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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Coherent helicity-dependent spin-phonon oscillations in the ferromagnetic van der Waals crystal CrI3

Abstract The discovery of two-dimensional systems hosting intrinsic magnetic order represents a seminal addition to the rich landscape of van der Waals materials. CrI 3 is an archetypal example, where the interdependence of structure and magnetism, along with strong light-matter interactions, provides a new platform to explore the optical control of magnetic and vibrational degrees of freedom at the nanoscale. However, the nature of magneto-structural coupling on its intrinsic ultrafast timescale remains a crucial open question. Here, we probe magnetic and vibrational dynamics in bulk CrI 3 using ultrafast optical spectroscopy, revealing spin-flip scattering-driven demagnetization and strong transient exchange-mediated interactions between lattice vibrations and spin oscillations. The latter yields a coherent spin-coupled phonon mode that is highly sensitive to the driving pulse’s helicity in the magnetically ordered phase. Our results elucidate the nature of ultrafast spin-lattice coupling in CrI 3 and highlight its potential for applications requiring high-speed control of magnetism at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Light-Induced Transient Lattice Dynamics and Metastable Phase Transition in CH 3 NH 3 PbI 3 Nanocrystals

In this study, methylammonium lead iodide (MAPbI 3 ) perovskite nanocrystals (NCs) offer desirable optoelectronic properties with prospective utility in photovoltaics, lasers, and light-emitting diodes (LEDs). Structural rearrange-ments of MAPbI 3 in response to photoexcitation, such as lattice distortions and phase transitions, are of particular interest, as these engender long carrier lifetime and bolster carrier diffusion. Here, we use variable temperature X-ray diffraction (XRD) and synchrotron-based transient X-ray diffraction (TRXRD) to investigate lattice response following ultrafast optical excitation. MAPbI 3 NCs are found to slowly undergo a phase transition from the tetragonal to a pseudocubic phase over the course of 1 ns under 0.02-4.18 mJ/cm 2 fluence photoexcitation, with apparent nonthermal lattice distortions attributed to polaron formation. Lattice recovery exceeds time scales expected for both carrier recombination and thermal dissipation, indicating meta-stability likely due to the proximal phase transition, with symmetry-breaking along equatorial and axial directions. These findings are relevant for fundamental understanding and applications of structure-function properties.

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

Kilonova light-curve interpolation with neural networks

Kilonovae are the electromagnetic transients created by the radioactive decay of freshly synthesized elements in the environment surrounding a neutron star merger. To study the fundamental physics in these complex environments, kilonova modeling requires, in part, the use of radiative transfer simulations. The microphysics involved in these simulations results in high computational cost, prompting the use of emulators for parameter inference applications. Utilizing a training set of 22 248 high-fidelity simulations (composed of 412 unique ejecta parameter combinations evaluated at 54 viewing angles), we use a neural network to efficiently train on existing radiative transfer simulations and predict light curves for new parameters in a fast and computationally efficient manner. Our neural network can generate millions of new light curves in under a minute. We discuss our emulator's degree of off-sample reliability and parameter inference of the AT2017gfo observational data. Finally, we discuss tension introduced by multiband inference in the parameter inference results, particularly with regard to the neural network's recovery of viewing angle. Published by the American Physical Society 2024

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Radiation-Induced Long-Lived Transients and Metal Particle Formation in Solid KCl–MgCl 2 Mixtures

Here, the electron paramagnetic resonance and diffuse reflectance-optical absorption spectra of room-temperature γ-irradiated KCl–MgCl 2 binary solid salt mixtures (98:2 mol % and 2:98 mol %) and the eutectic (68:32 mol %) are reported. Additionally, powder X-ray diffraction of the pristine salts and thermal annealing studies of the irradiated salts were performed to evaluate the radiolysis product stability, annihilation, and association in metallic particles. The main long-lived transient species detected in 98:2 mol % KCl–MgCl 2 salts were perturbed F-centers, that is, trapped electrons (e t – ) in the vicinity of Mg ions (λ max at 561 nm), and the radiolytic reduction of Mg 2+ to Mg + and Mg 0 . Thermal annealing promoted the diffusion of defects to yield polycations (Mg n + ). On the other hand, irradiation of 2:98 mol % KCl/MgCl 2 salts showed the formation of cationic and neutral Mg dimers (Mg 2 + and Mg 2 ) and trimers as well as centers with a rhombic powder pattern apparently consisting of an electron shared between three Mg 2+ nuclei associated with an anion vacancy (ν a + –Mg 3 5+ ). Trapped electrons (e t – ) (F-centers) were not observed in the irradiated eutectic mixture; instead, Mg 2 , Mg 0 , and Cl 3 – were observed. It was observed that the higher temperature for thermal ionization of radiation-reduced Mg species decreased the extent of electron recombination reactions and the disproportionation of Cl 3 – compared to the pure KCl but enhanced the aggregation of Mg into larger metallic microstructures (metallic particles).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of A Multi-Spectral Pyrometry Sensor for High-Speed Transient Surface-Temperature Measurements in Combustion-Relevant Harsh Environments

Accurate and high-speed transient surface-temperature measurements of combustion devices including internal combustion (IC) engines, gas turbines, etc., provide validation targets and boundary conditions for computational fluid dynamics models, and are broadly relevant to technology advancements such as performance improvement and emissions reduction. Development and demonstration of a multi-infrared-channel pyrometry-based optical instrument for high-speed surface-temperature measurement is described. The measurement principle is based on multi-spectral radiation thermometry (MRT) and uses surface thermal radiation at four discrete spectral regions and a corresponding emissivity model to obtain surface temperature via non-linear least squares (NLLS) optimization. Rules of thumb for specifying the spectral regions and considerations to avoid interference with common combustion products are developed; the impact of these along with linear and non-linear MRT analysis are assessed as a function of temperature and signal-to-noise ratio. A multi-start method to determine the MRT-solution global optimum is described and demonstrated. The resulting multi-channel transient pyrometry instrument is described along with practical considerations including optical-alignment drift, matching intra-channel transient response, and solution-confidence indicators. The instrument demonstrated excellent >97% accuracy and >99% 2-sigma precision over the 400–800 °C range, with ~20 µs (50 kHz, equivalent to 0.2 cad at 2000 RPM IC-engine operation) transient response in the bench validation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Detection of the BICT State in a Borafluorene with High Stokes Shift Fluorescence

Four-coordinate aryl borafluorenes with boron–oxygen and boron–nitrogen dative bonds can exhibit very large fluorescence Stokes shifts. The large Stokes shifts are hypothesized to arise from cleavage of the boron-donor dative bond in the excited state, via a mechanism called bond-cleavage-induced intramolecular charge transfer (BICT). The primary goal of this current investigation is to directly observe the BICT state by performing transient absorption spectroscopy (TAS) on four-coordinate borafluorenes, which have improved optical stability. A novel four-coordinate aryl borafluorene was synthesized which features a dative B–O bond and two tert-butyl moieties on the aryl ring. TAS of the new borafluorene is consistent with the existence of a single, three-coordinate species in the excited state, as predicted by the BICT hypothesis. In conclusion, the TAS data is supported by fluorescence lifetime measurements and DFT calculations.

Absorption↗
DOE OSTI2023

The birth and evolution of solvated electrons in the water

The photo-induced radiolysis of water is an elementary reaction in biology and chemistry, forming solvated electrons, OH radicals, and hydronium cations on fast time scales. Here, we use an optical-pump terahertz-probe spectroscopy setup to trigger the photoionization of water molecules with optical laser pulses at ~400 nm and then time-resolve the transient solvent response with broadband terahertz (THz) fields with a ~90 fs time resolution. We observe three distinct spectral responses. The first is a positive broadband mode that can be attributed to an initial diffuse, delocalized electron with a radius of (22 ± 1) Å, which is short lived (<200 fs) because the absorption is blue-shifting outside of the THz range. The second emerging spectroscopic signature with a lifetime of about 150 ps is attributed to an intermolecular mode associated with a mass rearrangement of solvent molecules due to charge separation of radicals and hydronium cations. After 0.2 ps, we observe a long-lasting THz signature with depleted intensity at 110 cm -1 that is well reproduced by ab initio molecular dynamics. We interpret this negative band at 110 cm -1 as the solvent cage characterized by a weakening of the hydrogen bond network in the first and second hydration shells of the cavity occupied by the localized electron.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Nonnuclear Experimental Capabilities to Support Design, Development, and Demonstration of Microreactors

This work provides a summary of selected experimental capabilities being developed to support nonnuclear testing and demonstration of technology in support of microreactors under the U.S. Department of Energy’s (DOE’s) Microreactor Program. Major capabilities include the Single Primary Heat Extraction and Removal Emulator (SPHERE) and the Microreactor Agile Non-nuclear Experimental Test Bed (MAGNET). The SPHERE facility allows for controlled testing of the steady-state and transient heat rejection capabilities of a single heat pipe using electrical heaters that simulate nuclear heating. The facility is capable of monitoring axial temperature profiles along the heat pipe and surrounding test articles during startup, steady-state operation, and transients. Instrumentation includes noncontact infrared thermal imaging, surface thermocouples, spatially distributed fiber optic temperature and strain sensors, electrical power meters, and a water-cooled, gas-gap calorimeter for quantifying heat rejection from the heat pipe. The facility can be operated under both vacuum and inert-gas conditions. The MAGNET facility is a large-scale, 250-kW electrically heated microreactor test bed to enable nonnuclear experimental evaluation of a variety of microreactor concepts. It can be supplied to electrically heat a scaled section of a microreactor and further test the capabilities of heat rejection systems. The initial MAGNET experiments will support technology maturation and reduce uncertainty and risk associated with the design, operation, and deployment of monolithic heat pipe–based reactors. However, this test bed can broadly be applied to multiple microreactor concepts to evaluate a wide range of thermal-hydraulic and structural phenomena such as interface coupling with power conversion units and other collocated systems. MAGNET can evaluate integral thermomechanical effects during electrical heating of an array of heat pipes in a larger test article. Examples of initial testing will include thermal stresses in the monolith and the impact of debonding of a heat pipe from the core block and how that failure could impact surrounding heat pipes, i.e., understanding the potential for cascading failure. This work also discusses some modeling capabilities that can support experiment design, analysis, and interpretation, including the heat pipe code Sockeye and a comparison of thermal-structural simulations performed using ABAQUS and STAR-CCM+.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Encoding the complete electric field of an ultraviolet ultrashort laser pulse in a near-infrared nonlinear-optical signal

We introduce a variation on the cross-correlation frequency-resolved optical gating (XFROG) technique that uses a near-infrared (NIR) nonlinear-optical signal to characterize pulses in the ultraviolet (UV). Using a transient-grating XFROG beam geometry, we create a grating using two copies of the unknown UV pulse and diffract a NIR reference pulse from it. We show that, by varying the delay between the UV pulses creating the grating, the UV pulse intensity-and-phase information can be encoded into a NIR signal. We also implemented a modified generalized-projections phase-retrieval algorithm for retrieving the UV pulses from these spectrograms. We performed proof-of-principle measurements of chirped pulses and double pulses, all at 400 nm. This approach should be extendable deeper into the UV and potentially even into the extreme UV or x-ray range.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Thin-film lithium niobate electro-optic terahertz wave detector

Here, the design, fabrication, and validation of a thin-film lithium niobate on insulator (LNOI) electro-optic (EO) time-domain terahertz (THz) wave detector is reported. LNOI offers unprecedented properties for the EO detection of freely propagating THz wave radiation pulses and transient electric fields because of the large EO coefficient of the material, engineering of the velocity matching of the THz wave and optical wave, and much reduced detector size. The proof-of-concept device is realized using thin-film lithium niobate optical waveguides forming a Mach–Zehnder interferometer with interferometer arms electrically poled in opposite directions. THz waves are coupled effectively to the fully dielectric device from free space without using antennas or plasmonics. The detection of THz waves with frequencies up to 800 GHz is successfully demonstrated. The detector allows for the detection of THz frequency electric fields up to 4.6 MV/m. The observed frequency response of the device agrees well with theoretical predictions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Ultrafast infrared plasmon switching in aligned carbon-nanotube optical resonators

Reconfigurable plasmonic materials are crucial components in active photonic devices for optical communication, signal processing, and sensing applications. Certain candidates including transparent conducting oxides, small-bandgap semiconductors (i.e. Ge, InSb), and conducting polymers can exhibit switchable free carrier concentrations triggered by optical, electrical or thermal excitations. Here, we show that aligned films of single-walled carbon nanotubes (SWCNTs) can serve as all-optically tunable plasmonic material in the mid-infrared range, thereby adding them to the library of switchable plasmonic materials. Interband optical pumping with femtosecond laser pulses results in the photoexcitation of free charge carriers, which transiently blueshifts the plasmon resonances of patterned, periodic SWCNT nano-resonators spanning the mid-infrared spectral range from 1700 to 2700 cm -1 . Furthermore. the ultrafast plasmon modulation exhibits a nearly single-picosecond decay time, attributed to interband carrier relaxation and inter-tube charge transfer. Given that aligned films of SWCNTs have high thermal stability, excellent photostability, epsilon-near-zero property, and extremely large optical anisotropy, their dynamic tunability represents a promising pathway towards active optical devices in the technologically important mid-infrared range.

single-walled carbon nanotubes↗
DOE OSTI2021

Search for topological defect dark matter with a global network of optical magnetometers

Ultralight bosons such as axion-like particles are viable candidates for dark matter. They can form stable, macroscopic field configurations in the form of topological defects that could concentrate the dark matter density into many distinct, compact spatial regions that are small compared with the Galaxy but much larger than the Earth. Here we report the results of the search for transient signals from the domain walls of axion-like particles by using the global network of optical magnetometers for exotic (GNOME) physics searches. We search the data, consisting of correlated measurements from optical atomic magnetometers located in laboratories all over the world, for patterns of signals propagating through the network consistent with domain walls. The analysis of these data from a continuous month-long operation of GNOME finds no statistically significant signals, thus placing experimental constraints on such dark matter scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A Joint Search for the Electromagnetic Counterpart to the Gravitational-Wave Binary Black-Hole Merger Candidate S250328ae with the Dark Energy Camera and the Prime Focus Spectrograph

The first detection of an optical counterpart to a gravitational wave signal revealed that collaborative efforts between instruments with different specializations provide a unique opportunity to acquire impactful multi-messenger data. We present results of such a joint search with the Dark Energy Camera (DECam) and Prime Focus Spectrograph (PFS) for the optical counterpart of the LIGO-Virgo-KAGRA event S250328ae, a binary black hole merger candidate of high significance detected at a distance of 511$\pm$82 Mpc and localized within an area of 3 (15) square degrees at 50% (90%) confidence. We observed the 90% confidence area with DECam and identified 36 high-confidence transient candidates after image processing, candidate selection, and candidate vetting. We observed with PFS to obtain optical spectra of DECam candidates, Swift-XRT candidates, and potential host galaxies of S250328ae. In total, 3897 targets were observed by seven pointings covering ~50% of the 90% confidence area. After template fitting and visual inspection, we identified 12 SNe, 159 QSOs, 2975 galaxies, and 131 stars. With the joint observations of DECam and PFS, we found variability in 12 SNe, 139 QSOs, 37 galaxies, and 2 stars. We do not identify any confident optical counterparts, though the association is not ruled out for three variable candidates that are not observed by PFS and 6 QSO candidates without clear variability if the optical counterpart of S250328ae is faint. Despite the lack of confident optical counterparts, this paper serves as a framework for future collaborations between wide-field imagers and multi-object spectrographs to maximize multi-messenger analyses.

Zhang, Haibin [Natl. Astron. Observ. of Japan] (OR↗
DOE OSTI2020

Gravitational Microlensing Event Statistics for the Zwicky Transient Facility

Microlensing surveys have discovered thousands of events, with almost all events discovered within the Galactic bulge or toward the Magellanic Clouds. The Zwicky Transient Facility (ZTF), while not designed to be a microlensing campaign, is an optical time-domain survey that observes the entire northern sky, including the Galactic plane, every few nights. The ZTF observes ~10 9 stars in the g and r bands and can significantly contribute to the observed microlensing population. In this paper, we predict that the ZTF will observe ~1100 microlensing events in 3 yr of observing within 10° latitude of the Galactic plane, with ~500 events in the outer Galaxy (ℓ ≥ 10°). This yield increases to ~1400 (~800) events by combining every three ZTF exposures, ~1800 (~900) events if the ZTF observes for a total of 5 yr, and ~2400 (~1300) events for a 5 yr survey with postprocessing image stacking. Using the microlensing modeling software PopSyCLE, we compare the microlensing populations in the Galactic bulge and the outer Galaxy. We also present an analysis of the microlensing event ZTF18abhxjmj to demonstrate how to leverage these population statistics in event modeling. The ZTF will constrain Galactic structure, stellar populations, and primordial black holes through photometric microlensing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Minimization of thermal deformation in crystal optics for high repetition-rate FEL

Minimizing thermal deformation in X-ray crystal optics is crucial for preserving coherence and wavefront in high-repetition-rate free-electron lasers (FELs). This study presents two approaches to reduce pulse-by-pulse transient thermal deformation in diamond crystals used in cavity-based X-ray FELs (CBXFELs): (1) cryogenic cooling with liquid nitrogen (LN₂), and (2) second-order correction via focusing optics. We revisit the temperature-dependent thermal-mechanical properties of diamond and silicon, implement a finite-element analysis (FEA) method to accelerate convergence to a quasisteady-state regime. Results show that LN₂-cooled diamond crystals meet the stringent deformation requirement of less than 15 pm RMS for the pulse at mJ scale at 1 MHz repetition frequency, and up to 1.5 mJ for 100 kHz. Second-order correction by using focusing elements within the cavity can reduce the impact of thermal deformation for both liquid nitrogen and water cooling.

free electron laser↗
DOE OSTI2024

Characterizing the nonequilibrium response of FeRh thin films using time-domain thermoreflectance

Time-domain thermoreflectance (TDTR) characterization of FeRh throughout its first-order antiferromagnetic (AF) to ferromagnetic (FM) transition shows that the transient reflectance ΔR⁡(t)/R strongly depends on the magnetic order of the sample. Using TDTR, which uses optical pulses to induce small temperature excursions, we have found that Δ⁢R⁡(t)/R of the AF phase exhibits a large negative response, while the response of the FM phase is positive. This magnetic phase sensitivity has allowed us to study the transient response of both the AF and FM phases to the pump-pulse excitation and the mixed phase of the material. These results are significant since the ultrafast properties of antiferromagnetic materials and mixed antiferromagnetic and ferromagnetic materials are difficult to detect using other conventional techniques. We have found that the AF phase exhibits a strong subpicosecond decaying signal not observed in the FM phase. The magnetic phase dependence of the sign of Δ⁢R⁡(t)/R is qualitatively explained using the results of ab initio density functional theory calculations. Using the two-temperature model, we found that the change in the thermalization time across the transition is caused by differences in both the electronic heat capacity and the electron-phonon coupling factor of the AF and FM phases. The electron-phonon coupling constant in the AF phase is also determined using the two-temperature model conducted using the ntmpy code package. For the FM phase, we provide boundaries for the magnitude of the electron-phonon coupling factor for the FM phase. Finally, these results indicate that TDTR can be used to study the transient properties of magnetic materials that are otherwise challenging to probe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗