensed phase and which can serve as a benchmark for quantum chemical calculations.

Chemical structure↗
DOE OSTI2025

In Situ Atmospheric Plume Thermometry via Carbon Monoxide Spectral Profile: Laboratory and Field Validation

For small molecules with large rotational constants, knowing the relative intensities of the ro-vibrational transitions can be used to determine the temperature within a gas plume. We demonstrate the use of carbon monoxide (CO) as an in situ spectroscopic probe of gas plume temperature by application of both laboratory and standoff Fourier transform infrared spectroscopy to monitor the CO spectral response at different temperatures. Here, the measured CO rotational contours were analyzed using a simple Boltzmann model to deduce the population distribution of the J-levels, from which the in-plume temperature is deduced. The method was vetted by comparing deduced temperatures in both static laboratory measurements of known temperatures, as well as field measurements using a simulated smokestack release. For the smokestack experiments, spectroscopically deduced temperatures were compared to readings from a series of thermocouples placed at strategically sampled distances along the plume trajectory. Both the spectroscopically-derived and thermocouple-measured temperatures revealed an expansion-induced (mixing) rapid cooling of the plume, with the infrared thermometry values displaying greater temperature values which are believed to better represent the actual plume temperatures.

Analysis of rotational structure↗
DOE OSTI2025

Giant Enhancement of Four-Wave Mixing by Doubly Zone-Folded Nonlocal Metasurfaces

Resonant optical metasurfaces hold promise for enhancing nonlinear optical signals and manipulating their fundamental properties. However, they rarely excel at amplifying signals from nonlinear processes with two incident pump beams, such as four-wave mixing (FWM) or sum-frequency generation. Frequency-mixing experiments impose challenging requirements for metasurface design due to the need to support multiple optical resonances with compatible field profiles at specified resonant wavelengths, often across a substantial spectral separation. Here, in this work, we introduce nonlocal ‘quadromer’ metasurfaces containing four nanostructures per unit cell as the key to unlocking configurable, multiresonant metasurfaces that enhance frequency-mixing processes. As a proof of concept, we experimentally demonstrate enhanced FWM using quadromer metasurfaces made of silicon and silicon-rich silicon nitride. The results are relevant for applications such as imaging of infrared light upconverted into the visible spectrum and the generation of quantum light via spontaneous FWM.

four-wave mixing↗
DOE OSTI2025

Probing autoionization decay lifetimes of the 4d−16ℓ core-excited states in xenon using attosecond noncollinear four-wave-mixing spectroscopy

The decay of core-excited states is a sensitive probe of autoionization dynamics and correlation effects in many-electron systems, occurring on ultrafast timescales. Xenon, with its dense manifold of autoionizing resonances that can be coupled with near-infrared light, provides a platform to investigate these processes. In this work, the autoionization decay lifetimes of 4d-16ℓ (ℓ = s, p, d, …) core-excited states in xenon atoms are probed with extreme ultraviolet (XUV) attosecond noncollinear four-wave-mixing (FWM) spectroscopy. The 4d{5/2,3/2}-16p XUV-bright states (optically dipole-allowed) exhibit decay lifetimes of ∼6 fs, which is consistent with spectator-type decay. In contrast, the 4d{5/2,3/2}-16s and 4d{5/2,3/2}-16d XUV-dark states (optically dipole forbidden) show longer decay lifetimes of ∼20 fs. Photoionization calculations confirm that all core-hole states with 4d character should decay via spectator channels in ≤6 fs, suggesting that the apparently longer dark-state decay times arise from an alternative mechanism. A few-level simulation of the FWM process shows that the inclusion of a nearby, longer-lived dark state can mimic the experimental FWM signal, suggesting population cycling with a second electronic state with non-4d character. Ab initio calculations support the presence of such multielectron excited states in the 60-70 eV range. These results demonstrate that FWM signals can encode coupled-state dynamics when probing complex systems, highlighting the importance of combining theoretical and experimental approaches to disentangle accurate core-level decay pathways and lifetimes.

Puskar, Nicolette G↗
DOE OSTI2025

Hybrid chemical characterization of latent images in EUV resist with 12 nm half-pitch features

With the advancement of high numerical aperture extreme ultraviolet (EUV) lithography, the new platform will enable chipmakers to achieve critical dimensions of 8 nm. However, resist materials face significant challenges in delivering increased sensitivity while managing rising stochastic variations. We aim to develop comprehensive techniques to characterize the chemical profile of latent images, stored in EUV resists after exposure and postexposure baking, which is essential for understanding the origin of stochastic effects. Infrared photo-induced force microscopy (IR PiFM) is a bimodal atomic force microscopy technique combined with an infrared light source, allowing for simultaneous sub-5 nm topographic and chemical characterization within a localized environment. Critical-dimension resonant soft X-ray scatterometry (CD-RSoXS) provides statistical data that reveal structural and chemical information for comparative analysis. For the first time, IR PiFM has been used to chemically map the latent images of EUV resists (after exposure and postexposure baking) at a record high resolution of 12 nm half-pitch, enabling nondestructive analysis of patterns prior to development. Furthermore, CD-RSoXS offers direct experimental observation and comparison of exposed, postexposure baked, and developed patterns, which align with the IR PiFM results. We demonstrate that the IR PiFM technique offers valuable insights into both high spatial resolution and local chemical information simultaneously. In addition, CD-RSoXS provides statistical results that support our main findings. This hybrid metrology approach leverages a multifaceted dataset by combining the most reliable information from each source, which is essential for a comprehensive understanding of the stochastic effects in EUV lithography processes.

O’Reilly, Padraic↗
DOE OSTI2024

Conversion Of Coal To Li-Ion Battery Grade (Potato) Graphite (Final Technical Report)

It was previously shown that biomass could be readily transformed to Li-ion battery grade graphite with performance that is equivalent to commercial graphite. This project extended that result to lignite coal, an abundant and inexpensive resource in the United States. It was found that lignite from North Dakota (ND), following charring and exposure to near-infrared light from a laser in the presence of an iron metal catalyst, graphitizes with high yield, crystallinity and purity. Furthermore, spheroidal (“potato”) shaped graphite agglomerates can be produced from ND lignite with performance that rivals that of commercial graphite. Finally, the process was found to be potentially economical, to that extent that it may be able to disrupt the current market, if the laboratory results obtained under this project can be successfully translated to industrial scale.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Understanding spectral dependance of laser-induced damage precursors in dielectric materials (Full report_23-ERD-006)

The performance of high-energy laser systems is constrained by laser-induced damage in dielectric coatings, particularly those containing hafnium oxide (HfO 2 ). While thresholds at fundamental Nd harmonics are well studied, the spectral dependence of damage initiation—especially under dual-wavelength irradiation—remains poorly characterized. This project provides the first systematic investigation of wavelength-dependent laser damage in hafnia coatings, focusing on nanoscale precursors such as craze lines, nanobubbles, stoichiometric variations, nodules, and controlled crystallization. Coatings were fabricated via ion beam sputtering and electron-beam deposition and characterized using spectrophotometry, ellipsometry, AFM, GI-XRD, RBS, PCI absorption, and fs/ns laser damage testing. Results show that craze lines, benign under infrared light, strongly initiate damage under UV due to wavelength-selective field intensification. Substituting xenon for argon suppresses nanobubbles and improves UV thresholds by up to 32%. Oxygen modulation reveals that fully oxidized films maximize UV resistance, though at the cost of porosity and stress in multilayers. HfO 2 –SiO 2 composites resist crystallization and defects while achieving ppm-level absorption and elevated thresholds, whereas full crystallization of HfO 2 enhances LIDT by reducing defects and improving thermal transport. Collectively, these findings link photon energy, defect states, and bandgap collapse, providing a predictive framework for wavelength-dependent laser damage. The outcomes directly inform the design of durable, multi-wavelength coatings for facilities such as NIF, MEC, HAPLS, and DPAL, advancing the readiness of next-generation optics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Kilonovae and Long-duration Gamma-Ray Bursts

Recent detections of kilonova-like emission following long-duration gamma-ray bursts GRB 211211A and GRB 230307A have been interpreted as originating from the merger of two neutron stars. In this work, we demonstrate that these observations are also consistent with nucleosynthesis originating from a collapsar scenario. Our model is capable of reproducing the observed optical and infrared light curves using a single, weak r-process component. The absence of lanthanide-rich material in our model, consistent with the data, challenges the prevailing interpretation that a red evolution in such transients necessarily indicates the presence of heavy r-process elements.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1970

Aerial photography for sensing plant anomalies

Changes in the red tonal response of Kodak Ektrachrome Infrared Aero 8443 film (EIR) are often incorrectly attributed solely to variations in infrared light reflectance of plant leaves, when the primary influence is a difference in visible light reflectance induced by varying chlorophyll contents. Comparisons are made among aerial photographic images of high- and low-chlorophyll foliage. New growth, foot rot, and boron and chloride nutrient toxicites produce low-chlorophyll foliage, and EIR transparency images of light red or white compared with dark-red images of high-chlorophyll foliage. Deposits of the sooty mold fungus that subsists on the honeydew produced by brown soft scale insects, obscure the citrus leaves' green color. Infected trees appear as black images on EIR film transparencies compared with red images of healthy trees.

Gausman, H. W.↗
NASA NTRS1978

Mutual phenomena of Jupiter's five inner satellites in 1979

In this paper, we first predict eclipses and occultations of the Galilean satellites in 1979 and find that, although circumstances are generally poor, about 75 events are observable. We have then made a special point of including 40 eclipses of J5 (Amalthea) by the Galilean satellites in the hope that both visual and far-infrared light curves can be obtained - the former giving accurate astrometric information for J5, and the latter possible bearing on its surface structure or composition.

Aksnes, K.↗
NASA NTRS1979

Microwave sensing from orbit

Microwave sensors, used in conjunction with the traditional sensors of visible and infrared light to extend present capabilities of global weather forecasts and local storm watches, are discussed. The great advantage of these sensors is that they can penetrate or 'see' through cloud formations to monitor temperature, humidity and wind fields below the clouds. Other uses are that they can penetrate the earth deeper than optical and IR systems; they can control their own angle of incidence; they can detect oil spills; and they can enhance the studies of the upper atmosphere through measurement of temperature, water vapor and other gaseous species. Two types of microwave sensors, active and passive, are examined. Special attention is given to the study of the microwave radiometer and the corresponding temperature resolution as detected by the antenna. It is determined that not only will the microwave remote sensors save lives by allowing close monitoring of developing storms, but also save approximately $172 million/year.

Kritikos, H. N.↗
NASA NTRS1979

Residual nutational activity of the sunflower hypocotyl in simulated weightlessness

The gravity dependence of circumnutational activity in the sunflower hypocotyl is investigated under conditions of simulated weightlessness. Seedling cultures of the sunflower Helianthus annuus were placed four days after planting in clinostats rotating at a rate of 1.0 rpm in the horizontal or somersaulting configurations, and plant movements around their growth axes were recorded in infrared light by a time-lapse closed-circuit video system. The amplitudes and mean cycle durations of the plant nutations in the horizontal and tumbling clinostats are observed to be 20% and 72%, and 32% and 74%, respectively, of the values observed in stationary plants; extrapolations to a state of zero g by the imposition of small centripetal forces on horizontally clinostated plants also indicate some nutational motion in the absence of gravity. It is concluded that the results are incompatible with the model of Israelsson and Johnsson (1967) of geotropic response with overshoot for sunflower circumnutation; however, results of the Spacelab 1 mission experiment are needed to unambiguously define the role of gravitation.

Chapman, D. K.↗
NASA NTRS1985

Soft-X-Ray Prefilter for Hot, Bright Objects

Prefilters consisting of beryllium foil supported on conductive silver mesh transmit soft x-rays but are nearly opaque to visible and infrared light. New Be/AG filters protect imaging X-ray detectors from damage by visible and longer wavelength radiation when viewing such hot, bright emitters as Sun or possibly certain industrial processes.

Davis, J. M.↗
NASA NTRS1983

Summary of NASA Langley's pilot scan behavior research

The present investigation is concerned with the information acquired in a series of basic studies designed to obtain an understanding of the pilot's scanning behavior. In the studies, use was made of an oculometer system which operates by shining a beam of collimated infrared light at the subject's eyes. A number of oculometer software modifications have been made to make the oculometer user-friendly and versatile. Scanning is found to be a subconscious conditioned activity. The conditioned activity of scanning is different for each pilot. There are also slight variations between test runs for the same conditions for the same pilot. This indicates that scanning is situation dependent. Attention is given to the rate of information transfer, the possibility that scanning can be disrupted, the visual approach look-point, and workload sensitive measures.

Spady, A. A., Jr.↗