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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Observation of early events in the photoactivation of Myxobacterial phytochrome using time-resolved serial femtosecond crystallography

Myxobacteria are non-photosynthetic, soil-dwelling bacteria distinguished by a multicellular stage in their life cycle known as fruiting bodies that are stimulated by light. Myxobacterial phytochromes are candidates for the perception of red-light. The mechanism how light is perceived and converted to a physiological response is unknown. Here, time-resolved serial femtosecond crystallographic (TR-SFX) experiments were conducted on microcrystals of the photosensory core module of the Stigmatella aurantiaca bacteriophytochrome 2 (SaBphP2). Initial events of the Z to E isomerization reaction of the covalently bound, open-chain tetrapyrrole biliverdin (BV) chromophore were determined. At 3 ps after light activation, the BV ring-D assumes a configuration needed for the isomerization. At 100 ps, a mixture of BV in the Z or E configuration is observed in subunit A, while in the other subunit the chromophore remains in the Z configuration. In conjunction with prior results, these structures reveal the molecular mechanism of phytochrome activation in the photomorphogenesis of the myxobacteria and provide the molecular foundation for physiological responses to red light in other bacteria.

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

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

Ammonia (NH 3 ) is one of the most important industrial chemicals. The conventional NH 3 synthesis method-the Haber–Bosch process-converts atmospheric nitrogen (N 2 ) into NH 3 using H 2 with an iron (Fe) catalyst. However, this process requires high pressures (100–200 atm) and temperatures (700–800 K) near thermal equilibrium. Recently, Fe-based nanocatalysts have been reported to produce promising NH 3 yields under atmospheric pressures and temperature-modulated nonequilibrium conditions. Understanding the mechanism of nonequilibrium catalysis with programmed temperature variation could help to optimize this fully electrified and less energy-intensive process. Although reactive molecular dynamics (RMD) simulations can be a useful tool to model nonequilibrium catalytic processes, they require the development of accurate force fields (i.e., interatomic potentials). Here, we present a machine-learned (ML) force field within the Deep Potential MD (DPMD) framework, trained using periodic density functional theory (DFT) calculations, to model NH 3 synthesis on Fe catalysts with various surface adsorbates such as *N, *H, *N 2 , *H 2 , *NH, *NH 2 , and *NH 3 . Here, we generated the DFT data from static models of elementary reactions on the most stable (110) surface of body-centered cubic Fe, which then were augmented by data from constant number of particles–volume–temperature (NVT) DFT-MD trajectories at various temperatures. Finally, we utilized the fully optimized ML force field to investigate reaction dynamics at an Fe(110) surface at linearly increasing temperatures using NVT-DPMD simulations. Our simulations indicate that pulsed temperature ramping could prove favorable for NH3 synthesis. For example, we conducted ramping under multiple sets of conditions: (i) from 900 to 1200 K over periods of 0.1–0.3 ns for Fe surfaces precovered with N or NH along with H; and (ii) from 300 to 600 K over 0.1–0.3 ns for Fe surfaces precovered with NH 3 . While our simulations so far are limited to short time scales (very rapid heating), these observations shed light on the mechanism of the high NH 3 synthesis rate achieved in a novel temperature-modulated nonequilibrium catalytic reactor using pulsed heating and cooling.

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

Four-channel optically pumped magnetometer for a magnetoencephalography sensor array

We present a novel four-channel optically pumped magnetometer (OPM) for magnetoencephalography that utilizes a two-color pump/probe scheme on a single optical axis. We characterize its performance across 18 built sensor modules. The new sensor implements several improvements over our previously developed sensor including lower vapor-cell operating temperature, improved probe-light detection optics, and reduced optical power requirements. The sensor also has new electromagnetic field coils on the sensor head which are designed using stream-function-based current optimization. We detail the coil design methodology and present experimental characterization of the coil performance. The magnetic sensitivity of the sensor is on average 12.3 fT/rt-Hz across the 18 modules while the average gradiometrically inferred sensitivity is about 6.0 fT/rt-Hz. The sensor 3-dB bandwidth is 100 Hz on average. The on-sensor coil performance is in good agreement with the simulations.

Iivanainen, Joonas (ORCID:0000000160344604)↗
DOE OSTI2022

Ion-Pair Reorganization Regulates Reactivity in Photoredox Catalysts

Cyclometalated and polypyridyl complexes of d6 metals are promising photoredox catalysts, using light to drive reactions with high kinetic or thermodynamic barriers via the generation of reactive radical intermediates. However, while tuning of their redox potentials, absorption energy, excited-state lifetime and quantum yield are well-known criteria for modifying activity, other factors could be important. Here we show that dynamic ion-pair reorganization controls the reactivity of a photoredox catalyst, [Ir[dF(CF3)ppy]2(dtbpy)]X. Time-resolved dielectric-loss experiments show how counter-ion identity influences excited-state charge distribution, evincing large differences in both the ground- and excited-state dipole moment depending on whether X is a small associating anion (PF6-) that forms a contact-ion pair versus a large one that either dissociates or forms a solvent-separated pair (BArF4-). These differences correlate with the reactivity of the photocatalyst toward both reductive and oxidative electron transfer, amounting to a 4-fold change in selectivity toward oxidation versus reduction. These results suggest that ion pairing could be an underappreciated factor that modulates reactivity in ionic photoredox catalysts.

catalysis↗
DOE OSTI2025

Floquet engineering of polaritonic amplification in dispersive photonic time crystals

In this study, we investigate the dynamics of dispersive photonic time crystals (PTCs) and their potential applications for controlling light-matter interaction. Using the Lorentz-Drude as dispersive material model, we analyze the effects of periodic modulation of dispersion parameters through both theoretical and numerical analysis, revealing the emergence of hybrid bandgaps from the interaction of polaritonic branches with distinctive characteristics. Our study demonstrates that dispersive PTCs offer novel excitation channels and amplification possibilities, that require lower modulation frequencies compared to nondispersive systems thus alleviating experimental challenges for the realization of PTCs in the optical regime. These findings pave the way for advancements in polaritonic lasing and resonant Raman scattering.

Classical optics↗
DOE OSTI2025

Enhancing the Multifunctional Photocatalytic Activity of Sustainable Magnetic Nanoparticles

The development of efficient photocatalytic materials has intensified in response to increasing emphasis on sustainable energy conversion and environmental restoration. However, the excessive use and indiscriminate release of heavy metals from photocatalytic nanoparticles pose potential environmental risks. This study provides insights into optimizing visible-light-active photocatalysts to enhance their photocatalytic properties and stability. Specifically, cobalt doping and controlled pH modulation are employed on the modified Fe 3 O 4 , forming two distinct samples: Co@Fe 3 O 4 -B (base-treated) and Co@Fe 3 O 4 -A (acid-treated) nanoparticles. Microscopic characterization reveals that Co@Fe 3 O 4 -A undergoes a phase transition to hematite, whereas Co@Fe 3 O 4 -B retains its mixed-phase configuration. Spectroscopic analyses confirm that the cobalt dopants decorate the outskirts of each nanoparticle, forming a core–shell structure. However, Co@Fe 3 O 4 -B exhibit Co 2+ states with a high oxygen vacancy content, whereas Co@Fe 3 O 4 -A contain mixed Co 2+/3+ states. The high density of defect states in the Co@Fe 3 O 4 -B results in superior photocatalytic efficiency, achieving near-complete oxidation of furfuraldehyde (97% conversion) and 5-hydroxymethylfurfural (94% conversion), as well as effective degradation of toluene (78% conversion). This study demonstrates that the combined approach of doping and pH treatment is promising for the surface-defect engineering of photocatalysts, enhancing their multifunctional performance and reusability for sustainable energy conversion.

Fe3 O4 nanoparticles↗
DOE OSTI2023

Two-Factor Phase Separations in Mixed-Halide Quasi-2D Perovskite LEDs: Dimensionality and Halide Segregations

Quasi-2D halide perovskites have attracted much interest as a promising material for light-emitting diodes (LEDs) due to their tunability in quantum confinement and halide alloy formation to modulate the energy bandgap and emission color. However, two-factor phase separations with respect to heterogeneous quantum-well thicknesses and halide segregation are still crucial issues in quasi-2D perovskite LEDs, leading to low external quantum efficiencies (EQEs) and color shifts. In this work, we compare quasi-2D perovskite films using different cations to unveil the key contributions from the chemical design of organic cations. While mixing halide ions in conventional quasi-2D perovskite films induces micrometer-scale heterogeneity, new extended and twisted conjugated cations suppress the two-factor phase separations, leading to high EQEs of over 25% and controllable emission wavelengths across red and near-infrared regions. The fundamental insights in this work will provide guidance for advancing materials design and device performance in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chirality and dislocation effects in single nanostructures probed by whispering gallery modes

Nanostructures such as nanoribbons and -wires are of interest as components for building integrated photonic systems, especially if their basic functionality as dielectric waveguides can be extended by chiroptical phenomena or modifications of their optoelectronic properties by extended defects, such as dislocations. However, conventional optical measurements typically require monodisperse (and chiral) ensembles, and identifying emerging chiral optical activity or dislocation effects in single nanostructures has remained an unmet challenge. Here we show that whispering gallery modes can probe chirality and dislocation effects in single nanowires. Wires of the van der Waals semiconductor germanium(II) sulfide (GeS), obtained by vapor–liquid–solid growth, invariably form as growth spirals around a single screw dislocation that gives rise to a chiral structure and can modify the electronic properties. Cathodoluminescence spectroscopy on single tapered GeS nanowires containing joined dislocated and defect-free segments, augmented by numerical simulations and ab-initio calculations, identifies chiral whispering gallery modes as well as a pronounced modulation of the electronic structure attributed to the screw dislocation. Further, our results establish chiral light-matter interactions and dislocation-induced electronic modifications in single nanostructures, paving the way for their application in multifunctional photonic architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantum interference between the optical Stark effect and resonant harmonic generation in WS 2

An applied field can modulate optical signals by resonance shifting via the Stark effect. The optical Stark effect uses ultrafast light in the transparency region of a material to shift resonances with speeds limited by the pulse duration or system coherence. In this Rapid Communication, we investigate the optical Stark effect in resonant optical harmonic generation using the A exciton transition of WS 2 . Multidimensional pump-harmonic-probe measurements, in which the probe is second- or third-harmonic emission, reveal not only large Stark shifts that are commensurate with the large optical susceptibilities common to WS 2 excitons, but also behaviors more complex than simple optical Stark effect treatments predict. We show how another manifestation of the Stark effect, brought forth by coherent photon exchange between the pump and harmonic generation fundamental fields, can strongly enhance or suppress harmonic generation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Comparison of theory with the experimental characterization of the spatial frequency response of interferometers using a binary pseudo-random array sample

Experimental evaluations of the surface height response of an interference microscope using a binary pseudo-random array test sample are compared with a theory based on a Fourier optics model. Measurements of key instrument characteristics, including the illumination, imaging, and obscuring apertures of three different Mirau objectives, support the theoretical calculations. Agreement between experimental and theoretical modeling confirms the predictability of the spatial frequency response for the purpose of specification and optimization of instrument configuration for specific metrology tasks. The results also provide confidence in methods of compensating for the decrease in instrument response with spatial frequency.

Calibration↗
NASA NTRS1972

Lunar orbital photography of astronomical phenomena.

This paper reports further progress on photography of faint astronomical and geophysical phenomena accomplished during the recent Apollo missions. Command module pilots have been able to photograph such astronomical objects as the solar corona, zodiacal light-corona transition region, lunar libration region, and portions of the Milky Way. The methods utilized for calibration of the film by adaptation of the High Altitude Observatory sensitometer are discussed. Kodak 2485 high-speed recording film was used in both 35-mm and 70-mm formats. The cameras used were Nikon f/1.2 55-mm focal length and Hasselblad f/2.8 80-mm focal length. Preflight and postflight calibration exposures were included on both the flight and control films, corresponding to luminances extending from the inner solar corona to as faint as 1/10 of the luminance of the light of the night sky. The photographs obtained from unique vantage points available during lunar orbit are discussed.

Mercer, R. D.↗
NASA NTRS1973

Laser communication system for controlling several functions at a location remote to the laser

A multichannel laser remote control system is described. The system is used in areas where radio frequency, acoustic, and hardware control systems are unsatisfactory or prohibited and where line of sight is unobstructed. A modulated continuous wave helium-neon laser is used as the transmitter and a 360 degree light collector serves as the antenna at the receiver.

Burcher, E. E.↗
NASA NTRS1976

Evidence for a 16d.6 period from Circinus X-1

Analysis of All-Sky Monitor observations of Cir X-1 (3U1516-56) over the period October 1975 - April 1976 revealed a well-defined modulation of the 3-6 keV flux at a period of 16.585 + or - 0.01. The light-curve is characterized by an abrupt drop in emission occurring on a timescale of 0.07, with epoch JD 2,442,877.181 + or - 0.07. No clear correspondingly sharp increase in emission is observed during the cycle, so that a noneclipse origin for this effect cannot be ruled out.

Kaluzienski, L. J.↗
NASA NTRS1986

Range finding using frequency-modulated laser diode

A coherent-optical time-of-flight range-finding technique is proposed which uses a simple inexpensive device. Target range is determined by modulating a laser diode's optical frequency and measuring the change in the phase of the light reflected back into the laser. Target velocity as well as range can be measured using this approach. The device is described, and experimental evidence is presented to show the feasibility of measuring distance with subcentimeter resolution over a 1.5-m range.

Beheim, G.↗
NASA NTRS2001

STS-97 Post Flight Presentation

Various shots highlight the STS-97 Endeavour mission. Footage shows the crew suiting up and leaving the Operations and Checkout (O&C) Building, the launch, and landing. Various on-orbit activities are seen, such as docking with the International Space Station (ISS), the spacewalks (installing the PV Module P6), array deployment, meeting the Expedition 1 crew, eating, and undocking. Shots show the northern lights and a meteorite entering Earth's atmosphere from above. The Andes can be seen from the Orbiter while the P6 arrays are deploying.

Source record↗
NASA NTRS2011

Simplified Architecture for Precise Aiming of a Deep-Space Communication Laser Transceiver

The simplified architecture is a minimal system for a deep-space optical communications transceiver. For a deepspace optical communications link the simplest form of the transceiver requires (1) an efficient modulated optical source, (2) a point-ahead mechanism (PAM) to compensate for two-way light travel, (3) an aperture to reduce the divergence of the transmit laser communication signal and also to collect the uplink communication signal, and (4) a receive detector to sense the uplink communication signal. Additional components are introduced to mitigate for spacecraft microvibrations and to improve the pointing accuracy. The Canonical Transceiver implements this simplified architecture (see figure). A single photon-counting smart focal plane sensor combines acquisition, tracking, and forward link data detection functionality. This improves optical efficiency by eliminating channel splits. A transmit laser blind sensor (e.g. silicon with 1,550-nm beam) provides transmit beam-pointing feedback via the two-photon absorption (TPA) process. This vastly improves the transmit/receive isolation because only the focused transmit beam is detected. A piezoelectric tiptilt actuator implements the required point-ahead angle. This point-ahead mechanism has been demonstrated to have near zero quiescent power and is flight qualified. This architecture also uses an innovative 100-mHz resonant frequency passive isolation platform to filter spacecraft vibrations with voice coil actuators for active tip-tilt correction below the resonant frequency. The canonical deep-space optical communications transceiver makes synergistic use of innovative technologies to reduce size, weight, power, and cost. This optical transceiver can be used to retire risks associated with deep-space optical communications on a planetary pathfinder mission and is complementary to ongoing lunar and access link developments.

Ortiz, Gerard G.↗
NASA NTRS2010

Space Shuttle Star Tracker Challenges

The space shuttle fleet of avionics was originally designed in the 1970's. Many of the subsystems have been upgraded and replaced, however some original hardware continues to fly. Not only fly, but has proven to be the best design available to perform its designated task. The shuttle star tracker system is currently flying as a mixture of old and new designs, each with a unique purpose to fill for the mission. Orbiter missions have tackled many varied missions in space over the years. As the orbiters began flying to the International Space Station (ISS), new challenges were discovered and overcome as new trusses and modules were added. For the star tracker subsystem, the growing ISS posed an unusual problem, bright light. With two star trackers on board, the 1970's vintage image dissector tube (IDT) star trackers track the ISS, while the new solid state design is used for dim star tracking. This presentation focuses on the challenges and solutions used to ensure star trackers can complete the shuttle missions successfully. Topics include KSC team and industry partner methods used to correct pressurized case failures and track system performance.

Herrera, Linda M.↗
NASA NTRS2017

Europa Mission Configuration Update to Accommodate Maturing Instrument Designs

A mission to Jupiter’s moon, Europa has been of interest to NASA and JPL since the Galileo mission's magnetometer data predicted the presence of a subsurface ocean. The planned Europa mission would be equipped with a suite of instruments to perform both remote and in-situ sensing, the scope of which ranges from gravity science to characterizing the surface composition, with one of the objectives being to confirm the existence of the subsurface ocean. As the selected instruments mature, the challenge has been to select and refine a spacecraft configuration that is flexible enough to accommodate these changes without degrading the scientific capability of the spacecraft. An increase in instrument volume and power have prompted the growth of spacecraft engineering subsystems, which include the solar arrays and the avionics module. These changes have the potential to cause obstructions to the instrument fields of view, stray light keep-out-zones, and thermal radiative fields of view. Many of these criteria are addressed by the implementation of a dedicated instrument platform. Payloads that are unique to the Europa mission require new approaches to instrument accommodation, such as coupling the ice penetrating radar's radiating elements to the solar array. This paper will discuss these accommodation strategies for the Europa spacecraft to generate a new baseline design.

Gentile, Matthew↗