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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Robust qubit interactions mediated by photonic topological edge states

Here, we investigate the coupling of two spatially separated qubits via topologically protected edge states in a two-dimensional Hofstadter lattice. In this hybrid platform, the qubits are coupled to distinct edge sites of the lattice, enabling long-range interactions mediated by topological edge modes. We solve the full system Hamiltonian and analyze the resulting eigenstate structure to uncover the conditions under which coherent qubit interactions emerge. Our analysis reveals that the effective coupling is highly sensitive to the qubit placement, energy detuning, and the topological character of the edge spectrum. We obtain an analytical solution that goes beyond the perturbative regime, capturing the full interplay between the qubits and edge modes. These results provide a foundation for exploring information transport and many-body effects in engineered quantum systems where interactions are mediated by topological edge modes.

Chern insulators↗
DOE OSTI2026

Melting of charge density waves in low dimensions

Charge density waves (CDWs) are collective electronic states that can reshape and melt, even while confined within a rigid atomic crystal. In two dimensions, melting is predicted to be distinct, proceeding through partially ordered nematic and hexatic states that are neither liquid nor crystal. Here, we measure and explain how continuous, hexatic melting of incommensurate CDWs occurs in low-dimensional materials. As a CDW is thermally excited, disorder emerges progressively—initially through smooth elastic deformations that modulate the local wavelength and subsequently via the nucleation of topological defects. Experimentally, we track three hallmark signatures of CDW melting—azimuthal superlattice peak broadening, wavevector contraction, and integrated intensity decay.

42 ENGINEERING↗
DOE OSTI2025

On-demand magnon resonance isolation in cavity magnonics

Cavity magnonics is a promising field focusing on the interaction between spin waves (magnons) and other types of signal. In cavity magnonics, isolation of magnons from the cavity to allow signal storage and processing fully in the magnonic domain is highly desired, but its realization is often hindered by the lack of necessary tunability of the interaction. This work shows that by using the collective mode of two yttrium iron garnet spheres and applying Floquet engineering, magnonic signals can be switched on demand to a magnon dark mode that is protected from the environment, enabling a variety of manipulation over the magnon dynamics. Furthermore, our demonstration can be scaled up to systems with an array of magnonic resonators, paving the way for large-scale programmable hybrid magnonic circuits.

42 ENGINEERING↗
DOE OSTI2023

A characterization of quantum Kerr optical frequency combs

Quantum Kerr optical frequency combs are generated by pumping a high-Q microresonator with a continuous wave resonant laser. Below threshold, two pump photons are symmetrically up- and down-converted as twin photons via spontaneous four-wave mixing, thereby generating up to a hundred paired channels. Furthermore, these chipscale, high-dimensional and room-temperature systems are expected to play a major role in quantum engineering. However, their theoretical description is still unclear. Here, we present an explicit description of this quantum system via a frequency-bin state and its density operator, and explore the properties of the eigenkets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Non-Contact Eddy Current Method for Assessing Proton Conductivity in Nafion Membranes

Accurate measurement of proton conductivity in Proton Exchange Membranes (PEMs) is vital for fuel cell performance and durability. This study explores eddy current testing as a non-destructive, non-contact and high-rate quality control (QC) method for measuring Nafion membrane proton conductivity, with potential for high-volume manufacturing applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Exponential acceleration of macroscopic quantum tunneling in a Floquet Ising model

The exponential suppression of macroscopic quantum tunneling (MQT) in the number of elements to be reconfigured is an essential element of broken symmetry phases. This suppression is also a core bottleneck in quantum algorithms, such as traversing an energy landscape in optimization, and adiabatic state preparation more generally. In this work, we demonstrate exponential acceleration of MQT through Floquet engineering with the application of a uniform, high frequency transverse drive field. Using the ferromagnetic phase of the transverse field Ising model in one and two dimensions as a prototypical example, we identify three phenomenological regimes as a function of drive strength. For weak drives, the system exhibits exponentially decaying tunneling rates but robust magnetic order; in the crossover regime at intermediate drive strength, we find polynomial decay of tunnelling alongside vanishing magnetic order; and at very strong drive strengths both the Rabi frequency and time-averaged magnetic order are approximately constant with increasing system size. We support these claims with extensive full wavefunction and tensor network numerical simulations, and theoretical analysis. An experimental test of these results presents a technologically important and novel scientific question accessible on NISQ-era quantum computers.

Grattan, George↗
DOE OSTI2022

Long-lived Bell states in an array of optical clock qubits

The generation of long-lived entanglement in optical atomic clocks is one of the main goals of quantum metrology. Arrays of neutral atoms, where Rydberg-based interactions may generate entanglement between individually controlled and resolved atoms, constitute a promising quantum platform to achieve this. Here we leverage the programmable state preparation afforded by optical tweezers and the efficient strong confinement of a three-dimensional optical lattice to prepare an ensemble of strontium-atom pairs in their motional ground state. We engineer global single-qubit gates on the optical clock transition and two-qubit entangling gates via adiabatic Rydberg dressing, enabling the generation of Bell states with a state-preparation-and-measurement-corrected fidelity of 92.8(2.0)% (87.1(1.6)% without state-preparation-and-measurement correction). For use in quantum metrology, it is furthermore critical that the resulting entanglement be long lived; we find that the coherence of the Bell state has a lifetime of 4.2(6) s via parity correlations and simultaneous comparisons between entangled and unentangled ensembles. Such long-lived Bell states can be useful for enhancing metrological stability and bandwidth. In the future, atomic rearrangement will enable the implementation of many-qubit gates and cluster state generation, as well as explorations of the transverse field Ising model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

CRADA Number NFE-24-10110 with Qubit Engineering Inc. (CRADA Final Report)

Over the past year, the Qubit Engineering team has pushed the frontiers of power‑grid optimization, working in close collaboration with Oak Ridge National Laboratory (ORNL) and the Tennessee Valley Authority (TVA). Their progress is reflected in three newly submitted conference papers, “Unified Relational GNN Architecture for AC Optimal Power Flow Calculations in Electric Grids,” “Graph‑Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical‑Power Networks,” and “Enhanced Power‑Grid Maintenance Planning and Quantum‑Inspired Combinatorial Prospects.” These publications showcase state‑of‑the‑art graph‑neural‑network methods for AC‑OPF and novel quantum‑inspired heuristics for maintenance scheduling. Beyond the academic results, the Qubit team has converted the research into two production‑grade tools built on TVA data: Neuro‑Grid, an AI‑driven power‑flow simulator that provides instant, interactive full‑grid load‑flow visualizations, and Quanta‑Grid, a quantum‑inspired maintenance‑scheduling engine to support logistics optimization for power utilities. Together, these advances demonstrate how Qubit’s partnership with ORNL and TVA is delivering practical, physics‑grounded analytics for next‑generation grid management.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Engineering phase-frustration-induced flat bands in an aza-triangulene covalent kagome lattice

π-Conjugated covalent organic frameworks provide a versatile molecular scaffold for the realization of designer quantum nanomaterials. Strong electron–electron correlation within these artificial lattices can give rise to exotic phases of matter. Their experimental realization, however, requires precise control over orbital symmetry, charge localization and band dispersion, all arising from the effective hybridization between molecular linkers and nodes. Here we present a modular strategy for constructing diatomic kagome lattices from aza-[3]triangulene nodes, in which a D 3h -symmetric ground state is stabilized through resonance contributions from a cumulenic linker. First-principles density functional theory and scanning tunnelling spectroscopy reveal that the hybridization of a sixfold-degenerate set of edge-localized Wannier functions in the unit cell gives rise to orbital-phase-frustration-induced non-trivial flat bands. These results establish a general design principle for engineering orbital interactions in organic lattices and open a pathway towards programmable covalent-organic-framework-based quantum materials with correlated electronic ground states.

conjugated polymers↗
DOE OSTI2022

Floquet engineering of Kitaev quantum magnets

Abstract In recent years, there has been an intense search for materials realizing the Kitaev quantum spin liquid model. A number of edge-shared compounds with strong spin-orbit coupling, such as RuCl 3 and iridates, have been proposed to realize this model. Nevertheless, an effective spin Hamiltonian derived from the microscopic model relevant to these compounds generally contains terms that are antagonistic toward the quantum spin liquid. This is consistent with the fact that the zero magnetic field ground state of these materials is generally magnetically ordered. It is a pressing issue to identify protocols to drive the system to the limit of the Kitaev quantum spin model. In this work, we propose Floquet engineering of these Kitaev quantum magnets by coupling materials to a circularly polarized laser. We demonstrate that all the magnetic interactions can be tuned in situ by the amplitude and frequency of the laser, hence providing a route to stabilize the Kitaev quantum spin liquid phase.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering Robust Metallic Zero-Mode States in Olympicene Graphene Nanoribbons

Metallic graphene nanoribbons (GNRs) represent a critical component in the toolbox of low-dimensional functional materials technology serving as 1D interconnects capable of both electronic and quantum information transport. The structural constraints imposed by on-surface bottom-up GNR synthesis protocols along with the limited control over orientation and sequence of asymmetric monomer building blocks during the radical step-growth polymerization have plagued the design and assembly of metallic GNRs. Here, we report the regioregular synthesis of GNRs hosting robust metallic states by embedding a symmetric zero-mode (ZM) superlattice along the backbone of a GNR. Tight-binding electronic structure models predict a strong nearest-neighbor electron hopping interaction between adjacent ZM states, resulting in a dispersive metallic band. First-principles density functional theory-local density approximation calculations confirm this prediction, and the robust, metallic ZM band of olympicene GNRs is experimentally corroborated by scanning tunneling spectroscopy.

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

Quantum system engineering for a next-generation search for axion dark matter. Final report

This project pursued two major experimental goals related to the quantum engineering of the ensemble of nuclear spin qubits, as a potential sensing platform for axion-like dark matter: (1) control the fidelity of spin ensemble state preparation, (2) characterize the coherence time of the spin ensemble under different drive conditions. We have successfully achieved these goals. We have experimentally demonstrated control over the polarization of the 207 Pb nuclear spin ensemble, using light-induced transient paramagnetic centers. We have also performed NMR measurements on the 207 Pb spin ensemble in solid ferroelectric PMN-PT, demonstrating the T 2 coherence time of 16.7 ms. We have used this approach to set new experimental limits on the EDM and the gradient interactions of axion-like dark matter in the mass range 162 neV to 166 neV. In addition, having characterized the magnetic resonance properties of the 207 Pb spin ensemble in solid ferroelectric PMN-PT, we have formulated the technical requirements needed to reach the quantum sensitivity limits in a magnetic resonance-based search for axion-like dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Bridge Connectivity Dictates Spin Interactions and Triplet Pair Dynamics in Intramolecular Singlet Fission

Electron spin plays a critical role in determining the structure, dynamics, and reactivities of molecular excited states, including multiexciton processes such as singlet fission. These systems exhibit triplet pair states whose excited state dynamics can be widely tuned through molecular engineering. For example, the electronic coupling between covalently linked chromophores can be readily modulated using chemical bridges to control proximity, quantum interference, or resonance effects. However, less is known about how spin coupling interactions are impacted by chromophore architecture, and how this influences triplet pair recombination dynamics. Here, in this study, we investigate the role of bridge connectivity and chromophore identity in modulating interchromophore exchange and dipolar coupling interactions for a series of pentacene and tetracene dimers bridged by alternant hydrocarbons (phenylene, naphthalene, anthracene). Using both time-resolved electron paramagnetic resonance and transient absorption spectroscopy, we find that the boundedness and recombination pathways of the triplet pair spins are highly sensitive to molecular architecture and chromophore-specific magnetic dipolar interactions. Notably, nominally ferromagnetic and antiferromagnetic eigenstates result in distinct spin state orderings, consistent with predictions from quantum interference-based graphical models. These findings establish new design principles for tuning spin dynamics in iSF materials, with implications for photonic and quantum information applications.

He, Guiying [City Univ. of New York (CUNY), NY (Un↗
DOE OSTI2023

Two-dimensional spin systems in PECVD-grown diamond with tunable density and long coherence for enhanced quantum sensing and simulation

Systems of spins engineered with tunable density and reduced dimensionality enable a number of advancements in quantum sensing and simulation. Defects in diamond, such as nitrogen-vacancy (NV) centers and substitutional nitrogen (P1 centers), are particularly promising solid-state platforms to explore. However, the ability to controllably create coherent, two-dimensional spin systems and characterize their properties, such as density, depth confinement, and coherence, is an outstanding materials challenge. We present a refined approach to engineer dense (≳1 ppm ∙ nm), 2D nitrogen, and NV layers in diamond using delta-doping during plasma-enhanced chemical vapor deposition epitaxial growth. We employ both traditional materials techniques, e.g., secondary ion mass spectrometry, alongside NV spin decoherence-based measurements to characterize the density and dimensionality of the P1 and NV layers. We find P1 densities of 5–10 ppm ∙ nm, NV densities between 1 and 3.5 ppm ∙ nm tuned via electron irradiation dosage, and depth confinement of the spin layer down to 1.6 nm. We also observe high (up to 0.74) ratios of NV to P1 centers and reproducibly long NV coherence times, dominated by dipolar interactions with the engineered P1 and NV spin baths.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Controlling structural phases of Sn through lattice engineering

Topology and superconductivity, two distinct phenomena, offer unique insight into quantum properties and their applications in quantum technologies, spintronics, and sustainable energy technologies. Tin (Sn) plays a pivotal role here as an element because of its two structural phases, α-Sn exhibiting topological characteristics and β-Sn showing superconductivity. Here, we demonstrate precise control of these phases in Sn thin films using molecular beam epitaxy with systematically varied lattice parameters of the buffer layer. The Sn films exhibit either β-Sn or α-Sn phases as the buffer layer's lattice constant varies from 6.10 Å to 6.48 Å, spanning the range from GaSb (like InAs) to InSb. Further, the crystal structures of α- and β-Sn films are characterized by x-ray diffraction and confirmed by Raman spectroscopy and scanning transmission electron microscopy. Atomic force microscopy validates the smooth, continuous surface morphology. Electrical transport measurements further verify the phases: resistance drop near 3.7 K for β-Sn superconductivity and Shubnikov-de Haas oscillations for α-Sn topological characteristics. Density functional theory shows that α-Sn is stable under tensile strain and β-Sn under compressive strain, aligning well with experimental findings. Hence, this study introduces a platform controlling Sn phases through lattice engineering, enabling innovative applications in quantum technologies and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhanced two-dimensional ferromagnetism in van der Waals β-UTe 3 monolayers

The discovery of local-moment magnetism in van der Waals (vdW) semiconductors down to the single-layer limit has led to a paradigm shift in the understanding of two-dimensional (2D) magnets. The incorporation of strong electronic and magnetic correlations in 2D vdW metals remains a sought-after platform to enable control of emergent quantum phases and to achieve more theoretically tractable microscopic models of complex materials. To date, however, there is limited success in the discovery of such metallic vdW platforms, and f-electron monolayers remain out of reach. Here, we demonstrate that strongly correlated β–uranium tritelluride (β-UTe 3 ) can be exfoliated to the monolayer limit. Unexpectedly, β-UTe 3 remains ferromagnetic in this limit with an enhanced ordering temperature of 35 kelvin, a factor of two larger than its bulk counterpart. Our work establishes β-UTe 3 as a materials platform for investigating and modeling correlated behavior in the monolayer limit and opens numerous avenues for quantum control with, e.g., strain engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Toward witnessing molecular exciton entanglement from spectroscopy

Entanglement is a defining feature of quantum mechanics that can be a resource in engineered and natural systems, but measuring entanglement in experiment remains elusive especially for large chemical systems. Most practical approaches require determining and measuring a suitable entanglement witness which provides some level of information about the entanglement structure of the probed state. A fundamental quantity of quantum metrology is the quantum Fisher information (QFI), which is a rigorous witness of multipartite entanglement that can be evaluated from linear response functions for certain states. Here, in this paper, we explore measuring the QFI of molecular exciton states of the first-excitation subspace from spectroscopy. In particular, we utilize the fact that the linear response of a pure state subject to a weak electric field over all possible driving frequencies encodes the variance of the collective dipole moment in the probed state, which is a valid measure for QFI. The systems that are investigated include the molecular dimer, N-site linear aggregate with nearest-neighbor coupling, and N-site circular aggregate, all modeled as a collection of interacting qubits. Our theoretical analysis shows that the variance of the collective dipole moment in the brightest dipole-allowed eigenstate is the maximum QFI. The optical response of a thermally equilibrated state in the first-excitation subspace is also a valid QFI. Theoretical predictions of the measured QFI for realistic linear dye aggregates as a function of temperature and energetic disorder due to static variations of the host matrix show that two- to three-partite entanglement is realizable. This paper lays some groundwork and inspires measurement of multipartite entanglement of molecular excitons with ultrafast pump-probe experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗