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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

BCS-BEC crossover driven by small Fermi pockets of a high- T c cuprate superconductor

Fermi arcs observed in underdoped cuprates have sparked debate over whether they represent segments of a large Fermi surface or small Fermi pockets. This ambiguity has long hindered their classification as either the conventional Bardeen-Cooper-Schrieffer (BCS) regime or the strongly coupled Bose-Einstein condensation (BEC) crossover limit. Here, using angle-resolved photoemission spectroscopy and quantum oscillations, we demonstrate the coexistence of a small Fermi pocket and a large superconducting gap in the clean inner CuO 2 layers of the four-layer cuprate Ba 2 Ca 3 Cu 4 O 8 (F,O) 2 . This coexistence constitutes a hallmark of the BCS-BEC crossover and has remained elusive for decades. Despite the presence of antiferromagnetic (AF) order, the superconducting gap in the small pocket is remarkably large, yielding a gap-to-Fermi energy ratio (Δ pocket /ε F ~ 0.6) and a critical-to-Fermi temperature ratio (T c /T F ~ 0.13) that reach the theoretical upper bound for two-dimensional superconductivity. Unexpectedly, this BCS-BEC crossover emerges not as the carrier density decreases but as it increases, abruptly within a narrow doping range of less than 1%. These results provide a long-sought microscopic foundation for the d-wave pairing mechanism in doped AF-Mott insulators.

Jeong, Junhyeok [University of Tokyo, Kashiwa (Jap↗
DOE OSTI2025

Conditioned quantum-assisted deep generative surrogate for particle-calorimeter interactions

Particle collisions at accelerators like the Large Hadron Collider (LHC), recorded by experiments such as ATLAS and CMS, enable precise standard model measurements and searches for new phenomena. Simulating these collisions significantly influences experiment design and analysis but incurs immense computational costs, projected at millions of CPU-years annually during the high luminosity LHC (HL-LHC) phase. Currently, simulating a single event with Geant4 consumes around 1000 CPU seconds, with calorimeter simulations especially demanding. To address this, we propose a conditioned quantum-assisted generative model, integrating a conditioned variational autoencoder (VAE) and a conditioned restricted Boltzmann machine (RBM). Our RBM architecture is tailored for D-Wave’s Pegasus-structured advantage quantum annealer for sampling, leveraging the flux bias for conditioning. This approach combines classical RBMs as universal approximators for discrete distributions with quantum annealing’s speed and scalability. We also introduce an adaptive method for efficiently estimating effective inverse temperature, and validate our framework on Dataset 2 of CaloChallenge.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Competition between charge-density-wave and superconducting orders on eight-leg square Hubbard cylinders

The issue of whether d-wave superconductivity (SC) occurs in the square-lattice Hubbard model with U of order of the bandwidth has been one of the most debated issues to emerge from the study of high temperature SC. Here, we report variational results on eight-leg cylinders with next-nearest-neighbor hopping in the range $-0.5t\le t^{\prime} \le 0.25t$ with U = 8t and 12t and doped hole concentrations δ = 1/12 and 1/8. For $t^{\prime} \le 0$, the ground-state appears to be a charge-density wave (CDW) of one sort or another with SC correlations that are extremely short-ranged. In contrast, in some cases, the local magnetic order has a correlation length greater than half the cylinder width - suggestive that magnetic order might also arise in the 2D limit. For $t^{\prime} \le 0$, our results depend more strongly on boundary conditions (periodic vs antiperiodic), making it still harder to correctly guess whether SC or CDW correlations dominate in the 2D limit. These results were obtained employing matrix-product states with bond dimensions large enough that energy differences as small as 10 −3 t per site can be resolved.

materials science↗
DOE OSTI2025

Electrical switching of a p-wave magnet

Magnetic states with zero magnetization but non-relativistic spin splitting are outstanding candidates for the next generation of spintronic devices. Their electronvolt (eV)-scale spin splitting, ultrafast spin dynamics and nearly vanishing stray fields make them particularly promising for several applications. A variety of such magnetic states with non-trivial spin textures have been identified recently, including even-parity d-wave, g-wave or i-wave altermagnets and odd-parity p-wave magnets. Achieving voltage-based control of the non-uniform spin polarization of these magnetic states is of great interest for realizing energy-efficient and compact devices for information storage and processing. Spin-spiral type II multiferroics are optimal candidates for such voltage-based control, as they exhibit an inversion-symmetry-breaking magnetic order that directly induces ferroelectric polarization, allowing for symmetry-protected cross-control between spin chirality and polar order. Here we combine photocurrent measurements, first-principles calculations and group-theory analysis to provide direct evidence that the spin polarization of the spin-spiral type II multiferroic NiI 2 exhibits odd-parity character connected to the spiral chirality. The symmetry-protected coupling between chirality and polar order enables electrical control of a primarily non-relativistic spin polarization. Our findings represent an observation of p-wave magnetism in a spin-spiral type II multiferroic, which may lead to the development of voltage-based switching of non-relativistic spin polarization in compensated magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Orbital-spin locking and its optical signatures in altermagnets

Altermagnets, magnetic materials with zero magnetization and spin-split band structure, have gained tremendous attention recently for their rich physics and potential applications. Here, we report on a microscopic tight-binding model that unveils a unique coupling between orbitals and spins in d-wave altermagnets, which gives rise to momentum-dependent and spin-selective optical absorption. This coupling promotes the controlled optical excitation of up or down spins depending on the polarization direction of linearly polarized light. Such an effect originates from the coupling of orbitals to the sublattice degree of freedom through the crystal field, which is then coupled to spins through the antiferromagnetic interaction. Our crystal field analysis, which is general to any type of altermagnet, helps understand the onset of altermagnetism from a microscopic point of view, and we use our results to propose clear magneto-optical signatures of our predictions. Our findings shine light on the interplay between orbitals and spins in altermagnets, thus paving the way towards novel orbitronic and optospintronic devices.

Vila, Marc↗
DOE OSTI2024

Helium-4 gravitational form factors: Exchange currents

We evaluate the leading exchange corrections to the helium-4 gravitational form factors (GFFs) to momenta of the order of the nucleon mass. We use both the K-harmonic method with simple pair nucleon potential, and a Jastrow trial function using the Argonne 𝑣 14 potential, to evaluate the helium-4 GFFs. The exchange current contributions include the pair interaction, plus the seagull and the pion exchange interactions, modulo the recoil corrections. To estimate the off-shellness of the pion nucleon coupling in this momenta range, we discuss the results using either the pseudoscalar (PS) or pseudovector (PV) pion-nucleon couplings. When the PV coupling is used, the pair diagram contribution is higher order in the nonrelativistic expansion. The results for the helium-4 A-GFF are comparable to those given by the impulse approximation, especially for the PS coupling using both the K-harmonic method and variational method. The exchange current contributions with the PS coupling for the charge form factor of helium-4, yield better agreement with the existing data over a broad range of momenta, especially when the Argonne 𝑣 14 potential including the D-wave admixture is used.

A ≤ 5↗
DOE OSTI2024

Designing phase sensitive probes of monopole superconducting order

Distinct from familiar s-, p-, or d-wave pairings, the monopole superconducting order represents a novel class of pairing order arising from nontrivial monopole charge of the Cooper pair. In the weak-coupling regime, this order can emerge when pairing occurs between Fermi surfaces with different Chern numbers in, for example, doped Weyl semimetal systems. However, the phase of monopole pairing order is not well-defined over an entire Fermi surface, making it challenging to design experiments sensitive to both its symmetry and topology. To address this, we propose a scheme based on symmetry and topological principles to identify this elusive pairing order through a set of phase-sensitive Josephson experiments. By examining the discrepancy between global and local angular momentum of the pairing order, we can unveil the monopole charge of the pairing order, including for models with higher pair monopole charge |q p |=1,2, and 3. We demonstrate the proposed probe of monopole pairing order through analytic and numerical studies of Josephson coupling in models of monopole superconductor junctions. This work opens a promising avenue to uncover the unique topological properties of monopole pairing orders and to distinguish them from known pairing orders based on spherical harmonic symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum/AI Topology-Aware Latency-Adaptive HPC Workflow Scheduling Optimization

The growing demand for more powerful high-performance computing (HPC) systems has led to a steady rise in energy consumption by supercomputing worldwide. This study is focused on comparing our Application-Topology Mapper (ATMapper) to the popular Simple Linux Utility for Resource Management (SLURM) for the purpose of exploring methods that can further optimize job-scheduling within HPC systems. ATMapper is an Artificial-Intelligence based approach to job-scheduling that is currently being enhanced with quantum annealing (QA) to generate optimal schedules faster. We are applying QA to speedup our ATMapper process to achieve higher computing efficiency, thereby reducing HPC energy consumption. Here, we examine how four job-scheduling approaches perform in processor node assignment when using an example network architecture of 4 interconnected nodes. Using a specialized script, we are assessing the schedule of a computation flow with 11 interdependent tasks. The data movements among nodes were tracked to count for the number of interactions (network hops) between nodes needed to complete the tasks. The total number of hops and the job completion time were then used to quantify the efficiency of the different mapping approaches. In addition to SLURM, we also compare our ATMapper to the QA-enabled LBNL TIGER and the D-Wave Distributed Computing processor assignment approaches. The preliminary results showed that our topology-aware, latency-adaptive ATMapper is significantly more efficient when compared to the other scheduling approaches due to its load-imbalance network allocation. The scheduler displayed a computing efficiency of 53% by performing significantly fewer network hops than its alternatives. By reducing the number of hops, ATMapper was able to perform all 11 tasks by using only 3 nodes out of given 4. This research indicates the potential to use QA/AI for HPC job-scheduling. Later, we will test a SLURM simulator program to draw further comparisons on the effectiveness of ATMapper's scheduling approach. The results of this comparison will serve as a baseline for later improving SLURM's performance using a QA-enhanced ATMapper approach.

Caraveo, Braulio [University of Huston - Clear Lak↗
DOE OSTI2026

Magnetic hysteresis experiments performed on quantum annealers

While quantum annealers have emerged as versatile and controllable platforms for experimenting on correlated spin systems, the important phenomenology of magnetic memory and hysteresis remain unexplored on hardware designed to escape metastable states via quantum tunneling. Here, we present the first general protocol to experiment on magnetic hysteresis on programmable quantum annealers and implement it on three D-Wave superconducting qubit quantum annealers, using up to thousands of spins, for both ferromagnetic and disordered Ising models, and across different graph topologies. We observe hysteresis loops whose area depends nonmonotonically on quantum fluctuations, exhibiting both expected and unexpected features, such as disorder-induced steps and nonmonotonicities. Our work establishes quantum annealers as a platform for probing nonequilibrium emergent magnetic phenomena, thereby broadening the role of analog quantum computers into foundational questions in condensed matter physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Studies of elastic e-NH3 collisions

Differential and momentum-transfer cross sections for the elastic scattering of electrons by NH3 have been obtained for collision energies of between 2.5 and 20 eV using the fixed-nuclei static-exchange approximation of the Schwinger variational principle. At intermediate and large scattering angles, good agreement is found between calculated and relative experimental cross sections. The differential cross sections reveal evidence of a weak d-wave enhancement around 8 eV.

Pritchard, H. P.↗
NASA NTRS1989

Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

Scalapino, D. J.↗
NASA NTRS1990

Interacting nuclei in distant galaxies

The N-galaxy 3C 390.3 has been monitored spectroscopically since 1974 (Osterbrock, Koski and Phillips 1975; Oke 1988). From various archives and literature, it is found that the Balmer lines change their intensities and profiles in a dramatic manner. The H alpha profile is very broad and peculiar, and the relative intensities of its two humps changes consistently with time, possibly periodically. Before 1980, the blue hump was significantly stronger than the one in the red. From 1980 to 1983 the blue hump became stronger (see Oke 1988). After 1983 the H alpha profile has returned to its early shape and seems to have completed a full circle. Unlike the rapid (on the order of a month or even less) and aperiodic variation in the continuum and integrated line intensities, the change in broad profile seems slow and consistent. Taking the analogy of cataclysmic variables, the double-horn profiles have been observed in cases of interacting stars. For example, the emission lines, both in He II and hydrogen Balmer lines in GD 552 (Stover 1985) show double-horn profiles and periodical changes in their line profiles, including the change in ratios of two humps. It is understood that the D-wave components (Smak 1976) are the signature of an emitting disk and the S-wave component is from the emission at a hot spot which rotates and results in a moving component in the velocity space. The mass flow from the nearby interacting star provides the stream toward the core of a neutron star or white dwarf. Therefore, it is proposed that the variation of broad line profiles observed in 3C 390.3 may be the result of a pair of interacting massive cores. The rotational velocity dominates and produces a variable double-horn profile. However, the line widths observed in broad line radio galaxies are one order larger than that in interacting stars. The Balmer decrements imply a much smaller density (10(exp 10-12) cm(exp-3)) than that in the cataclysmic variables. The much larger velocity and much thinner density make it unlikely that the broad line emission is simply formed in an accretion disk. The authors postulate that a significant rotational motion is involved. If the observed squared profiles are indeed due to the rotational velocity field, one can naturally explain their rare occurrence.

Zheng, Wei↗
NASA NTRS1995

Electronic properties of Y-Ba-Cu-O superconductors as seen by Cu and O NMR/NQR

Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) allow the investigation of electronic properties at the atomic level. We will report on such studies of typical members of the the Y-Ba-Cu-O family such as YBa2Cu30(6 + x) (1-2-3-(6 + x)), YBa2Cu4O8 (1-2-4) and Y2Ba4Cu7015 (2-4-7) with many examples of recent work performed in our laboratory. In particular, we will deal with Knight shift and relaxation studies of copper and oxygen. We will discuss important issues of current studies such as: (1) Existence of a common electronic spin-susceptibility in the planes (and perhaps in the chains) of 1-2-4; (2) Strong evidence for the existence of a pseudo spin-gap of the antiferromagnetic fluctuations in 1-2-4 and 2-4-7; (3) Evidence for d-wave pairing in 1-2-4; (4) Strong coupling of inequivalent Cu-O planes in 2-4-7 and possible origin for the high Tc value of this compound; and (5) The possibility to describe NMR data in the framework of a charge-excitation picture.

Brinkmann, D.↗
NASA NTRS1999

Vortex-State Complex Hall Conductivity of Superconducting YBa2Cu3O7 Epitaxial Films at Radio Frequencies

The first intermediate-frequency measurements of the vortex-state complex Hall conductivity \sigma_xy of YBa_2CU_3O_7 superconducting epitaxial films are reported. A direct transport measurement technique from dc to 7 MHz was used. The results are analyzed in terms of a phenomenological model, generalized from that for the dc Hall conductivity, with the assumptions that: 1) the sign reversal in the vortex-state Hall conductivity is associated with the different carrier densities within and far away from the vortex cores; 2) the Drude approximation Is applicable; and 3) the anomalous sign reversal occurs in the flux-flow Limit. The temperature, frequency, and magnetic field (B) dependencies of our \sigma_xy data are in good agreement with the model. The B-dependence of \sigma_xy reveals that both vortices (\sigma_xyAv \propto BA-1) and quasiparticles (sigma_xyAq \propto B) contribute to the vortex-state Hall conduction. The magnitude of the real part of \sigma_xy, \sigma_xyA\prime, is in good agreement with our model, while that of the imaginary part, \sigma_xyA\prime \prime, is significantly Luger than the theoretical prediction. This may be attributed to the unconventional electronic structures in the vortex core of cuprate superconductors with d-wave or mixed pairing symmetries.

Beam, D. A.↗
NASA NTRS2001

Resonances in Positronium Hydride

Recently, Ho and his colleagues have calculated the positions and widths of a series of resonances in the Ps+H scattering system, using the complex -rotation method and have compared them with estimates that I made many years ago using a quite different technique. I assumed that the resonance mechanism was the existence in the rearrangement channel [e+ + H-] of an infinite series of perturbed Coulomb bound states. Although these must be broadened and shifted by coupling with the open scattering channel, I expected them to lie very close to the actual resonance positions. To verify this, I did a model calculation for S-waves, including the coupling, and found that the first two resonances were not shifted very far from their unperturbed position. The new, detailed calculation agrees with this result, but when the P-wave was examined it was found, surprisingly, that the lowest resonance indeed moved up in energy by a large amount. With the help of Joseph DiRienzi of the College of Notre Dame of Maryland I am now extending the old calculation to P- and D-waves, in an attempt to understand this unexpected energy shift. Results will be presented at the Workshop.

Drachman, Richard J.↗
NASA NTRS2014

Phase Transitions in Planning Problems: Design and Analysis of Parameterized Families of Hard Planning Problems

There are two common ways to evaluate algorithms: performance on benchmark problems derived from real applications and analysis of performance on parametrized families of problems. The two approaches complement each other, each having its advantages and disadvantages. The planning community has concentrated on the first approach, with few ways of generating parametrized families of hard problems known prior to this work. Our group's main interest is in comparing approaches to solving planning problems using a novel type of computational device - a quantum annealer - to existing state-of-the-art planning algorithms. Because only small-scale quantum annealers are available, we must compare on small problem sizes. Small problems are primarily useful for comparison only if they are instances of parametrized families of problems for which scaling analysis can be done. In this technical report, we discuss our approach to the generation of hard planning problems from classes of well-studied NP-complete problems that map naturally to planning problems or to aspects of planning problems that many practical planning problems share. These problem classes exhibit a phase transition between easy-to-solve and easy-to-show-unsolvable planning problems. The parametrized families of hard planning problems lie at the phase transition. The exponential scaling of hardness with problem size is apparent in these families even at very small problem sizes, thus enabling us to characterize even very small problems as hard. The families we developed will prove generally useful to the planning community in analyzing the performance of planning algorithms, providing a complementary approach to existing evaluation methods. We illustrate the hardness of these problems and their scaling with results on four state-of-the-art planners, observing significant differences between these planners on these problem families. Finally, we describe two general, and quite different, mappings of planning problems to QUBOs, the form of input required for a quantum annealing machine such as the D-Wave II.

Problems↗
NASA NTRS2015

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

Quantum Monte Carlo↗
DOE OSTI2025

Beyond-classical computation in quantum simulation

Quantum computers hold the promise of solving certain problems that lie beyond the reach of conventional computers. However, establishing this capability, especially for impactful and meaningful problems, remains a central challenge. Here, we show that superconducting quantum annealing processors can rapidly generate samples in close agreement with solutions of the Schrödinger equation. We demonstrate area-law scaling of entanglement in the model quench dynamics of two-, three-, and infinite-dimensional spin glasses, supporting the observed stretched-exponential scaling of effort for matrix-product-state approaches. We show that several leading approximate methods based on tensor networks and neural networks cannot achieve the same accuracy as the quantum annealer within a reasonable time frame. Thus, quantum annealers can answer questions of practical importance that may remain out of reach for classical computation.

King, Andrew D. [D-Wave Quantum Inc., Burnaby, BC ↗