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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Telecommunication-wavelength two-dimensional photonic crystal cavities in a thin single-crystal diamond membrane

We demonstrate two-dimensional photonic crystal cavities operating at telecommunication wavelengths in a single-crystal diamond membrane. We use a high-optical-quality and thin (~300 nm) diamond membrane, supported by a polycrystalline diamond frame, to realize fully suspended two-dimensional photonic crystal cavities with a high theoretical quality factor of ~8 × 10 6 and a relatively small mode volume of ~2(λ/n) 3 . The cavities are fabricated in the membrane using electron-beam lithography and vertical dry etching. We observe cavity resonances over a wide wavelength range spanning the telecommunication O- and S-bands (1360–1470 nm) with Q factors of up to ~1800. Our method paves the way for on-chip diamond nanophotonic applications in the telecommunication-wavelength range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Electronic and magnetic properties of quasi-one-dimensional osmium halide OsCl 4

Using ab initio density functional theory, we study the electronic and magnetic properties of the van der Waals chain material OsCl 4 . In the nonmagnetic state, a strongly anisotropic band structure was observed, in agreement with its anticipated one-dimensional crystal geometry. Based on Wannier functions, we found that the four electrons of the 5d Os atom form a low-spin S = 1 state, with a large crystal field between the d xz/yz and d xy orbitals, corresponding to a strong Jahn–Teller distortion (Q 3 < 0). As a consequence, the magnetic properties are mainly contributed by the d xz/yz states. Furthermore, when a Mott gap develops after the introduction of the Hubbard U and Hund coupling J, we found that the staggered spin order is the most likely magnetic state, namely, spins arranged as (↑-↓-↑-↓) with π wavevector along the chain. In addition, the energy differences between various spin states are small, suggesting a weak magnetic exchange coupling along the chain. Overall, our results provide guidance to experimentalists and theorists working on quasi-one-dimensional osmium halides chain materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulating the filamentation of smoothed laser beams with three-dimensional nonlinear dynamics

In a plasma, the ponderomotive force of an inhomogeneous electromagnetic field expels plasma from regions of high intensity. When a laser propagates through a plasma, this force creates density wells that subsequently modify the index of refraction. The beam refracts and focuses into these wells and may filament. In extreme cases, the laser beam will spray due to increasing angular divergence of the beam. The threshold for ponderomotive self-focusing is well established for isolated laser hotspots or speckles. Here, we define a practical threshold for characterizing the filamentation of thousands of speckles that are found in the focal plane of high-power laser beams spatially smoothed with random phase plates as used at high energy and power laser facilities studying inertial confinement fusion. This threshold is tested against three-dimensional simulations of speckled laser light propagating through plasma. Four metrics are applied to assess filamentation: the fraction of power above five times the average intensity, an effective f-number, the mean-squared perpendicular wavenumber, and the fraction of rarefied density with deviation from the initial density exceeding | δn/ n| = 0.1. The speckled beams studied are generated by random phase plates, both with and without additional polarization smoothing, in a parameter regime of relevance to indirect drive experiments. While filamentation has been discussed extensively in the literature, we believe this to be the first published simulation study with three-dimensional nonlinear hydrodynamics that addresses the onset threshold of ponderomotive filamentation and establishes the lengths and time scales necessary to reach a statistical steady state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Three-dimensional electron temperature measurement of inertial confinement fusion hotspots using x-ray emission tomography

Here we present a novel approach to reconstruct three-dimensional (3D) electron temperature distributions of inertially confined fusion plasma hotspots at the National Ignition Facility. Using very limited number of two-dimensional (2D) x-ray imaging lines of sight, we perform 3D reconstructions of x-ray emission distributions from different x-ray energy channels ranging from 20 to 30 keV. 2D time-integrated x-ray images are processed using the algebraic reconstruction technique to reconstruct a 3D hotspot x-ray emission distribution that is self-consistent with the input images. 3D electron temperatures are computed using the energy channel ratios. We demonstrate the high accuracy and applicability of this method with different complex hotspot geometries in both synthetic and experimental results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Dynamical commensuration effect in a two-dimensional Yukawa solid modulated by periodic substrates

Transverse depinning dynamics of a periodic-square-substrate modulated two-dimensional dusty plasma solid driven by a constant force in the longitudinal direction are investigated using Langevin dynamical simulations. When the commensuration ratio (the number ratio of particles to substrate potential wells) is increased, there is a nonmonotonic variation of the critical transverse depinning force, and the local maxima and minima of the critical transverse depinning force precisely correspond to the dynamical commensurate and incommensurate conditions, respectively. Here, the dynamical commensuration effect is also clearly visible in the stable one-dimensional channel particle trajectories and the highly ordered structure, while both the particle trajectories and the structure are more disordered under the incommensurate conditions. The nonmonotonic variation of the critical transverse depinning force is attributed to the stability of the lattice structure at specific commensuration ratios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

On the importance of three-dimensional modeling for high-energy-density physics experiments

Laser-driven cylindrical implosion experiments enable direct measurements of hydrodynamic instability growth in convergent geometries, providing a wealth of validation data in the high-energy-density regime. These experiments are designed to be nearly axially invariant, allowing for modeling with complementary two-dimensional slices of the cylinder. Two distinct hydrodynamics codes are employed to model a subset of these experiments, and the results are shown to be in very good agreement with each other and the available experimental data. While this 2D modeling approach adequately captures most of the physics of the implosion and ensuing instability growth, there are crucial aspects from the three-dimensional nature of the experiments that are missed in 2D. The first fully 3D simulations of these experiments are presented, and small but significant differences are found to arise from both the axial and azimuthal non-uniformity in the laser drive. Recent experimental results confirming the drive asymmetry are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Current fluctuations and domain depinning in quasi-two-dimensional charge-density-wave 1 T -TaS 2 thin films

We investigated the temperature dependence of the current fluctuations in thin films of the quasi-two-dimensional 1T-TaS 2 van der Waals material. The current fluctuations, determined from the derivative current–voltage characteristics of two-terminal 1T-TaS 2 devices, appear prominently at the electric fields that correspond to the transitions between various charge-density-wave macroscopic quantum condensate phases and at the onset of the depinning of the charge density wave domains. The depinning threshold field, ED, monotonically increases with decreasing temperature within the nearly commensurate charge-density-wave phase. The ED value increases with the decreasing 1T-TaS 2 film thickness, revealing the surface pinning of the charge density waves. Our analysis suggests that the domain depinning is pronounced in the nearly commensurate phase. It is induced by the electric field but facilitated by local heating. Furthermore, the measured trends for ED of the domain depinning are important for understanding the physics of charge density waves in quasi-two-dimensional crystals and for developing electronic devices based on this type of quantum materials.

2D materials↗
DOE OSTI2024

Local dynamic responses of magnetic reconnection to three-dimensional perturbations in a laboratory plasma

The dynamic responses of magnetic reconnection to localized three-dimensional (3D) magnetic field perturbations imposed by a pair of figure-8-shaped coils are investigated in the Magnetic Reconnection Experiment (MRX) device. Both the magnetic field geometry and current sheet profiles are altered by external perturbations. For the case when the inductive electric field associated with these perturbations aligns with the preexisting reconnection electric field, O-type magnetic structures appear within an elongated current sheet. When these magnetic structures are ejected downstream at the speed close to the ion outflow velocity, the inductive electric field is enhanced considerably. Despite that the imposed perturbation amplitude is larger than 30% of the original reconnecting magnetic field, the overall reconnection process remains robust without current sheet disruptions. This technique to form O-type magnetic structures can serve as an additional experimental knob for future systematic laboratory investigations of 3D magnetic reconnection and related instabilities without disrupting two-dimensional current sheet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Sparse optimization of two-dimensional terahertz spectroscopy

Two-dimensional terahertz spectroscopy (2DTS) is a low-frequency analog of two-dimensional optical spectroscopy that is rapidly maturing as a probe of a wide variety of condensed matter systems. However, a persistent problem with 2DTS is the long experimental acquisition times, which prevent its broader adoption. A potential solution, requiring no increase in experimental complexity, is signal reconstruction via compressive sensing. In this work, we apply the sparse exponential mode analysis (SEMA) technique to 2DTS of a cuprate superconductor. We benchmark the performance of the algorithm in reconstructing terahertz nonlinearities and find that SEMA reproduces the asymmetric photon echo line shapes at sampling rates as low as 10%, reaching the reconstruction noise floor at sampling rates beyond 20%–30%. The success of SEMA in reproducing such subtle, asymmetric line shapes confirms compressive sensing as a general method to accelerate 2DTS and multidimensional spectroscopies more broadly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Polynomial-time preparation of low-temperature Gibbs states for two-dimensional toric code

In this work, we propose a polynomial-time algorithm for preparing the Gibbs state of the two-dimensional toric code Hamiltonian at any temperature, starting from any initial state, significantly improving upon prior estimates that suggested exponential scaling with inverse temperature. We prove that fast mixing at low temperature for the two-dimensional toric code can be achieved by augmenting local jump operators with simple global jump operators, which enable efficient transitions between logical sectors. To establish tight lower bounds on the spectral gap, we introduce a new reduction method that eventually maps the problem to estimating the spectral gap of a perturbed graph Laplacian on a stair graph. Our proof also shows that the Lindblad dynamics with a digitally implemented low-temperature local Davies generator is able to efficiently drive the quantum state toward the ground state manifold.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Phase transitions and dimensional cross-over in layered confined solids

The nature of solid phases and cross-over of order–disorder phase transitions from two-dimensional (2D) layers to three-dimensional (3D) bulk in confined atomic systems remain largely unexplained. To this end, we consider noble gases and aluminum confined between graphene sheets at different pressures and temperatures. Using crystal structure search methods and molecular dynamics based on machine-learned potentials with quantum-mechanical accuracy, we identify structures of multilayer confined solids that deviate from simple close packing. Upon heating, we find that confined 2D monolayers melt according to the two-step continuous Kosterlitz–Thouless–Halperin–Nelson–Young theory. However, multilayer solids transition continuously into an intermediate layered-hexatic phase before melting discontinuously into an isotropic liquid. This intermediate phase persists at least up to 12 layers studied here. This change can be qualitatively understood based on the cross-over from 2D topological defects toward 3D ones during melting as the number of layers increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Sockeye: A One-Dimensional, Two-Phase, Compressible Flow Heat Pipe Application

Sockeye is a heat pipe analysis application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework. The primary purpose of Sockeye is to provide a transient heat pipe simulation tool to be used in the analysis of nuclear microreactor designs. Sockeye provides the capability to perform one-dimensional, two-phase, compressible flow simulation of a heat pipe working fluid and two-dimensional, axisymmetric heat conduction for the heat pipe cladding and its surroundings. Sockeye is demonstrated against analytical solutions and experimental data from the SAFE-30 heat pipe module test.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Two-dimensional mapping of absolute OH densities in an atmospheric pressure plasma effluent via planar laser-induced fluorescence: effects of He/H 2 O and He/O 2 mixtures in N 2 and air, with and without solid targets

Planar laser-induced fluorescence (LIF) was employed to measure the absolute density of hydroxyl radicals (OH) in the effluent of the COST Reference Microplasma Jet for two feed gas mixtures: He/H 2 O and He/O 2 . Experiments were conducted with the effluent propagating into air and N 2 environments. For the He/H 2 O case, measurements were also performed with the effluent impinging on a solid target at varying distances from the jet nozzle. Calibration of the OH-LIF signal from the COST-Jet was achieved by comparing it to a reference signal generated by the photofragmentation of H 2 O 2 . Results demonstrated that OH densities were sustained longer when the effluent propagates in a nitrogen environment compared to air, particularly with water added to the feed gas. The broader OH distribution in N 2 suggests slower consumption due to the absence of oxygen, which accelerates OH depletion in air via reactions involving O 2 and HO 2 . Even when water was not added to the feed, as in the He/O 2 case, appreciable OH densities were observed, due to gas impurities and reactive species interactions with atmospheric humidity, forming reaction fronts that delineate the gas flow. Two-dimensional fluid dynamics simulations elucidated the influence of atmospheric gas entrainment and solid targets on the OH distribution. Experimental trends were further compared with a zero-dimensional chemistry model to explore OH production and consumption mechanisms in air and nitrogen environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Impurity screening and Friedel oscillations in Floquet-driven two-dimensional metals

We develop a theory for the non-equilibrium screening of a charged impurity in a two-dimensional electron system under a strong time-periodic drive. Our analysis of the time-averaged polarization function and dielectric function reveals that Floquet driving modifies the screened impurity potential in two main regimes. In the weak drive regime, the time-averaged screened potential exhibits unconventional Friedel oscillations with multiple spatial periods contributed by a principal period modulated by higher-order periods, which are due to the emergence of additional Kohn anomalies in the polarization function. In the strong drive regime, the time-averaged impurity potential becomes almost unscreened and does not exhibit Friedel oscillations. Furthermore, this tunable Friedel oscillations is a result of the dynamic gating effect of the time-dependent driving field on the two-dimensional electron system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dimensionality effects on trap-assisted recombination: the Sommerfeld parameter

Abstract In the context of condensed matter physics, the Sommerfeld parameter describes the enhancement or suppression of free-carrier charge density in the vicinity of a charged center. The Sommerfeld parameter is known for three-dimensional systems and is integral to the description of trap-assisted recombination in solids. Here we derive the Sommerfeld parameter in one and two dimensions and compare with the results in three dimensions. We provide an approximate analytical expression for the Sommerfeld parameter in two dimensions. Our results indicate that the effect of the Sommerfeld parameter is to suppress trap-assisted recombination in decreased dimensionality.

Physics↗
DOE OSTI2025

Spin qubit properties of the boron-vacancy/carbon defect in the two-dimensional hexagonal boron nitride

Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for defect creation and control, as well as qubit accessibility. In this work, we select the V B C B defect in the hexagonal boron nitride (hBN) as a possible optically controllable spin qubit and explain its triplet ground state and neutrality. In this defect a boron vacancy is combined with a carbon dopant substituting the closest boron atom to the vacancy. Our density-functional-theory calculations confirmed that the system has dynamically stable spin triplet and singlet ground states. As revealed from our linear response GW calculations, the spin-sensitive electronic states are localized around the three undercoordinated N atoms and make local peaks in the density of electronic states within the bandgap. Using the triplet and singlet ground state energies, as well as the energies of the optically excited states, obtained from solution to the Bethe–Salpeter equation, we construct the spin-polarization cycle, which is found to be favorable for the spin qubit initialization. The calculated zero-field splitting parameters ensure that the splitting energy between the spin projections in the triplet ground state is comparable to that of the known spin qubits. We thus propose the V B C B defect in hBN as a promising spin qubit.

2D BN↗
DOE OSTI2024

Characterizing structural features of two-dimensional particle systems through Voronoi topology

This paper introduces a new approach toward characterizing local structural features of two-dimensional particle systems. The approach can accurately identify and characterize defects in high-temperature crystals, distinguish a wide range of nominally disordered systems, and robustly describe complex structures such as grain boundaries. This paper also introduces two-dimensional functionality into the open-source software program VoroTop which automates this analysis. This software package is built on a recently-introduced multithreaded version of V ORO ++, enabling the analysis of systems with billions of particles on high-performance computer architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Numerical investigation of two-dimensional buoyancy-driven eddies in liquid metal magnetohydrodynamic flows in breeding blankets *

Abstract Lead–lithium flows are key features in the design of tokamak breeding blanket concepts such as the dual-coolant lead–lithium (DCLL). Since they flow under magnetic fields, they are affected by magnetohydrodynamic (MHD) effects. The neutron flux originating in the tokamak plasma heats the breeding blanket channels in a non-uniform manner, inducing buoyancy forces in the liquid metal. Buoyancy may become a source of quasi-two-dimensional (Q2D) turbulence, and the appearance of eddies may affect the transport of heat and tritium across the blanket. Blankets characterized by high-speed liquid metal flows (such as DCLL) will need ceramic insulating walls to reduce the MHD-related pressure drop in the channels. In our simulations, we have used the Q2D model proposed by Sommeria and Moreau (SM82) which is especially suitable for modeling electrically insulating channel flows. On top of that, we have modelled buoyancy forces in the momentum equation using the Oberbeck–Boussinesq approximation. In this work, we include a validation of the implemented Q2D model in buoyancy-driven cases and identify a thermohydraulic configuration that promotes the generation of eddies and the accumulation of tritium. We also show the results provided by our post-processing tool based on the bi-dimensional fast Fourier transform for eddy detection and characterization. We complete our investigation by performing an initial assessment of how eddies can accumulate tritium in the breeding blanket. We conclude by discussing the relevance of preventing accumulation of tritium within the blanket and suggest a possible solution.

Suarez, Daniel (ORCID:0000000251740100)↗