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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

Abstract An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba 2 FeSi 2 O 7 reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Charge carrier coupling to the soft phonon mode in a ferroelectric semiconductor

Many crystalline solids possess strongly anharmonic “soft” phonon modes characterized by diminishing frequency as temperature approaches a critical point associated with a symmetry breaking phase transition. While electron–soft phonon coupling can introduce unique scattering channels for charge carriers in ferroelectrics, recent studies on the nonferroelectric lead halide perovskites have also suggested the central role of anharmonic phonons bearing resemblance to soft modes in charge carrier screening. Here we apply coherent phonon spectroscopy to directly study electron coupling to the soft transverse optical phonon mode in a ferroelectric semiconductor SbSI. Photogenerated charge carriers in SbSI are found to be exceptionally long lived and are associated with a transient electro-optical effect that can be explained by interactions between charge carriers and thermally stimulated soft phonon excitations. Furthermore, these results provide strong evidence for the role of electron–soft phonon coupling in the efficient screening of charge carriers and in reducing charge recombination rates, both desirable properties for optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Relativistic spin hydrodynamics with torsion and linear response theory for spin relaxation

Using the second law of local thermodynamics and the first-order Palatini formalism, we formulate relativistic spin hydrodynamics for quantum field theories with Dirac fermions, such as QED and QCD, in a torsionful curved background. We work in a regime where spin density, which is assumed to relax much slower than other non-hydrodynamic modes, is treated as an independent degree of freedom in an extended hydrodynamic description. Spin hydrodynamics in our approach contains only three non-hydrodynamic modes corresponding to a spin vector, whose relaxation time is controlled by a new transport coefficient: the rotational viscosity. We study linear response theory and observe an interesting mode mixing phenomenon between the transverse shear and the spin density modes. We propose several field-theoretical ways to compute the spin relaxation time and the rotational viscosity, via the Green-Kubo formula based on retarded correlation functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Superconductivity from the Slater mode: Application to KTaO 3 heterostructures

Superconductivity has been observed for the 2D electron gas (2DEG) at the interface of KTaO 3 with other oxides, with a transition temperature about an order of magnitude higher than its 3⁢𝑑 cousin SrTiO 3 . Here, the superconducting transition temperature is strongly dependent on the orientation of the interface. Motivated by this observation, we study pairing due to the exchange of the soft transverse optic phonon mode characteristic of quantum paraelectrics and use the resulting theory to comment on the nature of superconductivity of this 2DEG. We find (1) an orientation dependence consistent with experiment along with an anisotropic gap function, but (2) a BCS coupling constant that is smaller than needed and so must be augmented by contributions from other phonons to be consistent with the observed values of 𝑇 𝑐 .

Norman, M. R. [Argonne National Laboratory (ANL), ↗
DOE OSTI2023

Anisotropic leaky-like perturbation with subwavelength gratings enables zero crosstalk

Abstract Electromagnetic coupling via an evanescent field or radiative wave is a primary characteristic of light, allowing optical signal/power transfer in a photonic circuit but limiting integration density. A leaky mode, which combines both evanescent field and radiative wave, causes stronger coupling and is thus considered not ideal for dense integration. Here we show that a leaky oscillation with anisotropic perturbation rather can achieve completely zero crosstalk realized by subwavelength grating (SWG) metamaterials. The oscillating fields in the SWGs enable coupling coefficients in each direction to counteract each other, resulting in completely zero crosstalk. We experimentally demonstrate such an extraordinarily low coupling between closely spaced identical leaky SWG waveguides, suppressing the crosstalk by ≈40 dB compared to conventional strip waveguides, corresponding to ≈100 times longer coupling length. This leaky-SWG suppresses the crosstalk of transverse–magnetic (TM) mode, which is challenging due to its low confinement, and marks a novel approach in electromagnetic coupling applicable to other spectral regimes and generic devices.

42 ENGINEERING↗
DOE OSTI2025

First principles free energy model with dynamic magnetism for δ -plutonium

We present an ab initio free energy model derived from a fully relativistic density functional theory (DFT) electronic structure with dynamic magnetism for δ -plutonium (face-centered cubic, fcc). The DFT model is extended with orbital-orbital interaction in a parameter free orbital polarization (OP) mechanism consistent with previous modeling of plutonium. Gibbs free energy is built from components associated with the temperature dependence of the electronic structure and the corresponding electronic entropy, lattice vibrations within an anharmonic lattice dynamics model, and dynamical fluctuations of the magnetization density, i.e. magnetic fluctuations. The fluctuation model consists of transverse and longitudinal modes driven by temperature induced excitations of the DFT + OP electronic structure. The ab initio model thus incorporates fluctuating states beyond the electronic ground state. Thanks to the dynamic magnetism, the theory predicts excellent thermodynamic properties and a Gibbs free energy in accord with CALPHAD and semi-empirical modeling developed from the thermodynamic observables. The magnetic fluctuations further explain anomalous behaviors of the thermal expansion in plutonium. Specifically, a thermal expansion for the δ -plutonium system turning from positive to negative at temperatures above room temperature, a tendency for gallium to reduce and remove the negative thermal expansion depending on composition, and a positive thermal expansion for the high temperature ϵ phase.

dynamic↗
DOE OSTI2026

Parametric amplification of spin-motion coupling in three-dimensional trapped-ion crystals

Three-dimensional (3D) crystals offer a route to scaling up trapped-ion systems for quantum sensing and quantum simulation applications; however, engineering coherent spin-motion couplings and effective spin-spin interactions in large crystals poses technical challenges associated with decoherence and prolonged timescales to generate appreciable entanglement. Here, we explore the possibility of speeding up these interactions in 3D crystals via parametric amplification. For this purpose, we derive a general Hamiltonian for the parametric amplification of spin-motion coupling that is broadly applicable to normal modes with motion transverse to or along the spatial extent of the crystal. Unlike in lower-dimensional crystals, we find that the ability to faithfully (uniformly) amplify the spin-spin interactions in 3D crystals depends on the physical implementation of the spin-motion coupling. We consider the light-shift gate, and the so-called phase-insensitive and phase-sensitive Mølmer-Sørensen (MS) gates, and we find that only the phase-sensitive MS gate can be faithfully amplified in general 3D crystals. We discuss a situation where nonuniform amplification can be advantageous. We also reconsider the effect of counter-rotating terms on parametric amplification and find that they are not as detrimental as previous studies suggest.

Optical parametric oscillators & amplifiers↗
DOE OSTI2020

Anisotropic superconductivity mediated by ferroelectric fluctuations in cubic systems with spin-orbit coupling

Motivated by the experimental observation that superconductivity in bulk doped SrTiO 3 is enhanced as a putative ferroelectric quantum critical point (FE-QCP) is approached, we study the pairing instability of a cubic system in which electrons exchange low-energy ferroelectric fluctuations. Instead of the gradient coupling to the lattice distortion associated with ferroelectricity, we consider direct coupling between the electrons and the bosonic ferroelectric field that appears in the presence of spin-orbit coupling. Working in the weak-coupling regime, we find that the pairing interaction is dominated by the soft transverse optical (TO) mode, resulting in a Tc enhancement upon approaching the FE-QCP. Focusing on even-parity states, we find that although the s-wave state always wins, states with higher Cooper-pair angular momentum become close competitors as the TO mode softens. We show that the cubic anisotropy of the FE fluctuations mixes the s-wave and g-wave states, resulting in a characteristic anisotropy of the gap function. Here, the gap anisotropy behaves nonmonotonically as the FE-QCP is approached: upon decreasing the TO mode frequency, the gap anisotropy first changes sign and then increases in magnitude. We discuss the possible applications of our results to the superconducting state of SrTiO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Superconducting properties of MoTe 2 from ab initio anisotropic Migdal-Eliashberg theory

Molybdenum ditelluride (MoTe 2 ) is attracting considerable interest since it is the archetypal type-II Weyl semimetal and a candidate for topological superconductivity. In this work, we investigate the superconducting phase diagram of two MoTe 2 polymorphs using the ab initio anisotropic Migdal-Eliashberg theory, and we show that the superconducting dome originates from the synergistic contribution of the density of states at the Fermi level and the transverse acoustic Te modes in the 1$\textit{T}’$ phase. We find that the electron and hole pockets carry trivial $\textit{s}$-wave order parameters of slightly different magnitude, reminiscent of a two-gap structure as suggested by recent experiments. We suggest that a possible route for enhancing the superconducting critical temperature, and realizing $s_{+ –}$ pairing, in the $T_d$ phase is to exploit its nontrivial band topology via electron doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Soft elastic constants from phonon spectroscopy in hole-doped Ba 1-x (K,Na) x Fe 2 As 2 and Sr 1-x Na x Fe 2 As 2

We report inelastic x-ray scattering measurements of the in-plane polarized transverse acoustic phonon mode propagating along q ∥ [ 100 ] in various hole-doped compounds belonging to the 122 family of iron-based superconductors. Additionally, the slope of the dispersion of this phonon mode is proportional to the square root of the shear modulus C 66 in the q → 0 limit and, hence, sensitive to the tetragonal to orthorhombic structural phase transition occurring in these compounds. In contrast to a recent report for Ba ( Fe 0.94 Co 0.06 ) 2 As 2 [Weber et al. , Phys. Rev. B 98 , 014516 (2018) ], we find qualitative agreement between values of C 66 deduced from our experiments and those derived from measurements of the Young modulus in Ba 1 - x ( K , Na ) x Fe 2 As 2 at optimal doping. These results provide an upper limit of about 50 Å for the nematic correlation length for the investigated optimally hole-doped compounds. Furthermore, we also studied compounds at lower doping levels exhibiting the orthorhombic magnetic phase, where C 66 is not accessible by volume probes, as well as the C 4 tetragonal magnetic phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Magnetic Control of Soft Chiral Phonons in PbTe

We report PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this phonon via polarization-dependent terahertz spectroscopy. We observed softening of this mode with decreasing temperature, indicative of incipient ferroelectricity, which we explain through a model including strong anharmonicity with a quartic displacement term. In magnetic fields up to 25 T, the phonon mode splits into two modes with opposite handedness, exhibiting circular dichroism. Their frequencies display Zeeman splitting together with an overall diamagnetic shift with increasing magnetic field. Using a group-theoretical approach, we demonstrate that these observations are the result of magnetic field-induced morphic changes in the crystal symmetries through the Lorentz force exerted on the lattice ions. Thus, our Letter reveals a novel process of controlling phonon properties in a soft ionic lattice by a strong magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhancement and Saturation of Near-Field Radiative Heat Transfer in Nanogaps between Metallic Surfaces

Near-field radiative heat transfer (NFRHT) between planar metallic surfaces was computationally explored over five decades ago by Polder and van Hove [Phys. Rev. B 4, 3303 (1971)]. These studies predicted that, as the gap size (d) between the surfaces decreased, the radiative heat flux first increases by several orders of magnitude until d is ~100 nm after which the heat flux saturates. However, despite both the fundamental and practical importance of these predictions, the combined enhancement and saturation of NFRHT at small gaps in metallic surfaces remains experimentally unverified. Here, we probe NFRHT between planar metallic (Pt, Au) surfaces and show that RHT rates can exceed the far-field rate by over a thousand times when d is reduced to ~25 nm. More importantly, we show that for small values of d RHT saturates due to the dominant contributions from transverse electric evanescent modes. Finally, our results are in excellent agreement with the predictions of fluctuational electrodynamics and are expected to inform the development of technologies such as near-field thermophotovoltaics, radiative heat-assisted magnetic recording, and nanolithography.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrated polarization-free Bragg filters with subwavelength gratings for photonic sensing

We present polarization-free Bragg filters having subwavelength gratings (SWGs) in the lateral cladding region. This Bragg design expands modal fields toward upper cladding, resulting in enhanced light interaction with sensing analytes. Two device configurations are proposed and examined, one with index-matched coupling between transverse electric (TE) and transverse magnetic (TM) modes and the other one with hybrid-mode (HM) coupling. Both configurations introduce a strong coupling between two orthogonal modes (either TE-TM or HM 1 -HM 2 ) and rotate the polarization of the input wave through Bragg reflection. The arrangements of SWGs help to achieve two configurations with different orthogonal modes, while expanding modal profiles toward the upper cladding region. Our proposed SWG-assisted Bragg gratings with polarization independency eliminate the need for a polarization controller and effectively tailor the modal properties, enhancing the potential of integrated photonic sensing applications.

Optics↗
DOE OSTI2023

Polarization-independent photonic Bragg grating filter with cladding asymmetry

A photonic Bragg grating is a fundamental building block that reflects the direction of wave propagation through spatial phase modulation and can be implemented using sidewall corrugation. However, due to the asymmetric aspect ratio of a waveguide cross section, typical Bragg gratings exhibit a strong polarization sensitivity. Here, we show that photonic Bragg gratings with cladding asymmetry can enable polarization-independent notch filters by rotating input polarizations. Such Bragg gratings strongly couple transverse electric (TE) and transverse magnetic (TM) modes propagating in opposite directions, filtering the input signal and reflecting the rotated mode. We analyzed this polarization-rotating Bragg grating using the coupled-mode theory and experimentally demonstrated it on a silicon-on-insulator platform. Our device concept is simple to implement and compatible with other platforms, readily available as polarization transparent Bragg components.

Pimbi, Daniel (ORCID:000000025933203X)↗
DOE OSTI2025

Exceptional points in a passive strip waveguide

Abstract Exceptional points (EPs) in non‐Hermitian systems have attracted significant interest due to their unique behaviors, including novel wave propagation and radiation. While EPs have been explored in various photonic systems, their integration into standard photonic platforms can expand their applicability to broader technological domains. In this work, we propose and experimentally demonstrate EPs in an integrated photonic strip waveguide configuration, exhibiting unique deep wave penetration and uniform‐intensity radiation profiles. By introducing the second‐order grating on one side of the waveguide, forward and backward propagating modes are coupled both directly through second‐order coupling and indirectly through first‐order coupling via a radiative intermediate mode. To describe the EP behavior in a strip configuration, we introduce modified coupled‐mode equations that account for both transverse and longitudinal components. These coupled‐mode formulas reveal the formation of EPs in bandgap closure, achieved by numerically optimizing the grating’s duty cycle to manipulate the first‐ and second‐order couplings simultaneously. Experimental observations, consistent with simulations, confirm the EP behavior, with symmetric transmission spectra and constant radiation profiles at the EP wavelength, in contrast to conventional exponential decay observed at detuned wavelengths. These results demonstrate the realization of EPs in a widely applicable strip waveguide configuration, paving the way for advanced EP applications in nonlinear and ultrafast photonics, as well as advanced sensing technologies.

Materials Science↗
DOE OSTI2022

Optimum Injector Parameters for Thermoacoustic Stability in a Multi-Nozzle Can Combustion System

Abstract High-frequency transverse instabilities are an important concern in can combustor configurations. In these configurations which are typically operated with multiple injectors around a central injector, each injector is subjected to different parts of the acoustic mode shape and thus respond differently for the same instability mode. Recent work by the author has modeled the response of premixed flames to excitation by natural high-frequency transverse modes in a can combustor both in the center and outer nozzles. The stability of these acoustically non-compact flames was assessed using the Rayleigh criterion (Rayleigh Integral denoted as RI) and not the overall unsteady heat release as is the case for compact flames. Several key control parameters were studied, namely — flame angle, swirling strength, nozzle location. For non-axisymmetric modes such as the commonly occurring 1-T mode, both radial and azimuthal offsets of the nozzle location affected stability. The framework was applied to an optimization study to identify the optimal combination of parameters that minimizes RI for the different nozzles in the multi-nozzle system. In this study, a N-around-1 configuration was studied, and the results indicated that the different nozzles needed to be operated at different flame angles and swirl numbers to result in an overall minimum RI. However, the specific response of the different injectors was not considered. The helical mode distribution at each injector varies as we azimuthally go around the combustor’s injector distribution and thus the most amplified mode and the resulting flame response would be different. To minimize RI, it is important to determine the injector configurations that result in a hydrodynamic profile that minimizes the individual RI for each nozzle. The resulting relationship between the injector’s flow and local hydrodynamics can then be used in a hydrodynamics study of an individual injector so that the most optimal injector is chosen depending on its location in the combustor dump plane.

Acharya, Vishal↗
DOE OSTI2020

Infrared-active phonon modes in single-crystal thorium dioxide and uranium dioxide

The infrared-active phonon modes, in single-crystal samples of thorium dioxide (ThO 2 ) and uranium dioxide (UO 2 ), were investigated using spectroscopic ellipsometry and compared with density functional theory. Both ThO 2 and UO 2 are found to have one infrared-active phonon mode pair [consisting of one transverse optic (TO) and one associated longitudinal optic (LO) mode], which is responsible for the dominant features in the ellipsometric data. Furthermore, at room temperature, our results for the mode pair’s resonant frequencies and broadening parameters are comparable with previous reflectance spectroscopy characterizations and density functional theory predictions. For ThO 2 , our ellipsometry and density function theory results both show that the LO mode broadening parameter is larger than the TO mode broadening. This signifies mode anharmonicity, which can be attributed to the intrinsic phonon–phonon interaction. In addition to the main mode pair, a broad low-amplitude impurity-like vibrational mode pair is detected within the reststrahlen band for both ThO 2 and UO 2 . Elevated temperature measurements were performed for ThO 2 in order to study the mechanisms by which the phonon parameters evolve with increased heat. The observed change in the TO resonant frequency is in excellent agreement with previous density functional calculations, which only consider volume expansion of the crystal lattice. This suggests that the temperature-dependent change in the TO frequency is primarily due to volume expansion. The change in the main mode pair’s broadening parameters is nearly linear within the temperature range of this study, which indicates the intrinsic anharmonic scattering (via cubic anharmonicities) as the main decay mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interaction of ultra relativistic ${e}^{-}{e}^{+}$ fireball beam with plasma

Ab initio simulations of the propagation in a plasma of a soon to be available relativistic electron–positron beam or fireball beam provide an effective mean for the study of microphysics relevant to astrophysical scenarios. We show that the current filamentation instability associated with some of these scenarios reaches saturation after only 10 cm of propagation in a typical laboratory plasma with a density~1017 cm-3 . The different regimes of the instability, from the purely transverse to the mixed mode filamentation, can be accessed by varying the background plasma density. The instability generates large local plasma gradients, intense transverse magnetic fields, and enhanced emission of radiation. We suggest that these effects may be observed experimentally for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗