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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations

Here we extend our recently developed sparse-stochastic fragmented exchange formalism for ground-state near-gap hybrid DFT to calculate absorption spectra within linear-response time-dependent generalized Kohn-Sham DFT (LR-GKS-TDDFT) for systems consisting of thousands of valence electrons within a grid-based/plane-wave representation. A mixed deterministic/fragmented-stochastic compression of the exchange kernel, here using long-range explicit exchange functionals, provides an efficient method for accurate optical spectra. Both real-time propagation as well as frequency-resolved Casida-equation-type approaches for spectra are presented, and the method is applied to large molecular dyes.

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

Time-Evolving Chirality Loss in Molecular Photodissociation Monitored by X-ray Circular Dichroism Spectroscopy

In this work, the ultrafast photoinduced chirality loss of 2-iodobutane is studied theoretically by time- and frequency-resolved X-ray circular dichroism (TRXCD) spectroscopy. Following an optical excitation, the iodine atom dissociates from the chiral center, which we capture by quantum non-adiabatic molecular dynamics simulations. At variable time delays after the pump, the resonant X-ray pulse selectively probes the iodine and carbon atom involved in the chiral dissociation through a selected core-to-valence transition. The TRXCD signal at the iodine L 1 edge accurately captures the timing of C–I photodissociation and thereby chirality loss, c.a 70 fs. The strong electric dipole–electric quadrupole (ED–EQ) response makes this signal particularly sensitive to vibronic coherence at the high X-ray regime. At the carbon K-edges, the signals monitor the molecular chirality of the 2-butyl radical photoproduct and the spin state of the iodine atom. The ED–EQ response is masked under the strong electric dipole-magnetic dipole response, making this signal intuitive for the electronic population. The evolution of the core electronic states and its chiral sensitivity is discussed. Overall, the element-specific TRXCD signal provides a detailed picture of molecular dynamics and offers a unique sensitive window into the time-dependent chirality of molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Milliwatt-level UV generation using sidewall poled lithium niobate

Integrated coherent sources of ultra-violet (UV) light are essential for a wide range of applications, from ion-based quantum computing and optical clocks to gas sensing and microscopy. Recently, approaches that use frequency upconversion have received considerable attention. Among these, the integrated thin-film lithium niobate (TFLN) photonic platform shows particular promise. However, to date, the high propagation losses and lack of reliable techniques for consistent poling of cm-long waveguides with small poling periods have impeded progress. Here, we present a sidewall poled lithium niobate (SPLN) waveguide approach that overcomes these obstacles and results in a two-orders-of-magnitude increase in generated UV power. We demonstrate SPLN waveguides featuring record-low propagation losses of 2.3 dB/cm, complete domain inversion across the waveguide cross-section, and an optimum 50% duty cycle, resulting in a record-high normalized conversion efficiency of 5050%W$^{−1}$cm$^{−2}$, and 4.2 mW of generated on-chip power at 390 nm wavelength. This advancement makes the TFLN platform a viable option for high-quality on-chip UV generation, benefiting emerging applications.

Franken, C. A.A. [Harvard U.; Twente U., Enschede]↗
DOE OSTI2023

Unconventional room-temperature carriers in the triangular-lattice Mott insulator TbInO3

Abstract The strong correlations between electrons in Mott insulator materials may produce highly entangled many-body states with unconventional emergent excitations. The signatures of such excitations, if any, are commonly believed to be observable only at low temperatures. Here, we challenge this common belief and show using terahertz time-domain spectroscopy that exotic carriers exist even at room temperature in TbInO 3 , a candidate material for realizing a low-temperature quantum spin-liquid phase. In particular, over the entire temperature range of 1.5–300 K, we observe a quadratic frequency dependence in the real part of the in-plane optical conductivity as well as Fano asymmetry of an optical phonon mode strongly interacting with the excitation continuum. These features are robust even under external magnetic fields of up to 7 T. Our data confirm the presence of emergent charge carriers within the Mott charge gap of TbInO 3 , suggesting that it is possible to probe and manipulate highly entangled quantum many-body states at room temperature.

Physics↗
DOE OSTI2021

System-on-chip upgrade of millimeter-wave imaging diagnostics for fusion plasma

Monolithic, millimeter wave “system-on-chip” technology has been employed in chip heterodyne radiometers in a newly developed Electron Cyclotron Emission Imaging (ECEI) system on the DIII-D tokamak for 2D electron temperature and fluctuation diagnostics. The system employs 20 horn-waveguide receiver modules each with customized W-band (75–110 GHz) monolithic microwave integrated circuit chips comprising a W-band low noise amplifier, a balanced mixer, a ×2 local oscillator (LO) frequency doubler, and two intermediate frequency amplifier stages in each module. Compared to previous quasi-optical ECEI arrays with Schottky mixer diodes mounted on planar antennas, the upgraded W-band array exhibits >30 dB additional gain and 20× improvement in noise temperature; an internal eight times multiplier chain is used to provide LO coupling, thereby eliminating the need for quasi-optical coupling. The horn-waveguide shielding housing avoids out-of-band noise interference on each module. The upgraded ECEI system plays an important role for absolute electron temperature and fluctuation measurements for edge and core region transport physics studies. An F-band receiver chip (up to 140 GHz) is under development for additional fusion facilities with a higher toroidal magnetic field. Visualization diagnostics provide multi-scale and multi-dimensional data in plasma profile evolution. Finally, a significant aspect of imaging measurement is focusing on artificial intelligence for science applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Detection of the pairwise kinematic Sunyaev-Zel’dovich effect and pairwise velocity with DESI DR1 galaxies and ACT DR6 and Planck CMB data

We present a 9.3⁢𝜎 detection of the pairwise kinematic Sunyaev-Zel’dovich (kSZ) effect by combining a sample of 913,286 Luminous Red Galaxies (LRGs) from the Dark Energy Spectroscopic Instrument Data Release 1 (DESI DR1) catalog and coadded Atacama Cosmology Telescope (ACT DR6) and Planck cosmic microwave background (CMB) temperature maps. This represents the highest-significance pairwise kSZ measurement to date. The analysis uses three ACT CMB temperature maps: coadded 150 GHz, total frequency maps, and a component separated Internal Linear Combination (ILC) map, all of which cover 19,000 square degrees of the sky from Advanced ACTPol observations conducted between 2017 and 2022. Comparison of the results of these three maps serves as a consistency check for potential foreground contamination that may depend on the observation frequency. An estimate of the best-fit mass-averaged optical depth is obtained by comparing the pairwise kSZ curve with the linear theory prediction of the pairwise velocity under the best-fit Planck cosmology and is compared with predictions from simulations. This estimate serves as a reference point for future comparisons with thermal SZ–derived optical depth measurements for the same DESI cluster samples, which will be presented in a companion paper. Finally, we employ a machine learning approach, trained on simulations to estimate the optical depth for 456,803 DESI LRG-identified clusters within the simulated mass range ( ≳ 10 13 ⁢𝑀 ⊙ ). These are combined with the measured kSZ signal to infer the individual cluster peculiar velocities, providing the opportunity to constrain the behavior of gravity and the dark sector over a range of cosmic scales and epochs.

Gong, Yulin [Cornell University] (ORCID:0000000346↗
DOE OSTI2025

Optimizing Non-Terrestrial Hybrid RF/FSO Links With Reinforcement Learning: Navigating Through Clouds

In the pursuit of ubiquitous broadband connectivity, there has been a significant shift towards the vertical expansion of communication networks into space, particularly through the exploitation of low Earth orbit (LEO) satellite constellations, which are favored for their relatively low latency. However, this approach faces many challenges that need to be addressed, including atmospheric turbulence, high path loss, and dynamic cloud formations. High-altitude pseudo-satellites (HAPS) have emerged as promising relaying layers between LEO satellites and ground stations, enhancing coverage, latency, and direct terrestrial user connectivity. While radio frequency (RF) bands suffer from congestion and limited bandwidth, free space optical (FSO) communications offer higher data rates, but are susceptible to misalignment and weather-induced signal degradation. To address these challenges, a hybrid RF/FSO approach has been proposed to take advantage of both technologies by dynamic switching between RF and FSO based on propagation channel conditions. This paper introduces a reinforcement learning-based algorithm designed to optimize the trajectory of HAPS, maneuver around cloudy areas, and seamlessly switch between the RF and FSO communication modes to maximize the achievable capacity. The proposed approach aims to maximize system performance by intelligently adapting to environmental conditions and offering a promising solution for next-generation space communication networks.

actor-critic algorithm↗
DOE OSTI2022

Ultra-broadband mid-infrared generation in dispersion-engineered thin-film lithium niobate

Thin-film lithium niobate (TFLN) is an emerging platform for compact, low-power nonlinear-optical devices, and has been used extensively for near-infrared frequency conversion. Recent work has extended these devices to mid-infrared wavelengths, where broadly tunable sources may be used for chemical sensing. To this end, we demonstrate efficient and broadband difference frequency generation between a fixed 1-µm pump and a tunable telecom source in uniformly-poled TFLN-on-sapphire by harnessing the dispersion-engineering available in tightly-confining waveguides. We show a simultaneous 1–2 order-of-magnitude improvement in conversion efficiency and ∼5-fold enhancement of operating bandwidth for mid-infrared generation when compared to equal-length conventional lithium niobate waveguides. We also examine the effects of mid-infrared loss from surface-adsorbed water on the performance of these devices.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Probing ultrafast excited-state dynamics using EUV-IR six-wave-mixing emission spectroscopy

Non-linear processes such as four-wave-mixing have become instrumental in attosecond EUV spectroscopy. Using EUV high harmonics in conjunction with collinear near-infrared and mid-infrared fields, we extended this approach to high-order-mixing between three colors. Specifically, we find that atomic resonances in neon exhibit a significant cross section for six-wave mixing. The MIR probe frequency tunability in our multicolor scheme is employed to access several optically dark resonances and probe the quantum beat of a coherent electronic wavepacket using background-free EUV emission as a diagnostic. This technique can be easily extended to other atomic and molecular systems, and opens the door to multi-dimensional non-linear spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

3D printing of High Precision Radiation Filters for next generation Cosmic Background (CMB) studies (Final Report)

The terahertz (THz) spectral range is the part of the electromagnetic spectrum between 0.1–10 THz or 0.03–3 mm wavelength. For a long period, the terahertz band was relatively unexplored due to the unavailability of cost-effective and powerful sources. Due to the evolution of these devices in the mid-1980s, however, terahertz radiation has attracted much more attention. Since this part of the spectrum is between the infrared (IR) and microwave frequency ranges, the development of waveguides, filters, polarizers, lenses, and other optical components. Since terahertz waves to penetrate most dielectric materials offers the possibility of many applications. Since terahertz radiation can pass through organic tissue without causing damage, and it can be safely applied for biomedical applications. Radio astronomy and wireless communication are also fields with great interest in this spectral range. For example, terahertz waves could be used to detect cold bodies and debris in space or to increase data transmission using the larger bandwidth of the terahertz band.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

422 Million intrinsic quality factor planar integrated all-waveguide resonator with sub-MHz linewidth

High quality-factor (Q) optical resonators are a key component for ultra-narrow linewidth lasers, frequency stabilization, precision spectroscopy and quantum applications. Integration in a photonic waveguide platform is key to reducing cost, size, power and sensitivity to environmental disturbances. However, to date, the Q of all-waveguide resonators has been relegated to below 260 Million. Here, we report a Si 3 N 4 resonator with 422 Million intrinsic and 3.4 Billion absorption-limited Qs. The resonator has 453 kHz intrinsic, 906 kHz loaded, and 57 kHz absorption-limited linewidths and the corresponding 0.060 dB m -1 loss is the lowest reported to date for waveguides with deposited oxide upper cladding. These results are achieved through a careful reduction of scattering and absorption losses that we simulate, quantify and correlate to measurements. This advancement in waveguide resonator technology paves the way to all-waveguide Billion Q cavities for applications including nonlinear optics, atomic clocks, quantum photonics and high-capacity fiber communications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Zinc oxide (ZnO) hybrid metasurfaces exhibiting broadly tunable topological properties

Extreme light confinement observed in periodic photonic structures, such as the vortex singularities in momentum (k) space, has been associated with their topological nature. Consequently, by exploiting and tuning their topological properties, optical metasurfaces have been demonstrated as an attractive platform for active photonics. However, given the fact that most active media under external excitations can only provide limited refractive index change, the potential advancements offered by the topological character of active metasurfaces have remained mostly unexplored. Zinc oxide (ZnO), which has recently exhibited optically-induced extraordinarily large permittivity modulations at visible and near-infrared frequencies, is an excellent active material for dynamic metasurfaces exhibiting strong tuning. This work demonstrates that a hybrid metasurface consisting of an array of ZnO nanodisks on a silver backplane displays broadly tunable topological properties. In particular, by performing k-space scattering simulations using measured pump-fluence-dependent material properties of ZnO, we study in detail the light reflection from the hybrid metasurface. Our results validate that the large k-space topology tuning of the metasurface can result in enormously strong polarization manipulation of near-infrared light in the vicinity of the topological features. The observed polarization switching effect is highly sensitive to the polarization and wavelength of an incident wave, owing to the symmetry and dispersion characteristics of the proposed system. Our study indicates that leveraging a combination of the extraordinary material properties and the k-space topology, hybrid metasurfaces based on ZnO may open new avenues for creating all-optical switchable metadevices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Trapping of lithium atoms in a large hollow optical dipole trap

We describe the trapping of lithium atoms in an optical dipole trap about 1 mm in size, with a nearly rectangular potential. The trap has the shape of a cylinder with flat bases. The confinement region is bounded by thin walls produced by light with a frequency blue-detuned from an atomic transition (resonance) frequency by 19 GHz. Before trapping, the gas is collected and cooled in a magneto-optical trap whose centre nearly coincides with the centre of the dipole trap. After switching off the magneto-optical trap, we have photographed the atoms remaining in the dipole trap. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals

Langmuir–Blodgett (LB) film deposition gives an opportunity to control the packing density and orientation of anisotropic nanoparticles at a monolayer level, allowing accurate characterization of their anisotropic material properties. Additionally, the uniaxial deposition of rod-shaped cellulose nanocrystals (CNCs) over a macroscopically large area is achieved by aligning the long axis of CNCs on the LB trough with the direction of the maximum drag force within the meniscus during the vertical pulling of the substrate from the LB trough. On the uniaxially-aligned LB films, anisotropic linear and non-linear optical properties of CNCs are obtained using Mueller matrix spectroscopy and sum frequency generation spectroscopy, respectively, and explained with time-dependent density functional theory calculations. Also, the frictional anisotropy of the LB film is measured using atomic force microscopy and explained theoretically. The findings of this study will be valuable for preparation of anisotropic nanoparticle thin films with uniform arrangements and utilization of their anisotropic material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fully Arbitrary Control of Frequency-Bin Qubits

Accurate control of two-level systems is a longstanding problem in quantum mechanics. One such quantum system is the frequency-bin qubit: a single photon existing in superposition of two discrete frequency modes. In this Letter, we demonstrate fully arbitrary control of frequency-bin qubits in a quantum frequency processor for the first time. Furthermore, we numerically establish optimal settings for multiple configurations of electro-optic phase modulators and pulse shapers, experimentally confirming near-unity mode-transformation fidelity for all fundamental rotations. Performance at the single-photon level is validated through the rotation of a single frequency-bin qubit to 41 points spread over the entire Bloch sphere, as well as tracking of the state path followed by the output of a tunable frequency beam splitter, with Bayesian tomography confirming state fidelities Fρ>0.98 for all cases. Overall, such high-fidelity transformations expand the practical potential of frequency encoding in quantum communications, offering exceptional precision and low noise in general qubit manipulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Plastic Laminate Antireflective Coatings for Millimeter-Wave Optics in BICEP Array

The BICEP/Keck series of experiments target the cosmic microwave background at degree-scale resolution from the South Pole. Over the next few years, the “Stage-3” BICEP Array (BA) telescope will improve the program’s frequency coverage and sensitivity to primordial B-mode polarization by an order of magnitude. The first receiver in the array, BA1, began observing at 30/40 GHz in early 2020. The next two receivers, BA2 and BA3, are currently being assembled and will map the southern sky at frequencies ranging from 95 to 150 GHz. Common to all BA receivers is a refractive, on-axis, cryogenic optical design that focuses microwave radiation onto a focal plane populated with antenna-coupled bolometers. High-performance antireflective coatings up to 760 mm in aperture are needed for each element in the optical chain, and must withstand repeated thermal cycles down to 4 K. Here, in this work, we present the design and fabrication of the 30/40 GHz anti-reflection coatings for the recently deployed BA1 receiver, with indices matched to its various polyethylene, nylon and alumina optical components. We describe an epoxy coating technique designed for alumina optics, which achieves better than 80% transmission at room temperature. For polyethylene optical elements, we present a new heat-compression approach that allows low-density polytetrafluoroethylene AR layers to reach sub-percent reflected power. We describe the planned use of these methods for the next BA cryostats, which may inform technological choices for future small-aperture telescopes of the CMB-S4 experiment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Comparisons Between Array Derived Dynamic Strain Rate (ADDS) and Fiber‐Optic Distributed Acoustic Sensing (DAS) Strain Rate

Abstract Distributed acoustic sensing (DAS) strain rate and particle velocity can be compared through approximate scaling with medium velocity. We instead performed a direct comparison between array derived dynamic strain (ADDS) rate and DAS strain rate for six frequency bands. The PoroTomo project at Brady's Hot Springs, Nevada, deployed a 240‐geophone 3C array co‐located with fiber‐optic DAS system and 8.7 km of buried cable. We selected subsets of the geophone array to create four smaller arrays and computed ADDS. The horizontal components of the ADDS were rotated into the direction of the fiber‐optic cable and then compared with the observed DAS strain rates. From three example regional earthquakes of local magnitudes 2.9, 4.1, and 4.3, the ADDS are found to be coherent with DAS for frequencies ≤1 Hz. For frequencies >1‐Hz, this correlation decays quickly. Small differences between linear and areal dynamic strains at 1‐Hz suggest poor signal‐to‐noise or localized strain that is perturbed by shallow heterogeneities compare to the average strain propagating across the geophone array. The implication is that around 1‐Hz, straight fiber DAS is measuring axial strain along the fiber and can provide good approximations to translational particle motions. However, above 1‐Hz, DAS becomes more sensitive to shallow velocity gradients that can be beneficial for geophysical imaging yet becomes a limitation for traditional seismic analysis methods depending on absolute amplitude and phase from translational particle motions.

58 GEOSCIENCES↗
DOE OSTI2025

High sensitivity pressure and temperature quantum sensing in pentacene-doped p-terphenyl single crystals

Quantum sensors’ responsiveness to their physical environment enables detection of variables such as temperature (T), pressure (P), and strain. We present a molecular platform for PT sensing using para-terphenyl crystals doped with pentacene (PDP), leveraging optically detected magnetic resonance (ODMR) of photoexcited triplet electron spins. We observe maximal frequency variations of df/dP=1.8 MHz/bar from 0-8 bar and df/dT=247 kHz/K from 79–330 K, over 1200 times and threefold greater, respectively, than those seen with nitrogen-vacancy centers in diamond and > 85-fold greater pressure sensitivity over the previous record. Density functional theory calculations indicate picometer-level PT-induced molecular orbital shifts are measurable via ODMR. PDP offers additional advantages including high sensor doping levels, narrow ODMR linewidths, high contrast, and low-cost single crystal growth. Overall, this work reports low-cost, optically-interrogated PT sensors and lays the foundation for increased versatility of quantum sensors through synthetic molecular design.

Magnetic properties and materials↗