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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Coupling of Klein-Andreev resonant states in B⁢i 2 ⁢S⁢r 2 ⁢CaC⁢u 2 ⁢O 8+𝑥 -graphene-B⁢i 2⁢ S⁢r 2 ⁢CaC⁢u 2 ⁢O 8+𝑥 devices

Quantum devices require coherent coupling over macroscopic distances. Recently, resonances due to Klein tunneling and Andreev reflection states (KARS) have been observed in a naturally occurring p-n junction at the interface between B⁢i 2 ⁢S⁢r 2 ⁢CaC⁢u 2 ⁢O 8+𝑥 (BSCCO), a high−⁢𝑇 c superconductor (HTS), and graphene. The resonances appear as conductance oscillations with gating. Here, in this study, we show coupling between the KARS in BSCCO-graphene-BSCCO devices of varying separation (L). The coupling is evidenced by a power-law decay of resonance period as L increases from tens of nanometers to microns. These results demonstrate the long-distance coupling of KARS cavities in graphene-HTS junctions. The length dependence seen in experiments is supported by single-particle spectral functions which show KARS are coupled by transport modes in graphene. The strong coupling between KARS in BSCCO-graphene-BSCCO devices showcases the possibility of HTS-graphene junctions for quantum circuits and unconventional Josephson junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

High-throughput spin-bath characterization of spin defects in semiconductors

Detailed knowledge of the local environments of spin defects in semiconductors, such as nitrogenvacancy (NV) centers in diamond or divacancies in silicon carbide, is crucial for optimizing control and entanglement protocols in quantum sensing and information applications. However, at present a direct experimental characterization of individual defect environments is not scalable, as conventional spin-bath measurements are time consuming and difficult to automate. Achieving high-throughput characterization requires short experiments to probe the spin bath. However, with fewer and noisier measurements, the inverse problem of recovering spin-bath properties from measured data becomes ill posed, with multiple spin baths having a high likelihood of yielding the same data. In this work, we present a set of computational tools to resolve the ill-posed inverse problem of recovering the atomic positions and hyperfine couplings of random nuclei surrounding spin defects from sparse, noisy experimental coherence data, which can be obtained in hours. Here, we use a trans-dimensional Bayesian approach that incorporates ab initio data to yield full posterior distributions over nuclear spin environments, enabling robust recovery from limited data. We also provide practical tools and guidelines to determine the limits of detectability for hyperfine couplings under specific dynamical decoupling sequences and sampling conditions. In addition, we demonstrate how the tools developed here, in combination with ab initio simulations of spin baths, can guide the design of efficient experimental protocols for application-specific high-throughput screening. To showcase the utility of our approach, we apply it to design fast dynamical decoupling experiments to characterize the spin baths often individual NV centers in diamond. While the primary focus is on accelerating spin-bath characterization of spin defects, this Bayesian approach also lays the foundation for digital-twin studies of spin defects, where a virtual model of the spin-defect system evolves in real time with ongoing experimental measurements. Together, the set of tools we designed and applied paves the way for scalable deployment of spin defects in semiconductors for quantum sensing and information applications.

Bayesian methods↗
DOE OSTI2025

Cheaper and more noise-resilient quantum state preparation using eigenvector continuation

Subspace methods are powerful, noise-resilient methods that can effectively prepare ground states on quantum computers. The challenge is to get a subspace with a small condition number that spans the states of interest using minimal quantum resources. In this work, we will use eigenvector continuation to build a subspace from the low-lying states of a set of Hamiltonians. The basis vectors are prepared using truncated versions of standard state preparation methods such as imaginary-time evolution (ITE), adiabatic state preparation (ASP), and variational quantum eigensolver. By using these truncated methods combined with eigenvector continuation, we can directly improve upon them, obtaining more accurate ground-state energies at a reduced cost. We use several spin systems to demonstrate convergence even when methods like ITE and ASP fail, such as ASP in the presence of level crossings and ITE with vanishing energy gaps. We also showcase the noise resilience of this approach beyond the gains already made by having shallower quantum circuits. Furthermore, our findings suggest that eigenvector continuation can be used to improve existing state preparation methods in the near term.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Tapering-enhanced high-efficiency THz waveguide oscillator

Using a waveguide in a THz FEL has been shown to maximize the coupling and enable efficient extraction of relativistic electron beam energy from a single passage through a tapered helical undulator. An oscillator configuration can further boost energy extraction above the single-pass limits and open the door toward very high average power THz sources. Embedding the undulator in an oscillator cavity is particularly useful in combination with high repetition rate electron sources, even if at reduced peak brightness, since recycling a fraction of the radiation as an intense seed can compensate for lower single-pass gain. In this paper, we investigate the efficiency scaling of a tapering-enhanced waveguide oscillator, showcasing its capability for frequency-tuning operation and high-efficiency operation at different wavelengths. Using a thermionic-driven beamline equipped with compression elements, numerical start-to-end simulation results indicate a 16% efficiency at 200 GHz and a 2.1% efficiency at 1.5 THz, resulting in kW-level average power out-coupled in radiation pulses with few hundred μ J energy and tens of MW peak power. Published by the American Physical Society 2024

Yang, Y. N. (ORCID:0009000849540151)↗
DOE OSTI2025

Domain-specific text embedding model for accelerator physics

Accelerator physics presents unique challenges for natural language processing (NLP) due to its specialized terminology and complex concepts. A key component in overcoming these challenges is the development of robust text embedding models that transform textual data into dense vector representations, facilitating efficient information retrieval and semantic understanding. In this work, we introduce AccPhysBERT, a sentence embedding model fine-tuned specifically for accelerator physics. Our model demonstrates superior performance across a range of downstream NLP tasks, surpassing existing models in capturing the domain-specific nuances of the field. We further showcase its practical applications, including semantic paper-reviewer matching and integration into retrieval-augmented generation systems, highlighting its potential to enhance information retrieval and knowledge discovery in accelerator physics. Published by the American Physical Society 2025

Hellert, Thorsten (ORCID:0000000227970926)↗
DOE OSTI2024

Phase-resolving spin-wave microscopy using infrared strobe light

The need for sensitively and reliably probing magnetization dynamics has been increasing in various contexts such as studying novel hybrid magnonic systems, in which the spin dynamics strongly and coherently couple to other excitations, including microwave photons, light photons, or phonons. Recent advances in quantum magnonics also highlight the need for employing the magnon phase as quantum state variable, which is to be detected and mapped out with high precision in on-chip micro- and nanoscale magnonic devices. Here, in this study, we demonstrate a facile optical technique that can directly perform concurrent spectroscopic and imaging functionalities with spatial and phase resolutions, using infrared strobe light operating at 1550-nm wavelength. To showcase the methodology, we spectroscopically studied the phaseresolved spin dynamics in a bilayer of Permalloy and yttrium iron garnet Y 3 Fe 5 O 12 (YIG), and spatially imaged the backward-volume spin-wave modes of YIG in the dipolar spin-wave regime. Using the strobe light probe, the detected precessional phase contrast can be directly used to construct the map of the spin wave's wave front, in the continuous-wave regime of spin-wave propagation and in the stationary state, without needing any optical reference path. By selecting the applied field, frequency, and detection phase, the spin-wave images can be made sensitive to the precession amplitude and phase. Our results demonstrate that infrared optical strobe light can serve as a versatile platform for magneto-optical probing of magnetization dynamics, with potential implications in investigating hybrid magnonic systems.

Xiong, Yuzan [University of North Carolina, Chapel↗
DOE OSTI2024

Ab initio description of bcc iron with correlation matrix renormalization theory

We applied the ab initio spin-polarized correlation matrix renormalization theory to the ferromagnetic state of the bulk bcc iron. We showed that it was capable of reproducing the equilibrium physical properties and the pressure-volume curve in good comparison with experiments. We then focused on the analysis of its local electronic correlations. By exploiting different local fluctuation-related physical quantities as measures of electronic correlation within target orbits, we elucidated the different roles of t 2g and e g states in both spin channels and presented compelling evidence to showcase this distinction in their electronic correlation.

3-dimensional systems↗
DOE OSTI2024

Effects of Na deficiency on spin dynamics in the Mott insulating Na 4−x Ir 3 O 8

Here, we report on Raman scattering and 23 Na nuclear magnetic resonance (NMR) investigations of j eff = 1/2 hyperkagome antiferromagnet Na 4−x Ir 3 O 8 , which lies in the Mott insulating state. Our Raman scattering experiments unveil remarkable parallels between the magnetic excitations of the pristine Na 4 Ir 3 O 8 and the Kitaev honeycomb material Na 2 IrO 3 , which are characterized by dominant fractional spinon excitations. In the case of moderate Na-deficient Na 4−x Ir 3 O 8 , however, a substantial suppression of the magnetic excitations is observed, alluding to the notable influence of charge fluctuations on spin dynamics. In addition, our site-specific 23 Na NMR measurements offer further insights into the spin dynamics when a minor concentration of holes is introduced into a spin-orbit coupled Mott insulator. Specifically, the spin-lattice relaxation rate 1/ T 1 reveals the emergence of pseudogaplike correlations at the Na(2) site, alongside a critical slowing down behavior at the Na(1) and Na(3) sites. These findings showcase the intricate interplay between itinerant holes and magnetic correlations in a spin-liquid-like background.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Filling-enforced obstructed atomic insulators

Topological band theory has achieved great success in the high-throughput search for topological band structures both in paramagnetic and magnetic crystal materials. However, a significant proportion of materials are topologically trivial insulators at the Fermi level. In this paper, we show that, remarkably, for a subset of the topologically trivial insulators, knowing only their electron number and the Wyckoff positions of the atoms we can separate them into two groups: the obstructed atomic insulator (OAI) and the atomic insulator (AI). The interesting group, the OAI, have a center of charge not localized on the atoms. Using the theory of topological quantum chemistry, in this work we first derive the necessary and sufficient conditions for a topologically trivial insulator to be a filling enforced obstructed atomic insulator (feOAI) in the 1651 Shubnikov space groups. Remarkably, the filling enforced criteria enable the identification of obstructed atomic bands without knowing the representations of the band structures. Hence, no calculations are needed for the filling enforced criteria, although they are needed to obtain the band gaps. With the help of the Topological Quantum Chemistry website, we have performed a high-throughput search for feOAIs and have found that 957 ICSD entries (638 unique materials) are paramagnetic feOAIs, among which 738 (475) materials have an indirect gap. The metallic obstructed surface states of feOAIs are also showcased by several material examples. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2024

High-fidelity dimer excitations using quantum hardware

The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS), necessitates a long timescale for circuit evolution. This is because the energy resolution is directly related to the time over which the circuit could be meaningfully evolved. However, canonical Trotterization requires deep circuits precluding such long-time evolution—even for a small number of qubits. Here, in this study, we demonstrate “direct” resource efficient fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics of spin Hamiltonians. We showcase the results of the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems, whose density of states we simulate accurately. The long temporal evolution and measurement of the two-spin correlation functions enable the calculation of the dynamical structure factor S⁡(Q = 0, ω) measured in the neutron scattering cross-section. We exhibit the clarity of the triplet gap and the triplet splitting of the quantum dimer with class-leading fidelity that enables comparison to experimental neutron data. Our results on current circuit hardware outline an important workflow to predict and benchmark against the outputs of INS experiments of quantum magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Quasi-Lindblad pseudomode theory for open quantum systems

Here, we introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax the complete positivity requirement in the Lindblad master equation and formulate a quasi-Lindblad pseudomode theory. We show that this quasi-Lindblad pseudomode formulation directly leads to a representation of the bath correlation function in terms of a complex weighted sum of complex exponentials, an expansion that is known to be rapidly convergent in practice and thus leads to a compact set of pseudomodes. The pseudomode representation is not unique and can differ by a gauge choice. When the global dynamics can be simulated exactly, the system dynamics is unique and independent of the specific pseudomode representation. However, the gauge choice may affect the stability of the global dynamics, and we provide an analysis of why and when the global dynamics can retain stability despite losing positivity. We showcase the performance of this formulation across various spectral densities in both bosonic and fermionic problems, finding significant improvements over conventional pseudomode formulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements

The adaptive variational quantum dynamics simulation (AVQDS) method performs real-time evolution of quantum states using automatically generated parametrized quantum circuits that often contain substantially fewer gates than Trotter circuits. Here we report an improved version of the method, which we call AVQDS(T), by porting the tiling efficient trial circuits with rotations implemented simultaneously technique. The algorithm adaptively adds layers of disjoint unitary gates to the ansatz circuit so as to keep the McLachlan distance, a measure of the accuracy of the variational dynamics, below a fixed threshold. Here we perform benchmark noiseless AVQDS(T) simulations of quench dynamics in local spin models and compare with an alternative adaptive variational approach on quantum resource requirement. Quantum dynamical simulations implementing realistic noise channels are also reported. Finally, we propose a way to substantially alleviate the measurement overhead of AVQDS(T) while maintaining high accuracy by synergistically integrating quantum circuit calculations on quantum processing units with classical calculations using, e.g., tensor networks to evaluate the quantum geometric tensor. We showcase that this approach enables AVQDS(T) to deliver more accurate results than simulations using a fixed ansatz of comparable final depth for a significant time duration with fewer quantum resources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Infrared-safe energy weighting does not guarantee small nonperturbative effects

Infrared and collinear (IRC) safety has long been used a proxy for robustness when developing new jet substructure observables. This guiding philosophy has been carried into the deep learning era, where IRC-safe neural networks have been used for many jet studies. For graph-based neural networks, the most straightforward way to achieve IRC safety is to weight particle inputs by their energies. However, energy-weighting by itself does not guarantee that perturbative calculations of machine-learned observables will enjoy small nonperturbative corrections. Here, in this paper, we demonstrate the sensitivity of IRC-safe networks to nonperturbative effects, by training an energy flow network (EFN) to maximize its sensitivity to hadronization. We then show how to construct Lipschitz energy flow networks (L-EFNs), which are both IRC safe and relatively insensitive to nonperturbative corrections. We demonstrate the performance of L-EFNs on generated samples of quark and gluon jets, and showcase fascinating differences between the learned latent representations of EFNs and L-EFNs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Demonstration of new MeV-scale capabilities in large neutrino LArTPCs using ambient radiogenic and cosmogenic activity in MicroBooNE

Large neutrino liquid argon time projection chamber (LArTPC) experiments can broaden their physics reach by reconstructing and interpreting MeV-scale energy depositions, or blips, present in their data. We demonstrate new calorimetric and particle discrimination capabilities at the MeV energy scale using reconstructed blips in data from the MicroBooNE LArTPC at Fermilab. We observe a concentration of low-energy (<3 MeV) blips around fiberglass mechanical support struts along the time projection chamber edges with energy spectrum features consistent with the Compton edge of 2.614 MeV 208 Tl decay 𝛾 rays. These features are used to verify proper calibration of electron energy scales in MicroBooNE’s data to few percent precision and to measure the specific activity of 208 Tl in the fiberglass composing these struts, (11.7 ± 0.2⁢(stat) ± 3.1⁢(syst)) Bq/kg. Cosmogenically produced blips above 3 MeV in reconstructed energy are used to showcase the ability of large LArTPCs to distinguish between low-energy proton and electron energy depositions. An enriched sample of low-energy protons selected using this new particle discrimination technique is found to be smaller in data than in dedicated corsika cosmic-ray simulations, suggesting either incorrect corsika modeling of incident cosmic fluxes or particle transport modeling issues in geant4.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Inhomogeneous energy injection in the 21-cm power spectrum: Sensitivity to dark matter decay

The 21-cm signal provides a novel avenue to measure the thermal state of the Universe during cosmic dawn and reionization (redshifts z ~ 5–30), and thus to probe energy injection from decaying or annihilating dark matter (DM). These DM processes are inherently inhomogeneous: both decay and annihilation are density-dependent, and furthermore, the fraction of injected energy that is deposited at each point depends on the gas ionization and density, leading to further anisotropies in absorption and propagation. In this work, we develop a new framework for modeling the impact of spatially inhomogeneous energy injection and deposition during cosmic dawn, accounting for ionization and baryon density dependence, as well as the attenuation of propagating photons. We showcase how this first completely inhomogeneous treatment affects the predicted 21-cm power spectrum in the presence of exotic sources of energy injection, and forecast the constraints that upcoming HERA measurements of the 21-cm power spectrum will set on DM decays to photons and to electron/positron pairs. These projected constraints considerably surpass those derived from CMB and Lyman-a measurements, and for decays to electron/positron pairs they exceed all existing constraints in the sub-GeV mass range, reaching lifetimes of ~10 28 s. Our analysis demonstrates the unprecedented sensitivity of 21-cm cosmology to exotic sources of energy injection during the cosmic dark ages. Our code, dm21cm, includes all these effects and is publicly available in an accompanying release.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Accelerating particle-in-cell kinetic plasma simulations via reduced-order modeling of space-charge dynamics using dynamic mode decomposition

We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma simulations such as EMPIC is manifested through the plasma current density defined along the edges of the spatial mesh. We showcase the efficacy of DMD in modeling the time evolution of current density through a low-dimensional feature space. Not only do such DMD based predictive reduced-order models help accelerate EMPIC simulations, they also have the potential to facilitate investigative analysis and control applications. Here, we demonstrate the proposed DMD-EMPIC scheme for reduced-order modeling of current density and speedup in EMPIC simulations involving electron beam under the influence of magnetic field, virtual cathode oscillations, and backward wave oscillator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Power-Law Entanglement and Hilbert Space Fragmentation in Nonreciprocal Quantum Circuits

Quantum circuits utilizing measurement to evolve a quantum wave function offer a new and rich playground to engineer unconventional entanglement dynamics. Here, in this work, we introduce a hybrid, nonreciprocal setup featuring a quantum circuit, whose updates are conditioned on the state of a classical dynamical agent. In our example the circuit is represented by a Majorana quantum chain controlled by a classical N-state Potts chain undergoing pair flips. The local orientation of the classical spins controls whether randomly drawn local measurements on the quantum chain are allowed or not. This imposes a dynamical kinetic constraint on the entanglement growth, described by the transfer matrix of an N-colored loop model. It yields an equivalent description of the circuit by an SU(N)-symmetric Temperley-Lieb Hamiltonian or by a kinetically constrained surface growth model for an N-component height field. For N = 2, we find a diffusive growth of the half-chain entanglement toward a stationary profile S(L) ~ L 1/2 for L sites. For N ≥ 3, the kinetic constraints impose Hilbert space fragmentation, yielding subdiffusive growth toward S(L) ~ L 0.57 . This showcases how the control by a classical dynamical agent can enrich the entanglement dynamics in quantum circuits, paving a route toward novel entanglement dynamics in nonreciprocal hybrid circuit architectures.

1-dimensional spin chains↗
DOE OSTI2024

Detecting Multipartite Entanglement Patterns Using Single-Particle Green’s Functions

Here, we present a protocol for detecting multipartite entanglement in itinerant many-body electronic systems using single-particle Green’s functions. To achieve this, we first establish a connection between the quantum Fisher information and single-particle Green’s functions by constructing a set of witness operators built out of single electron creation and destruction operators in a doubled system. This set of witness operators is indexed by a momentum k. We compute the quantum Fisher information for these witness operators and show that for thermal ensembles it can be expressed as an autoconvolution of the single-particle spectral function. We then apply our framework to a one-dimensional fermionic system to showcase its effectiveness in detecting entanglement in itinerant electron models. We observe that the detected entanglement level is sensitive to the wave vector associated with witness operator. Our protocol will permit detecting entanglement in many-body systems using scanning tunneling microscopy and angle-resolved photoemission spectroscopy, two spectroscopies that measure the single-particle Green’s function. It offers the prospect of the experimental detection of entanglement through spectroscopies beyond the established route of measuring the dynamical spin response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗