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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modeling the spectral modification of lower hybrid wave in the presence of drift-wave type density fluctuation in the scrape-off-layer of the EAST tokamak

In this work, the spectrum change of the lower hybrid (LH) waves caused by a low-frequency density fluctuation in the scrape-off-layer is studied by applying the wave scattering model developed by Bonoli and Ott [Phys. Fluids 25, 359 (1982)] via a Monte Carlo method. A ray-tracing model specific to this purpose is developed to evaluate the probability distribution of both the poloidal refractive index (N θ ) and the parallel refractive index (N ∥ ) of the LH wave at the last closed flux surface (LCFS).The probability distributions of N ∥ and N θ at the LCFS are studied using the EAST parameters as a function of wave frequency, the initial N ∥ , and the polar injection position, which may influence the lower hybrid current drive efficiency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A hybrid coupler for directing quantum light emission with high radiative Purcell enhancement to a dielectric metasurface lens

Quantum photonic technologies such as quantum sensing, metrology, and simulation could be transformatively enabled by the availability of integrated single photon sources with high radiative rates and photon collection efficiencies. We address these challenges for quantum emitters formed from color center defect sites such as those in hexagonal boron nitride, which are promising candidates as single photon sources due to their bright, stable, polarized, and room temperature emission. We report design of a nanophotonic coupler from color center quantum emitters to a dielectric metasurface lens. The coupler is comprised of a hybrid plasmonic–dielectric resonator that achieves a large radiative Purcell enhancement and partial control of far-field radiation. We report radiative Purcell factors up to 285 and photon collection efficiencies up to 89% for a lossless metasurface, applying a continuous hyperboloidal phase-front. Our hybrid plasmonic–dielectric coupler interfacing two nanophotonic elements is a compound optical element, analogous to those found in microscope objective lenses, which combine multiple optical functions into a single component for improved performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Multiframe point-projection radiography imaging based on hybrid X-pinch

This paper demonstrates the possibility of using a new configuration of the hybrid X-pinch to produce a set of spatially and temporarily separate x-ray bursts that could be used for the radiography of dynamic events. To achieve this, a longer than normal wire is placed between the conical electrodes of the hybrid X-pinch, and a set of small spacers (fishing weights) is placed along the wire. Each subsection of the wire then acts as a unique X-pinch, producing its own radiation burst from a small (~3 µm) spot. The timing between bursts is 20–50 ns, and each is <2 ns in duration. For comparison, if a longer wire is simply employed without spacers, hotspots of radiation occur in random positions and the time between any two bursts does not exceed 20 ns. Examples of two and three frame point-projection radiography of solid-state and plasma test objects are given.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Quantum-classical hybrid algorithm for the simulation of all-electron correlation

While chemical systems containing hundreds to thousands of electrons remain beyond the reach of quantum devices, hybrid quantum-classical algorithms present a promising pathway toward a quantum advantage. Hybrid algorithms treat the exponentially scaling part of the calculation-the static correlation-on the quantum computer and the non-exponentially scaling part-the dynamic correlation-on the classical computer. While a variety of algorithms have been proposed, the dependence of many methods on the total wave function limits the development of easy-to-use classical post-processing implementations. Here, we present a novel combination of quantum and classical algorithms, which computes the all-electron energy of a strongly correlated molecular system on the classical computer from the 2-electron reduced density matrix (2-RDM) evaluated on the quantum device. Significantly, we circumvent the wave function in the all-electron calculations by using density matrix methods that only require input of the statically correlated 2-RDM. Although the algorithm is completely general, we test it with two classical density matrix methods, the anti-Hermitian contracted Schrödinger equation (ACSE) and multiconfiguration pair-density functional theories, using the recently developed quantum ACSE method for simulating the statically correlated 2-RDM. Furthermore, we obtain experimental accuracy for the relative energies of all three benzyne isomers and thereby demonstrate the ability of the developed algorithm to achieve chemically relevant and accurate results on noisy intermediate-scale quantum devices.

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

Fluid and hybrid simulations of the ionization instabilities in Hall thruster

Low-frequency axial oscillations in the range of 5–50 kHz stand out as a pervasive feature observed in many types of Hall thrusters. While it is widely recognized that the ionization effects play the central role in this mode, as manifested via the large-scale oscillations of neutral and plasma density, the exact mechanism(s) of the instabilities remain unclear. To gain further insight into the physics of the breathing mode and evaluate the role of kinetic effects, a one-dimensional time-dependent full nonlinear low-frequency model describing neutral atoms, ions, and electrons is developed in full fluid formulation and compared to the hybrid model in which the ions and neutrals are kinetic. Both models are quasi-neutral and share the same electron fluid equations that include the electron diffusion, mobility across the magnetic field, and the electron energy evolution. The ionization models are also similar in both approaches. Further, the predictions of fluid and hybrid simulations are compared for different test cases. Two main regimes are identified in both models: one with pure low-frequency behavior and the other one, where the low-frequency oscillations coexist with high-frequency oscillations in the range of 100–200 kHz, with the characteristic time scale of the ion channel fly-by time, 100–200 kHz. The other test case demonstrates the effect of a finite temperature of injected neutral atoms, which has a substantial suppression effect on the oscillation amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe–Salpeter equation calculations of molecules

The ab initio GW plus Bethe–Salpeter equation (GW-BSE, where G is the one particle Green's function and W is the screened Coulomb interaction) approach has emerged as a leading method for predicting excitations in both solids and molecules with a predictive power contingent upon several factors. Among these factors are the (1) generalized Kohn–Sham eigensystem used to construct the GW self-energy and to solve the BSE and (2) the efficacy and suitability of the Tamm–Dancoff approximation. Here, we present a detailed benchmark study of low-lying singlet excitations from a generalized Kohn–Sham (gKS) starting point based on an optimally tuned range-separated hybrid (OTRSH) functional. We show that the use of this gKS starting point with one-shot G0W0 and G0W0-BSE leads to the lowest mean absolute errors (MAEs) and mean signed errors (MSEs), with respect to high-accuracy reference values, demonstrated in the literature thus far for the ionization potentials of the GW100 benchmark set and for low-lying neutral excitations of Thiel’s set molecules in the gas phase, without the need for self-consistency. The MSEs and MAEs of one-shot G0W0-BSE@OTRSH excitation energies are comparable to or lower than those obtained with other functional starting points after self-consistency. Additionally, we compare these results with linear-response time-dependent density functional theory (TDDFT) calculations and find GW-BSE to be superior to TDDFT when calculations are based on the same exchange-correlation functional. This work demonstrates tuned range-separated hybrids used in combination with GW and GW-BSE can greatly suppress starting point dependence for molecules, leading to accuracy similar to that for higher-order wavefunction-based theories for molecules without the need for costlier iterations to self-consistency.

McKeon, Caroline A. (ORCID:0000000217373503)↗
DOE OSTI2022

Hybrid simulation of Alfvén wave parametric decay instability in a laboratory relevant plasma

Large-amplitude Alfvén waves are subject to parametric decays, which can have important consequences in space, astrophysical, and fusion plasmas. Although the Alfvén wave parametric decay instability (PDI) was predicted decades ago, observational evidence is limited, stimulating considerable interest in laboratory demonstration of the instability and associated numerical modeling. Here, we report an important step toward direct hybrid simulation of the Alfvén wave PDI in a laboratory plasma, using antenna-like wave injection of a circularly polarized wave and realistic wave-plasma parameters. Considering collisionless damping, we identify the threshold Alfvén wave amplitudes and frequencies required for triggering the instability. These threshold behaviors are corroborated by simple theoretical analysis, considering the balance between PDI growth and ion Landau damping and PDI development in a bounded plasma. Other effects not included in the present model such as finite transverse wave scale and ion–neutral collisions are briefly discussed. These hybrid simulations promise to be a useful tool for investigating laboratory Alfvén wave dynamics and may provide guidance for future laboratory demonstration of the PDI process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Wave-supported hybrid fast-thermal p- 11 B fusion

The possibility of fusion ignition in proton–Boron 11 plasma is strongly enhanced if the energy from the fusion-produced α particles is channeled to fast protons, but in an environment in which most of the protons are thermally distributed. This hybrid of thermonuclear fusion and beam-plasma fusion offers surprisingly large advantages to either purely thermonuclear or purely beam-plasma fusion, neither of which can by themselves significantly exceed the large bremsstrahlung radiation emitted by the proton–Boron 11 plasma. Furthermore, the hybrid scheme has the potential to reduce the confinement time of the reactants that is required to achieve ignition by an order of magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Multi-timescale operations of nuclear-renewable hybrid energy systems for reserve and thermal product provision

In this paper, an optimal operation strategy of a nuclear-renewable hybrid energy system (N-R HES), in conjunction with a district heating network, is developed within a comprehensive multi-timescale electricity market framework. The grid-connected N-R HES is simulated to explore the capabilities and benefits of N-R HES of providing energy products, different reserve products, and thermal products. An N-R HES optimization and control strategy is formulated to exploit the benefits from the hybrid energy system in terms of both energy and ancillary services. A case study is performed on the customized NREL-118 bus test system with high renewable penetrations, based on a multi-timescale (i.e., three-cycle) production cost model. Both day-ahead and real-time market clearing prices are determined from the market model simulation. In conclusion, the results show that the N-R HES can contribute to the reserve requirements and also meet the thermal load, thereby increasing the economic efficiency of N-R HES (with increased revenue ranging from 1.55% to 35.25% at certain cases) compared to the baseline case where reserve and thermal power exports are not optimized.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

A Brillouin light scattering study of the spin-wave magnetic field dependence in a magnetic hybrid system made of an artificial spin-ice structure and a film underlayer

We present a combined Brillouin light scattering (BLS) and micromagnetic simulation investigation of the magnetic-field-dependent spin-wave spectra in a hybrid structure made of permalloy (NiFe) artificial spin-ice (ASI) systems, composed of stadium-shaped nanoislands, deposited on the top of an unpatterned permalloy film with a nonmagnetic spacer layer. The thermal spin-wave spectra were recorded by BLS as a function of the magnetic field applied along the symmetry direction of the ASI sample. Magneto-optic Kerr effect magnetometry was used to measure the hysteresis loops in the same orientation as the BLS measurements. Here, the frequency and the intensity of several spin-wave modes detected by BLS were measured as a function of the applied magnetic field. Micromagnetic simulations enabled us to identify the modes in terms of their frequency and spatial symmetry and to extract information about the existence and strength of the dynamic coupling, relevant only to a few modes of a given hybrid system. Using this approach, we suggest a way to understand if the dynamic coupling between ASI and film modes is present or not, with interesting implications for the development of future three-dimensional magnonic applications and devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Electrostatic upper-hybrid mode instability driven by a ring electron distribution

Quasi electrostatic fluctuations in the upper-hybrid frequency range are commonly detected in the planetary magnetospheric environment. The origin of such phenomena may relate to the instability driven by a loss-cone feature associated with the electrons populating the dipole-like magnetic field. The present paper carries out a one-dimensional electrostatic particle-in-cell simulation accompanied by a reduced quasilinear kinetic theoretical analysis to investigate the dynamics of the upper-hybrid mode instability driven by an initial ring electron distribution function, which is a form of loss-cone distribution. A favorable comparison is found between the two approaches, which shows that the reduced quasilinear theory, which is grounded in the concept of a model of the particle distribution function that is assumed to maintain a fixed mathematical form except that the macroscopic parameters that define the distribution are allowed to evolve in time, can be an effective tool in the study of plasma instabilities, especially if it is guided by and validated against the more rigorous simulation result.

Physics↗
DOE OSTI2024

Hybrid particle-spectral method for kinetic plasma simulations

A hybrid model for numerical solutions of the Vlasov–Poisson equations is presented, which blends spectral and particle approaches. The model splits the distribution function for plasma species into both spectral and particle representations in the velocity space to combine the advantages of each approach. The spectral representation leverages asymmetrically weighted Hermite basis, whereas the particle representation leverages the particle-in-cell method. Configuration phase space is decomposed with the Fourier method, which is well suited for periodic problems. We derive conservation equations for mass, momentum, and energy for the proposed combined method. It is shown that the coupling error between the two methods is absent in the semi-discrete setting (not taking into account time discretization). Finally, numerical test cases are presented simulating a weak electron beam interaction with plasma, leading to beam–plasma instability. The initially localized electron beam evolved into a highly non-equilibrium distribution function in the velocity space. A small growth rate and the resonance nature of instability make it difficult to obtain accurate solutions for purely particle methods due to noise, which falls as ∼1/Np with a number of particles. At the same time, purely spectral methods may require a large number of modes to capture the highly non-equilibrium state of the evolved beam. We show that the hybrid method is well suited for such problems: it reproduces the linear stage as well as nonlinear dynamics with sufficient accuracy using a highly non-equilibrium distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Single-event burnout in homojunction GaN vertical PiN diodes with hybrid edge termination design

GaN devices play a major role in modern electronics, providing high-power handling, efficient high-frequency operation, and resilience in harsh environments. However, electric field crowding at the edge of the anode often limits its full potential, leading to single-event effects (SEEs) at lower bias voltages under heavy ion radiation. Here, in this work, we report on the performance of homojunction GaN vertical PiN diodes with a hybrid edge termination design under heavy ion irradiation, specifically, oxygen ions, chlorine ions, Cf-252 fission fragments, and alpha particles from an Am-241 source. The unique hybrid edge termination (HET) design provides better electric field management, preventing breakdown from occurring at the edge of the anode at lower voltages. The results of this study reveal that these devices exhibit excellent tolerance to 12-MeV oxygen and 16-MeV chlorine ions, owing to their low linear energy transfer (LET) and range in GaN. However, single-event burnout (SEB) is observed during the Cf-252 exposure at about 50% of the diodes' electrical breakdown voltage due to the presence of higher LET and longer-range ions. Optical and scanning electron microscopy (SEM) reveal that the damage that caused by SEB lies close to the center of these devices rather than the anode edge. Devices with junction termination extension (JTE) instead of HET edge termination also show similar SEB when irradiated with Cf-252 fission fragments. Physical damage due to SEB occurs at the edge of the anode for these devices. These comparative results show the benefits of HET for enhancing the resistance of GaN-based PiN diodes to heavy ion irradiation.

42 ENGINEERING↗
DOE OSTI2024

GW with hybrid functionals for large molecular systems

A low-cost approach for stochastically sampling static exchange during time-dependent Hartree–Fock-type propagation is presented. This enables the use of an excellent hybrid density functional theory (DFT) starting point for stochastic GW quasiparticle energy calculations. Generalized Kohn–Sham molecular orbitals and energies, rather than those of a local-DFT calculation, are used for building the Green function and effective Coulomb interaction. The use of an optimally tuned hybrid diminishes the starting point dependency in one-shot stochastic GW, effectively avoiding the need for self-consistent GW iterations.

Chemistry↗
DOE OSTI2024

Hybrid direct drive with a two-sided ultraviolet laser

This paper presents a “hybrid” approach to direct drive inertial confinement fusion that can exploit a high-energy gas laser with two opposed beams. The target and driver are asymmetric, much like experiments performed on the National Ignition Facility, but have been designed to benefit from scale and their particular compatibility with a fusion power plant. The imploded masses (and areal densities) are increased by a factor of 12 (3) and provide a path to high-gain implosions that robustly ignite. The design also mitigates common concerns such as laser imprint and cross-beam energy transfer. We discuss the rationales for a hybrid target, the methods used to control implosion symmetry, and the implication(s) for inertial fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Lower hybrid drift instability in nonthermal plasmas

Lower hybrid drift instability (LHDI) is driven by the cross-field current and operates in the vicinity of the lower-hybrid frequency, between the ion- and electron-gyro frequencies, and with wavelengths between the electron and ion thermal gyro radii. The free energy source that drives this instability resides in the density gradient associated with an inhomogeneous plasma. The existing literature on LHDI assumes that the charged particle distribution function is given by a Maxwellian form, but the space plasma is pervasively observed to feature nonthermal characteristics. This paper extends the theory of LHDI to nonthermal plasmas. The generalized theory of LHDI is, thus, applicable to various space plasma environments characterized by nonthermal plasma velocity distribution functions.

Arya, Neetasha (ORCID:0009000236075605)↗
DOE OSTI2025

Enhancing the accuracy of XPS calculations: Exploring hybrid basis set schemes for CVS-EOMIP-CCSD calculations

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between numerical accuracy and computational cost due to the size of the basis set is a major challenge, since molecular orbitals undergo extreme relaxation in the core-hole state. To gain clarity on the changes in electronic structure induced by the formation of a core-hole, the use of sufficiently flexible basis for expanding the orbitals, particularly for the core region, has been shown to be essential. This work focuses on the refinement of core-hole ionized state calculations using the equation-of-motion coupled cluster family of methods through an extensive analysis on the effectiveness of “hybrid” and mixed basis sets. In this investigation, we utilize the CVS-EOMIP-CCSD method in combination and construct hybrid basis sets piecewise from readily available Dunning’s correlation consistent basis sets in order to calculate x-ray ionization energies (IEs) for a set of small gas phase molecules. Our results provide insights into the impact of basis sets on the CVS-EOMIP-CCSD calculations of K-edge IEs of first-row p-block elements. Furthermore, these insights enable us to understand more about the basis set dependence of the core IEs computed and allow us to establish a protocol for deriving reliable and cost-effective theoretical estimates for computing IEs of small molecules containing such elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Cryogenic hybrid magnonic circuits based on spalled YIG thin films

Yttrium iron garnet (YIG) magnonics has garnered significant research interest because of the unique properties of magnons (quasiparticles of collective spin excitation) for signal processing. In particular, hybrid systems based on YIG magnonics show great promise for quantum information science due to their broad frequency tunability and strong compatibility with other platforms. However, their broad applications have been severely constrained by substantial microwave loss in the gadolinium gallium garnet (GGG) substrate at cryogenic temperatures. In this study, we demonstrate that YIG thin films can be spalled from YIG/GGG samples. Our approach is validated by measuring hybrid devices comprising superconducting resonators and spalled YIG films, which exhibit anti-crossing features that indicate strong coupling between magnons and microwave photons. Such new capability of separating YIG thin films from GGG substrates via spalling and the integrated superconductor-YIG devices represent a significant advancement for integrated magnonic devices, paving the way for advanced magnon-based coherent information processing.

36 MATERIALS SCIENCE↗