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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Characterization of transverse electron pulse trains using RF powered traveling wave metallic comb striplines

Advancements in ultrafast electron microscopy have allowed elucidation of spatially selective structural dynamics. However, as the spatial resolution and imaging capabilities have made progress, quantitative characterization of the electron pulse trains has not been reported at the same rate. In fact, inexperienced users have difficulty replicating the technique because only a few dedicated microscopes have been characterized thoroughly. Systems replacing laser driven photoexcitation with electrically driven deflectors especially suffer from a lack of quantified characterization because of the limited quantity. The primary advantages to electrically driven systems are broader frequency ranges, ease of use and simple synchronization to electrical pumping. Here, we characterize the technical parameters for electrically driven UEM including the shape, size and duration of the electron pulses using low and high frequency chopping methods. At high frequencies, pulses are generated by sweeping the electron beam across a chopping aperture. For low frequencies, the beam is continuously forced off the optic axis by a DC potential, then momentarily aligned by a countering pulse. Using both methods, we present examples that measure probe durations of 2 ns and 10 ps for the low and high frequency techniques, respectively. Here, we also discuss how the implementation of a pulsed probe affects STEM imaging conditions by adjusting the first condenser lens.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optical telecommunications-band clock based on neutral titanium atoms

Here, we propose an optical clock based on ultranarrow transitions in neutral titanium, which exhibit small blackbody radiation and quadratic Zeeman shifts and have wavelengths in the S-, C-, and L-telecommunications fiber bands, allowing for integration with robust laser technology. We calculate relevant properties using a high-precision relativistic hybrid method that combines configuration interaction and coupled-cluster approaches. To identify magic wavelengths, we have completed the largest-to-date direct dynamical polarizability calculations. Finally, we identify challenges that arise from magnetic dipole-dipole interactions and describe an approach to overcome them. A telecommunications-band atomic frequency standard will aid the deployment of optical clock networks and clock comparisons over long distances.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Visible-to-THz near-field nanoscopy

Optical microscopy has a key role in research, development and quality control across a wide range of scientific, technological and medical fields. However, diffraction limits the spatial resolution of conventional optical instruments to about half the illumination wavelength. A technique that surpasses the diffraction limit in the wide spectral range between visible and terahertz frequencies is scattering-type scanning near-field optical microscopy (s-SNOM). The basis of s-SNOM is an atomic force microscope in which the tip is illuminated with light from the visible to the terahertz spectral range. By recording the elastically tip-scattered light while scanning the sample below the tip, s-SNOM yields near-field optical images with a remarkable resolution of 10 nm, simultaneously with the standard atomic force microscopic topography image. This resolution is independent of the illumination wavelength, rendering s-SNOM a versatile nanoimaging and nanospectroscopy technique for fundamental and applied studies of materials, structures and phenomena. This Review presents an overview of the fundamental principles governing the measurement and interpretation of near-field contrasts and discusses key applications of s-SNOM. We also showcase emerging developments that enable s-SNOM to operate under various environmental conditions, including cryogenic temperatures, electric and magnetic fields, electrical currents, strain and liquid environments. Furthermore, all these recent developments broaden the applicability of s-SNOMs for exploring fundamental solid-state and quantum phenomena, biological matter, catalytic reactions and more.

Hillenbrand, Rainer [CIC nanoGUNE BRTA and Departm↗
DOE OSTI2026

Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects

Simulations of optical spectra can provide key insights to aid experimental interpretation of electronic excitation phenomena. For chromophores in the condensed phase, these spectra, which incorporate the coupling between electronic excitation and molecular and solvent nuclear motions, can be simulated using excitation energies obtained from molecular dynamics simulations of the chromophore and solvent. Here, we present a hybrid scheme that exploits machine learning and physically informed spectral densities to show that as few as 25 ground and excited state energetic gradient calculations can be used to construct models that accurately predict environment-influenced vibronic coupling in optical spectra. We demonstrate our approach for the green fluorescent protein chromophore in water and the cresyl violet chromophore in methanol. We show that our hybrid approach, employing a machine learning model for the high-frequency spectral density and an ab initio parameterized Debye spectral density for the low-frequency, results in a systematic improvement of the optical absorption lineshape, leading to a simple machine learning scheme that can be used for the simulation of spectral densities and optical spectra.

Snider, Andrew [Univ. of California, Merced, CA (U↗
DOE OSTI2024

Statistical mechanics and pressure of composite multimoded weakly nonlinear optical systems

Statistical mechanics can provide a versatile theoretical framework for investigating the collective dynamics of weakly nonlinear-wave settings that can be utterly complex to describe otherwise. In optics, composite systems arise due to interactions between different frequencies and polarizations. The purpose of this work is to develop a thermodynamic theory that takes into account the synergistic action of multiple components. We find that the type of the nonlinearity involved can have important implications in the thermalization process and, hence, can lead to different thermal equilibrium conditions. Importantly, we derive closed-form expressions for the actual optomechanical pressure that is exerted on the system. In particular, the total optomechanical pressure is the sum of the partial pressures due to each component. Our results can be applied to a variety of weakly nonlinear optical settings such as multimode fibers, bulk waveguides, photonic lattices, and coupled microresonators. We present two specific examples, where two colors interact in a one-waveguide array with either a cubic or quadratic nonlinearity.

Efremidis, Nikolaos K. (ORCID:0000000298300268)↗
DOE OSTI2022

36 Hz integral linewidth laser based on a photonic integrated 4.0 m coil resonator

Laser stabilization sits at the heart of many precision scientific experiments and applications, including quantum information science, metrology, and atomic timekeeping. Many of these systems narrow the laser linewidth and stabilize the carrier by use of Pound–Drever–Hall (PDH) locking to a table-scale, ultrahigh quality factor (Q), vacuum spaced Fabry–Perot reference cavity. Integrating these cavities to bring characteristics of PDH stabilization to the chip scale is critical to reducing their size, cost, and weight, and enabling a wide range of portable and system-on-chip applications. We report a significant advance in integrated laser linewidth narrowing, stabilization, and noise reduction by use of a photonic integrated 4.0 m long coil resonator to stabilize a semiconductor laser. We achieve a 36 Hz 1 / π <#comment/> -integral linewidth, Allan deviation of 1.8 × <#comment/> 10 − <#comment/> 13 at 10 ms measurement time, and a 2.3 kHz/s drift—to the best of our knowledge, the lowest integral linewidth and highest stability demonstrated for an integrated waveguide reference cavity. This performance represents over an order of magnitude improvement in integral linewidth and frequency noise over previous integrated waveguide PDH stabilized reference cavities and bulk-optic and integrated injection locked approaches, and over two orders of magnitude improvement in frequency and phase noise than integrated injection locked approaches. Two different wavelength coil designs are demonstrated, stabilizing lasers at 1550 nm and 1319 nm. The resonator is bus-coupled to a 4.0 m long coil, with a 49 MHz free spectral range, mode volume of 1.0 × <#comment/> 10 10 µ <#comment/> m 3 , and 142 million intrinsic Q , fabricated in a CMOS compatible, ultralow loss silicon nitride waveguide platform. Our measurements and simulations show that the thermorefractive noise floor for this particular cavity is reached for frequencies down to 20 Hz in an ambient environment with simple passive vibration isolation and without vacuum or thermal isolation. The thermorefractive noise limited performance is estimated to yield an 8 Hz 1 / π <#comment/> -integral linewidth and Allan deviation of 5 × <#comment/> 10 − <#comment/> 14 at 10 ms, opening a stability regime that heretofore has been available only in fundamentally non-integrated systems. These results demonstrate the potential to bring the characteristics of laboratory-scale stabilized lasers to the integrated, wafer-scale compatible chip scale, and are of interest for a number of applications in quantum technologies and atomic, molecular, and optical physics, and with further developments below 10 Hz linewidth, can be highly relevant to ultralow noise microwave generation.

Liu, Kaikai (ORCID:0000000213609646)↗
DOE OSTI2022

In-plane and out-of-plane optical response of the nodal-line semimetals ZrGeS and ZrGeSe

Polarization-dependent reflectivity measurements were carried out over a broad frequency range on single-crystalline ZrGeSe and ZrGeS compounds, which are closely related to the prototype nodal-line semimetal ZrSiS. These measurements revealed the strongly anisotropic character of both ZrGeSe and ZrGeS, with a reduced plasma frequency for the out-of-plane direction E∥c as compared with the in-plane direction E ∥ ab. For E ∥ ab, the optical conductivity spectrum consists of two Drude terms followed by a shoulder or plateaulike behavior and a distinct U shape at higher energies, while for E ∥ c, one Drude term is followed by a peaklike behavior, and the U shape of the profile is less developed. Under external pressure, two prominent excitations appear in the out-of-plane optical conductivity spectrum of ZrGeSe, whose frequency position and oscillator strength show a weak anomaly at ~3 GPa. Overall, the pressure-induced changes in the profile of the E∥c conductivity spectrum are much enhanced >~3 GPa. We compare our results to those recently reported for ZrSiS in a quantitative manner.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ultrafast-induced coherent acoustic phonons in the two-dimensional magnet CrSBr

Magnetism in two-dimensional (2D) van der Waals (vdW) crystals offers promising new directions for low-dimensional physics and devices. In this work, mega-electron volt (MeV) ultrafast electron diffraction was employed to investigate the ultrafast atomic dynamics of a novel, 2D vdW magnetic single-crystal CrSBr. Femtosecond (fs) optical pump pulses excited non-equilibrium atomic displacements shown to be coherent acoustic phonons (CAPs). Phonon frequencies were extracted by analyzing oscillations of different Bragg peak (BP) intensities and were determined to be GHz acoustic disturbances that propagated as strain waves. Phonon modes exhibit anisotropy with respect to the a and b crystal axes. Subharmonic phonon frequencies were also observed, and this provided a signature of nonlinear oscillatory coupling between the laser-induced pumping phonon frequency and secondary phonon frequencies. Thus, CrSBr was found to serve as a nonlinear phononic frequency converter. The ultrafast time dependence of the Bragg intensity was simulated by incorporating an oscillating deviation parameter ansatz into expressions for the dynamical scattering intensity yielded excellent modeling of the ultrafast structural dynamics of the photo-excited 2D crystal. Our work provides a foundation for exploring how fs light pulses can influence phonon dynamics in materials with strong spin-lattice coupling. These results suggest that CAPs can match the magnon frequencies and show the promise of CrSBr for use in optical-to-microwave transducers and phononic devices.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Development and application of a low-noise, high-speed optical detector module for carbon density fluctuation measurements on Wendelstein 7-X

A low-noise, high-speed optical detector module is characterized and successfully commissioned for the measurement of high-frequency, low-intensity beam emission on Wendelstein 7-X (W7-X). An ultra-narrow bandpass optical filter is employed to selectively transmit the desired emission line while suppressing broadband plasma background emissions. Carbon density fluctuations are investigated by observing the carbon C-VI emission line (n = 8 → 7, λ ∼ 529 nm), arising from charge exchange (CX) between the neutral beam atoms and the intrinsic carbon population. Here, we present the characterization of the optical detector module and experimental measurements of carbon density fluctuations using available fibers on W7-X. The initial performance of the detector is presented in both active and passive CX measurements of intrinsic carbon density fluctuations. The low frequency dynamics of fluctuation is observed in response to the neutral beam and the pellet injection, demonstrating that the optical detector module is capable of providing a sufficient signal level with an adequate signal-to-noise ratio. In the upcoming OP2.4 campaign, this optical detector module will be adapted for use in a beam emission spectroscopy system by replacing the optical bandpass filter with one centered at 654 nm (90% transmission: 653–655.3 nm), which facilitates two-dimensional measurements of ion gyro-scale turbulence on W7-X.

Charge exchange recombination spectroscopy↗
DOE OSTI2026

A metastable tetragonal phase in two-dimensional halide perovskite lattices driven by a coherent Higgs mode

The optoelectronic properties of metal halide perovskites are defined by their coupled structural and photophysical properties, yet their lattice behaviour remains underexplored. Here, using impulsive stimulated Raman spectroscopy, we study light-induced phonon dynamics of two-dimensional butylammonium lead iodide ((BA) 2 PbI 4 ) films under varying excitation intensities, photon energies and temperatures. We reveal that, whereas (BA) 2 PbI 4 exhibits two thermally accessible orthorhombic phases, optically excited phonons transiently direct the lattice to a distinct, higher symmetry tetragonal phase. We show that bandgap oscillations arise from simultaneous distortions of in-plane and out-of-plane octahedral tilt angles with oscillations following a low-to-high symmetry pathway, marked by two vibrational frequencies independent of intensity—a signature of an optically excited Higgs mode. Notably, the Higgs mode at below-bandgap excitation induces a fourfold larger spectral shift than above-bandgap, where photogenerated charge carriers drive the system away from the optically induced tetragonal phase. This study illustrates how optomechanical coupling influences the optical properties of two-dimensional perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spatially co-registered wide-field nonlinear optical imaging of living and complex biosystems in a total internal reflection geometry

Nonlinear optical microscopy that leverages an objective based total internal reflection (TIR) excitation scheme is an attractive means for rapid, wide-field imaging with enhanced surface sensitivity. Through select combinations of distinct modalities, one can, in principle, access complementary chemical and structural information for various chemical species near interfaces. Here, we report a successful implementation of such a wide-field nonlinear optical microscope system, which combines coherent anti-Stokes Raman scattering (CARS), two-photon fluorescence (TPF), second harmonic generation (SHG), and sum frequency generation (SFG) modalities on the same platform. The intense optical fields needed to drive these high order nonlinear optical processes are achieved through the use of femtosecond pulsed light in combination with the intrinsic field confinement induced by TIR over a large field of view. The performance of our multimodal microscope was first assessed through the experimental determination of its chemical fidelity, intensity and polarization dependences, and spatial resolution using a set of well-defined model systems. Subsequently, its unique capabilities were validated through imaging complex biological systems, including Hydrangea quercifolia pollen grains and Pantoea sp. YR343 bacterial cells. Specifically, the spatial distribution of different molecular groups in the former was visualized via vibrational contrast mechanisms of CARS, whereas co-registered TPF imaging allowed the identification of spatially localized intrinsic fluorophores. We further demonstrate the feasibility of our microscope for wide-field CARS imaging on live cells through independent characterization of cell viability using spatially co-registered TPF imaging. Overall, this approach to TIR enabled wide-field imaging is expected to provide new insights into bacterial strains and their interactions with other species in the rhizosphere in a time-resolved and chemically selective manner.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Production of two-colour radiation with polarisations of components rotating in opposite directions

A method is proposed for the production of two-colour radiation with monochromatic components, the polarisation vectors of which rotate in opposite directions, and the rotation speed is controlled by the sound frequency. The method is based on acousto-optic (AO) interaction upon double passage of two-colour radiation through an AO cell made of a gyrotropic crystal; the method efficiency is demonstrated by the example of radiation from an Ar laser generating at wavelengths of 0.488 and 0.514 μm and an AO cell made of TeO{sub 2}, operating at a sound frequency of 60 MHz. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Hypervelocity impact flash expansion geometry under various spacecraft surface electrical conditions

A more congested space environment due to increasing space activities introduces new threats to spacecraft operators. Among these threats include hypervelocity impacts from microparticles (< 1 µg) in the form of meteoroids and space debris. These microparticles travel at speeds between 11.2 and 72.8 km/s with respect to the Earth and can impact spacecraft forming a small (~1 µm) and dense (~ 10 26 m -3 ) plasma. This plasma can generate a strong optical emission (impact flash) and a radio frequency (RF) emission. These emissions can lead to spacecraft electrical anomalies when the impacted spacecraft surface (target) carries high electrical potential due to various space weather effects. To understand the microparticle hypervelocity impact plasma and its associated threat to spacecraft electronics, we studied the hypervelocity impact flash expansion geometry under various spacecraft surface electrical conditions. Three high-speed broadband photomultiplier tubes (PMT) are used to capture the temporal evolution of the impact flash and the temporal evolution of the angular distribution of the impact flash expansion geometry in a 3 MV electrostatic dust accelerator during a ground-based experiment. Overall, results indicate that the impact surface electrical condition has a statistically significant influence on the impact flash geometry, and a strong similarity between the impact plasma and flash expansion geometry. Thus, this paper provides new experimental support for the impact flash origin from and connection with the impact plasma, and serves as the first impact flash expansion geometry characterization under various impact surface electrical conditions in a collisionless environment (< 10 -5 Torr).

42 ENGINEERING↗
DOE OSTI2023

Origins of heat transport anisotropy in MoTe2 and other bulk van der Waals materials

Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe 2 . MoTe 2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe 2 along the c-axis is 5–8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe 2 , BP, h-BN, and MoS 2 ), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. Further, the discrepancy in frequency of the heat-carrying phonons also leads to ~2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simulation study of high-current 7 Li 3+ beam acceleration with laser ion source and RFQ linac using direct plasma injection

Accelerator-based neutron sources (ABNS) utilizing the 7 Li(p,n) 7 Be reaction in inverse kinematics offer strong forward-directed neutron emission, making them attractive for compact and clean neutron source with low background neutrons and unwanted radiation. However, practical use of such systems requires lithium ion beam currents that exceed the capability of conventional ion accelerators by two orders of magnitude. In this study, we numerically designed and evaluated a high-current acceleration system based on a direct plasma injection scheme (DPIS), combining a laser ion source (LIS) and a radio-frequency quadrupole (RFQ) linac. The ion extraction optics and RFQ entrance were optimized using IGUN, OPERA, and GPT, demonstrating that over 1.2 A-class beam current can be injected into the RFQ. The RFQ structure was designed under realistic engineering constraints including surface field strength (Kilpatrick factor) and RF power. GPT simulations showed that a 370 mA 7 Li 3+ beam can be successfully accelerated within a ±10 % energy spread. To validate downstream compatibility, we also designed a simplified medium-energy beam transport (MEBT) section and an interdigital H-type (IH) linac, confirming successful acceleration of a 320 mA beam to the total energy of 14 MeV. These results support the feasibility of the DPIS and RFQ approach as a promising solution for compact neutron sources and other high-intensity ion beam applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Instrument for in situ hard x-ray nanobeam characterization during epitaxial crystallization and materials transformations

Solid-phase epitaxy (SPE) and other three-dimensional epitaxial crystallization processes pose challenging structural and chemical characterization problems. The concentration of defects, the spatial distribution of elastic strain, and the chemical state of ions each vary with nanoscale characteristic length scales and depend sensitively on the gas environment and elastic boundary conditions during growth. The lateral or three-dimensional propagation of crystalline interfaces in SPE has nanoscale or submicrometer characteristic distances during typical crystallization times. Here, an in situ synchrotron hard x-ray instrument allows these features to be studied during deposition and crystallization using diffraction, resonant scattering, nanobeam and coherent diffraction imaging, and reflectivity. The instrument incorporates a compact deposition system allowing the use of short-working-distance x-ray focusing optics. Layers are deposited using radio-frequency magnetron sputtering and evaporation sources. The deposition system provides control of the gas atmosphere and sample temperature. The sample is positioned using a stable mechanical design to minimize vibration and drift and employs precise translation stages to enable nanobeam experiments. Results of in situ x-ray characterization of the amorphous thin film deposition process for a SrTiO 3 /BaTiO 3 multilayer illustrate implementation of this instrument.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange

We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including G 0 W 0 and the Bethe–Salpeter equation (BSE), for hybrid density functional theory starting points. We show that by approximating the exact exchange operator with the low-rank ACE operator, substantial computational savings can be achieved with systematically controllable errors in the quasiparticle energies computed with full-frequency G 0 W 0 and the optical absorption spectra and vertical excitation energies computed by solving the BSE within density matrix perturbation theory. Our implementation makes use of the ACE-accelerated electronic Hamiltonian to carry out both G 0 W 0 and BSE without explicitly computing empty states. We show the robustness of the approach and present the computational gains obtained on both the central processing unit and graphics processing unit nodes. In conclusion, our work will facilitate the exploration and evaluation of fine-tuned hybrid starting points aimed at enhancing the accuracy of MBPT calculations without involving computationally demanding self-consistency in Hedin’s equations.

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

Strongly Coupled Plasmon and Phonon Polaritons as Seen by Photon and Electron Probes

The ability to control and modify infrared excitations in condensed matter is of both fundamental and applied interest. Here we explore a system supporting low-energy excitations, in particular, mid-infrared localized plasmon modes and phonon polaritons that are tuned to be strongly coupled. We study the coupled modes by using far-field infrared spectroscopy, state-of-the-art monochromated electron energy-loss spectroscopy, numerical simulations, and analytical modeling. Here we demonstrate that the electron probe facilitates a precise characterization of polaritons constituting the coupled system, and enables an active control over the coupling and the resulting sample response both in frequency and space. Although far-field optical spectra can be substantially different from near-field electron energy-loss spectra, we show that a direct comparison is possible via postprocessing and right positioning of the electron beam. The resulting spectra allow us to evaluate the key parameters of the coupled system, such as the coupling strength, which we demonstrate to be probe independent. Our work establishes a rigorous description of the spectral features observed in light- and localized electron-based spectroscopies, which can be extended to the analysis of analogous optical systems with applications in heat management and electromagnetic field concentration or nanofocusing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗