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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 OSTI2023

Excitation of toroidally localized harmonics of global Alfvén eigenmodes

Abstract The spherical tokamak NSTX and the upgraded, higher toroidal field, NSTX-U, routinely create plasmas with large un-thermalized populations of super-Alfvénic fast ions. This population of non-thermal energetic ions excites a broad spectrum of Alfvénic waves, from the lower frequency (≈30 kHz–≈200 kHz) toroidal Alfvén eigenmodes (Cheng and Chance 1986 Phys. Fluids 29 3695), to the higher frequency (400 kHz–3 MHz) global Alfvén eigenmodes (GAEs) and compressional Alfvén eigenmodes (Goedbloed 1975 Phys. Fluids 18 1258). In this paper we present evidence that the GAE non-linearly excite modes, presumably GAE, at frequencies consistent with non-linear or 3-wave coupling. The observation of the excitation of 2 nd harmonic GAE through the intrinsic non-linearity of Global Alfvén modes demonstrates that the non-linear terms can act as an exciter-antenna inside the plasma, broadcasting at harmonics of the mode frequency and with concomitantly shorter wavelengths. As with experiments using external antenna to excite otherwise weakly stable Alfvénic modes, this data can provide information about the stability of modes at harmonics of the GAE. It may also provide information on the nature of the non-linearities in the wave dispersion equation or a direct measure of the mode amplitude (Smith et al 2006 Phys. Plasmas 13 042504). We also report that the short wavelength 2 nd harmonic GAE can be strongly toroidally localized. The observation that the shorter wavelength ( n ≈ 20) 2 nd harmonic modes can be toroidally localized potentially has implications for the impact of fast-ion driven instabilities on fast-ion confinement in ITER and future fusion reactors (Gorelenkov et al 2014 Nucl. Fusion 54 125001).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Ultracold Storage Ring

The modern ring upgrades aim at reaching beam low emittance while paying little attention to the beam energy spread. The purpose of this note is to conjecture on a possibility of designing a storage ring with ultimately small energy spread. This might be of interest with respect to the following two applications: increasing brightness and coherence of radiation at higher harmonics of undulator radiation and a potential of building a soft X-ray FEL on a storage ring. Throughout the tech note we are taking a 3 GeV storage ring of the NSLS-II size as an example.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Phonon spectra of a two-dimensional solid dusty plasma modified by two-dimensional periodic substrates

Here, phonon spectra of a two-dimensional (2D) solid dusty plasma modulated by 2D square and triangular periodic substrates are investigated using Langevin dynamical simulations. The commensurability ratio, i.e., the ratio of the number of particles to the number of potential well minima, is set to 1 or 2. The resulting phonon spectra show that propagation of waves is always suppressed due to the confinement of particles by the applied 2D periodic substrates. For a commensurability ratio of 1, the spectra indicate that all particles mainly oscillate at one specific frequency, corresponding to the harmonic oscillation frequency of one single particle inside one potential well. At a commensurability ratio of 2, the substrate allows two particles to sit inside the bottom of each potential well, and the resulting longitudinal and transverse spectra exhibit four branches in total. We find that the two moderate branches come from the harmonic oscillations of one single particle and two combined particles in the potential well. The other two branches correspond to the relative motion of the two-body structure in each potential well in the radial and azimuthal directions. The difference in the spectra between the square and triangular substrates is attributed to the anisotropy of the substrates and the resulting alignment directions of the two-body structure in each potential well.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A contactless in situ EFISH method for measuring electrostatic potential profile of semiconductor/electrolyte junctions

In photoelectrochemical cells, promising devices for directly converting solar energy into storable chemical fuels, the spatial variation of the electrostatic potential across the semiconductor–electrolyte junction is the key parameter that determines the cell performance. In principle, electric field induced second harmonic generation (EFISH) provides a contactless in situ spectroscopic tool to measure the spatial variation of electrostatic potential. However, the total second harmonic generation (SHG) signal contains the contributions of the EFISH signals of semiconductor space charge layer and the electric double layer, in addition to the SHG signal of the electrode surface. The interference of these complex quantities hinders their analysis. In this work, to understand and deconvolute their contributions to the total SHG signals, bias-dependent SHG measurements are performed on the rutile TiO2(100)–electrolyte junction as a function of light polarization and crystal azimuthal angle (angle of the incident plane relative to the crystal [001] axis). A quadratic response between SHG intensity and the applied potential is observed in both the accumulation and depletion regions of TiO2. The relative phase difference and amplitude ratio are extracted at selected azimuthal angles and light polarizations. At 0° azimuthal angle and s-in–p-out polarization, the SHG intensity minimum has the best match with the TiO2 flatband potential due to the orthogonal relative phase difference between bias-dependent and bias-independent SHG terms. We further measure the pH-dependent flatband potential and probe the photovoltage under open circuit conditions using the EFISH technique, demonstrating the capability of this contactless method for measuring electrostatic potential at semiconductor–electrolyte junctions.

Chemistry↗
DOE OSTI2021

Characterization of mechanical deformation in aluminum by optical second harmonic generation

Second harmonic generation (SHG), a laser-based surface technique, was used to characterize near-surface defect evolution associated with mechanical deformation in 2024-T3 aluminum due to tensile loads. Electron backscatter diffraction (EBSD) measurements were also performed to determine the geometrically necessary dislocation density before and after tensile deformation. Comparison of the EBSD and SHG results found that dislocation density and SHG signal are inversely proportional; tensile deformation in the plastic regime led to an increase in dislocation density and a decrease in SHG response. A similar trend was seen in the SHG results on as-received (unpolished) Al samples; SHG response decreases with extent of plastic deformation. Furthermore, this study suggests that SHG has potential as a nondestructive evaluation technique.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The feasibility of electron beam slip stacking in EIC Rapid Cycling Synchrotron

Announced in 2020, the Electron Ion Collider will be constructed at Brookhaven National Lab (BNL) by modifying the existing Relativistic Heavy Ion Collider (RHIC) facility. Among the alterations include the installation of an electron storage ring (ESR) and a Rapid Cycling Synchrotron (RCS) in the existing RHIC tunnel. The RCS will accelerate polarized electrons from 400MeV to 5GeV,10GeV and 18 GeV and transfer it to the ESR. The LINAC source produces 7nC per shot meanwhile the RCS requires 28nC per bunch of charge. Currently, it is planned to inject 4 bunches into adjacent RF buckets and then merge them into a single RF bucket using fields from several RF cavities. However, this requires a kicker with an exceptionally fast rise and fall time to inject into adjacent RF bucket without disturbing the existing circulating bunch and this requires harmonic RF kickers. Our study focuses on determining the feasibility of an alternate particle injection method that will utilize slip stacking, a method that accommodates the circulation of multiple beams with different momentum in the same azimuthal space of the beampipe, thus permitting the accumulation of charge from several shots into a single RF bucket. We find the momentum aperture required for slip stacking using current RCS beam parameters exceeds the RCS’s momentum deviation limit,dp/p = 1.5%. We determine the appropriate dimensions the beam must have to enable slip stacking and conduct a literature review of slip stacking schemes in other facilities. The literature review tentatively indicates that slip stacking has not been attempted on electron beams at a major accelerator facility.. The slip stacking approach has the potential to save the cost of the harmonic RF kicker and bunch merging cavities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Machine learning approach to trapped many-fermion systems

For this work, we apply a variational ansatz based on neural networks to the problem of spin-$^1_2$ fermions in a harmonic trap interacting through a short distance potential. We showed that standard machine learning techniques lead to a quick convergence to the ground state, especially in weakly coupled cases. Higher couplings can be handled efficiently by increasing the strength of interactions during “training”.

1-dimensional systems↗
DOE OSTI2022

Antiferromagnetic-configuration–dependent high harmonic generation in bilayer CrI 3

Abstract Bilayer CrI 3 accommodates both interlayer antiferromagnetic (AFM) and intralayer ferromagnetic couplings. Different alignments of intralayer ferromagnetic orders would lead to almost degenerate AFM configurations, which are insensitive to conventional techniques such as VSM and magneto-optical Kerr effect. Here, we demonstrate high harmonic generation (HHG) as a feasible means to detect the AFM configurations in bilayer CrI 3 with AB and stacking orders. When the intralayer magnetic moments are aligned along the z -axis, the AB stacked bilayer CrI 3 cancels the 3 n -order harmonics under the circularly polarized laser field. However, the stacked bilayer contains both even and odd harmonic. The 3 n -order harmonics are recovered as the intralayer magnetic moments of AB bilayer are in-plane aligned. For an in-plane linearly polarized laser field, the stacking bilayer with the magnetic moments along the x -axis contains both the even and odd harmonics in each component. However, when the magnetic moments are along the y -axis, the perpendicular component of HHG cancels out for the linearly polarized laser field along the x -axis. More interestingly, when the linearly polarized laser field is along the y -axis, the parallel component includes only the odd harmonics while the perpendicular component contains only the even harmonics. Our study provides HHG as a potential tool to detect AFM configurations.

Physics↗
DOE OSTI2021

Circular Bioeconomy Concepts—A Perspective

Circular economy concepts—including a circular bioeconomy—aim to transition the current, essentially linear, economic system to a more sustainable one. However, organizations and researchers currently define the circular economy concept differently, resulting in inconsistencies and difficulty in effectively implementing the framework. In this paper, we provide our perspective on the conceptual definitions of the circular economy, bioeconomy, and circular bioeconomy, outlining potential overlaps and differences and proposing a harmonized interpretation that stresses the importance of the carbon cycle. We conclude that the key goal of a circular economy is to slow, narrow, and close material resource loops, built on the foundation of renewable energy and non-toxic materials. Further, a sustainable bioeconomy goes beyond simply switching fossil resources with renewable, biological resources. It requires low-carbon energy inputs, sustainable supply chains, and promising disruptive conversion technologies for the sustainable transformation of renewable bioresources to high-value bio-based products, materials, and fuels. The bio-based circular carbon economy, in particular, stresses capturing atmospheric carbon via photosynthesis and exploiting this unique feature to the fullest extent possible. It sits at the intersection between the circular economy and the bioeconomy concept, resulting in a framework that focuses on closing the carbon cycle and stressing the opportunity to create an additional carbon sink capability in the technosphere by utilizing biogenic carbon for products and materials that are circulated in same or improved use cycles. Lastly, a sustainable circular bioeconomy transition will necessitate a set of consistent metrics that fit all products and industries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Evidence of Nonlinear Seismic Effects in the Earth from Downhole Distributed Acoustic Sensors

Seismic velocities and elastic moduli of rocks are known to vary significantly with applied stress, which indicates that these materials exhibit nonlinear elasticity. Monochromatic waves in nonlinear elastic media are known to generate higher harmonics and combinational frequencies. Such effects have the potential to be used for broadening the frequency band of seismic sources, characterization of the subsurface, and safety monitoring of civil engineering infrastructure. However, knowledge on nonlinear seismic effects is still scarce, which impedes the development of their practical applications. To explore the potential of nonlinear seismology, we performed three experiments: two in the field and one in the laboratory. The first field experiment used two vibroseis sources generating signals with two different monochromatic frequencies. The second field experiment used a surface orbital vibrator with two eccentric motors working at different frequencies. In both experiments, the generated wavefield was recorded in a borehole using a fiber-optic distributed acoustic sensing cable. Both experiments showed combinational frequencies, harmonics, and other intermodulation products of the fundamental frequencies both on the surface and at depth. Laboratory experiments replicated the setup of the field test with vibroseis sources and showed similar nonlinear combinations of fundamental frequencies. Amplitudes of the nonlinear signals observed in the laboratory showed variation with the saturating fluid. These results confirm that nonlinear components of the wavefield propagate as body waves, are likely to generate within rock formations, and can be potentially used for reservoir fluid characterization.

58 GEOSCIENCES↗
DOE OSTI2024

Geomagnetically Induced Current Field Test on Large Grid-Connected Power Transformers: Analysis, Model Development, and Simulations

Geomagnetic-induced current (GIC) flow in power grids can cause undesirable effects such as transformer overheating, harmonics, higher reactive power demand, etc. Many simulation models have been developed to study these effects, but real-world verification on modern transformer designs is rare. Here, this paper presents the first long-duration GIC field test in the U.S. performed on high-voltage, grid-connected transformers featuring winding clamps and tie rods instead of conventional tie bars. Field measurements were taken to evaluate GIC effects. These measurements also aided in developing and validating thermal and electromagnetic transient (EMT) models of the transformers. During the test, significant current and voltage distortions were observed along with considerable transformer reactive power losses. Analysis of the field measurements showed that the transformers’ hottest spot was at the inner windings, and their k-factors were close to factory test and software default values. Thermal simulations indicated that the transformers would not violate their thermal limits even for a GIC waveform that peaks at about 200 A/phase. EMT simulations revealed that increased transformer loading may reduce GIC-induced reactive power demand and harmonics in certain scenarios. The study also highlighted potential inaccuracies in using the k-factor method to calculate transformer reactive power losses.

EMTDC↗
DOE OSTI2024

QuTree: A tree tensor network package

Here we present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of tree tensor network approaches such as the multilayer multiconfigurational time-dependent Hartree approach or the density matrix renormalization group approach and its various extensions. We investigate the efficiency of relevant tensor and tensor network operations and show that the overhead for managing the network structure is negligible, even in cases with a million leaves and small tensors. QuTree focuses on providing simple, high-level routines while retaining easy access to the backend to facilitate novel developments. We demonstrate the capabilities of the package by computing the eigenstates of coupled harmonic oscillator Hamiltonians and performing random circuit simulations on a virtual quantum computer.

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

Electric Vehicle Charging Management in Smart Energy Communities to Increase Renewable Energy Hosting Capacity

Abnormal climates due to global warming have emerged as a big concern in the global community. To mitigate climate change and achieve sustainability, distributed energy resources (DERs), including solar and wind, have been recently deployed in power systems. As the penetration level of DERs has increased, however, it caused a multitude of issues in the power systems, such as voltage fluctuation in the distribution network limiting renewable hosting capacity. On the other hand, the electric vehicle (EV) industry is rapidly growing to facilitate the transition to a carbon-neutral community, illuminating the potential of EVs as a flexible grid asset to mitigate some of the issues and improve grid operation, if properly exploited. To explore the potential of EVs, this paper proposes an EV scheduling strategy. By using an optimal EV charging scheduling proposed, distribution system operators (DSOs) can minimize their operating costs and stably operate the system with a high level of DERs. To validate the method, a modified IEEE 33-bus system with DERs is developed. The case study shows the proposed scheduling strategizes EV charging to reduce the cost of PV curtailment. In the study, the method outperforms the renewable-only case with curtailment by 4.97% in DSO cost. It also demonstrates its potential to increase the renewable hosting capacity by harmonizing EV charging with renewables.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗
DOE OSTI2025

SympGNNs: Symplectic Graph Neural Networks for identifying high-dimensional Hamiltonian systems and node classification

Existing neural network models to learn Hamiltonian systems, such as SympNets, although accurate in low-dimensions, struggle to learn the correct dynamics for high-dimensional many-body systems. Herein, we introduce Symplectic Graph Neural Networks (SympGNNs) that can effectively handle system identification in high-dimensional Hamiltonian systems, as well as node classification. SympGNNs combine symplectic maps with permutation equivariance, a property of graph neural networks. Specifically, we propose two variants of SympGNNs: (i) G-SympGNN and (ii) LA-SympGNN, arising from different parameterizations of the kinetic and potential energy. We demonstrate the capabilities of SympGNN on two physical examples: a 40-particle coupled Harmonic oscillator, and a 2000-particle molecular dynamics simulation in a two-dimensional Lennard-Jones potential. Furthermore, we demonstrate the performance of SympGNN in the node classification task, achieving accuracy comparable to the state-of-the-art. Finally, we also empirically show that SympGNN can overcome the oversmoothing and heterophily problems, two key challenges in the field of graph neural networks.

Deep learning↗
DOE OSTI2023

Machine-learning Kohn–Sham potential from dynamics in time-dependent Kohn–Sham systems

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Applying Linear Optics from Closed Orbits Modulation for finding beam-based alignment of harmonic sextupoles

A fast and accurate beam-based alignment (BBA) method for harmonic sextupoles has been devel oped at NSLS-II using Linear Optics from Closed Orbit Modulation (LOCOM). The approach excites the beam with simultaneous sine-wave signals at two fast correctors, chosen with an appropriate phase advance to span the full betatron phase space. This strategy suppresses systematic errors from hysteresis, while additional errors from orbit drift and power-supply calibration are minimized by the short measurement time (a few minutes) and reliance solely on beam-based current-to-field conver sion of the sextupoles, with hysteresis explicitly included. Simulations indicate that Linear Optics from Closed Orbits (LOCO) combined with 0.5 mm local orbit bumps can resolve relative sextupole field offsets (∆k₂) with precision better than 10% of k₂, reflecting to beam-based alignment (BBA) accuracy finer than 50 µm. Moreover, employing machine-learning-optimized local orbit bumps en hances sextupole-induced quadrupole signals in a deterministic manner and maintains orbit stability under large sextupole strength variations (±40%). The proposed method is experimentally validated through proof-of-principle measurements at NSLS-II, demonstrating its potential as a fast, precise, and robust tool for harmonic sextupole alignment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Vibrational heat-bath configuration interaction with semistochastic perturbation theory using harmonic oscillator or VSCF modals

Vibrational heat-bath configuration interaction (VHCI)—a selected configuration interaction technique for vibrational structure theory—has recently been developed in two independent works [J. H. Fetherolf and T. C. Berkelbach, J. Chem. Phys. 154, 074104 (2021); A. U. Bhatty and K. R. Brorsen, Mol. Phys. 119, e1936250 (2021)], where it was shown to provide accuracy on par with the most accurate vibrational structure methods with a low computational cost. Here, we eliminate the memory bottleneck of the second-order perturbation theory correction using the same (semi)stochastic approach developed previously for electronic structure theory. This allows us to treat, in an unbiased manner, much larger perturbative spaces, which are necessary for high accuracy in large systems. Stochastic errors are easily controlled to be less than 1 cm−1. We also report two other developments: (i) we propose a new heat-bath criterion and an associated exact implicit sorting algorithm for potential energy surfaces expressible as a sum of products of one-dimensional potentials; (ii) we formulate VHCI to use a vibrational self-consistent field (VSCF) reference, as opposed to the harmonic oscillator reference configuration used in previous reports. Our tests are done with quartic and sextic force fields, for which we find that with VSCF, the minor improvements to accuracy are outweighed by the higher computational cost associated the matrix element evaluations. We expect VSCF-based VHCI to be important for more general potential representations, for which the harmonic oscillator basis function integrals are no longer analytic.

Chemistry↗