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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗
DOE OSTI2025

Coupling of Nondegenerate Topological Modes in Nitrogen Core-Doped Graphene Nanoribbons

Nitrogen core-doping of graphene nanoribbons (GNRs) allows trigonal planar carbon atoms along the backbone of GNRs to be substituted by higher-valency nitrogen atoms. The excess valence electrons are injected into the π-orbital system of the GNR, thereby changing not only its electronic occupation but also its topological properties. We have observed this topological change by synthesizing dilute nitrogen core-doped armchair GNRs with a width of five atoms (N 2 -5-AGNRs). The incorporation of pairs of trigonal planar nitrogen atoms results in the emergence of topological boundary states at the interface between doped and undoped segments of the GNR. These topological boundary states are offset in energy by approximately ΔE = 300 meV relative to the topological end states at the termini of finite 5-AGNRs. Scanning tunneling microscopy (STM) and spectroscopy (STS) reveal that for finite GNRs the two types of topological states can interact through a linear combination of orbitals, resulting in a pair of asymmetric hybridized states. This behavior is captured by an effective Hamiltonian of nondegenerate diatomic molecules, where the analogous interatomic hybridization interaction strength is tuned by the distance between GNR topological modes.

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

Emergence of Moiré Dirac Fermions at the Interface of Topological and 2D Magnetic Insulators

Dirac Fermions on the surface of the topological insulator are spin-momentum locked and topologically protected, making them interesting for spintronics and quantum computing applications. When in proximity to magnetism and superconductivity, these electronic states could result in quantum anomalous Hall effect and Majorana Fermions, respectively. An even more dramatic enrichment of the topological insulators’ physics is expected for moiré superlattices, where, analogously to the twisted graphene layers, electronic correlations could be strongly enhanced, a task previously notoriously difficult to achieve in topological matter. Until now, the experimental confirmation of such moiré properties has remained elusive. Here, we grow the two-dimensional van der Waals magnetic insulators FeX 2 (where X = Cl or Br) on top of the topological insulator Bi 2 Se 3 and establish a moiré superlattice formation at the interface. By means of scanning tunneling microscopy and angle-resolved photoemission spectroscopy, we investigate the electronic properties of the formed moiré superlattice and demonstrate its tunability via the film choice. We reveal replicated Dirac cones and focus on their intersections, which, in the case of FeBr 2 /Bi 2 Se 3 , occur below the Fermi level. We identify the signatures of small gaps at the intersections around the M̅ i points that we attribute to the moiré interaction. These findings point to the specific type of magnetic moiré potential that breaks the time-reversal symmetry at these points but not at the $\barΓ$ point. Our observations provide an intriguing scenario of correlated topological phases induced by moiré superlattice that may result in topological superconductivity, high Chern number phases, and exotic noncollinear magnetic textures.

2D magnets↗
DOE OSTI2025

Topological excitonic insulator with tunable momentum order

Correlated topological materials often maintain a delicate balance among physical symmetries. Many topological orders are symmetry protected, whereas most correlated phenomena arise from spontaneous symmetry breaking. Cases where symmetry breaking induces a non-trivial topological phase are rare. Here we demonstrate the presence of two such phases in Ta 2 Pd 3 Te 5 , where Coulomb interactions form excitons that condense below 100 K, one with zero and the other with finite momentum. We observed a full spectral bulk gap, which stems from exciton condensation. This topological excitonic insulator state spontaneously breaks mirror symmetries but involves a weak structural coupling. Scanning tunnelling microscopy shows gapless boundary modes in the bulk insulating phase. Their magnetic field response, together with theoretical modelling, indicates a topological origin. These observations establish Ta 2 Pd 3 Te 5 as a topological excitonic insulator in a three-dimensional crystal. Finally, our results manifest a unique sequence of topological exciton condensations in a bulk crystal, offering exciting opportunities to study critical behaviour and excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Overcoming the challenges of accessing topological hallmarks in Sb(112)

Sb is topologically non-trivial and semi-metallic, but differs from many topological semi-metals because of its continuous band gap. By measuring its (112) surface using angle- and spin-resolved photoemission spectroscopy, Sb(112) was shown to have 1D spin-polarised surface states resembling those on vicinal Bi surfaces and many topological insulators and topological semi-metals. The shape and spin-polarisation of the measured features and the calculated bands agreed. However, the measured features had a slightly steeper energy dispersion and different Fermi-momenta than the calculated bands. Both theoretical and experimental methods were necessary when determining the topology of Sb(112). The presence of projected bulk states near the Fermi-level and varying surface localisation of the electronic states meant it was challenging to deduce the topology of Sb(112) from the number of bands crossing the Fermi-level or a continuous contour in the bulk band gap. Ultimately, the calculations and measurements suggest that there are topological surface states on the Sb(112) surface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

LLM-Based Adaptive Distribution Voltage Regulation Under Frequent Topology Changes: An In-Context MPC Framework

This paper proposes a large language model (LLM) based adaptive inverter control for distribution voltage regulation under frequent topology changes. We leverage the ability of the LLM to perform in-context learning and create a topology-adaptive surrogate model for power flow calculation. The surrogate model is then integrated with a long short-term memory-based load forecaster and a model predictive control (MPC) scheme to achieve the optimal inverter control that adapts to frequent topology changes. Unlike many existing works that assume fixed-topology grids or require the knowledge of all possible topologies when training a model, the proposed in-context MPC method tackles the distribution voltage control problem under various topologies and adapts to unknown topologies with limited data requirement for fine-tuning. The effectiveness of our method is demonstrated on a modified IEEE 123-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

A Practical Solver for Scalar Data Topological Simplification

This paper presents a practical approach for the optimization of topological simplification, a central pre-processing step for the analysis and visualization of scalar data. Given an input scalar field f and a set of “signal” persistence pairs to maintain, our approaches produces an output field g that is close to f and which optimizes (i) the cancellation of “non-signal” pairs, while (ii) preserving the “signal” pairs. In contrast to pre-existing simplification algorithms, our approach is not restricted to persistence pairs involving extrema and can thus address a larger class of topological features, in particular saddle pairs in three-dimensional scalar data. Our approach leverages recent generic persistence optimization frameworks and extends them with tailored accelerations specific to the problem of topological simplification. Extensive experiments report substantial accelerations over these frameworks, thereby making topological simplification optimization practical for real-life datasets. Our approach enables a direct visualization and analysis of the topologically simplified data, e.g., via isosurfaces of simplified topology (fewer components and handles). We apply our approach to the extraction of prominent filament structures in three-dimensional data. Specifically, we show that our pre-simplification of the data leads to practical improvements over standard topological techniques for removing filament loops. Here, we also show how our approach can be used to repair genus defects in surface processing. Finally, we provide a C++ implementation for reproducibility purposes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Bulk‐Boundary Correspondence of Semimetal Ru 3 Sn 7 and Topological Surface States on Chemically Realistic Terminations

Ru 3 Sn 7 is experimentally demonstrated as an efficient catalyst, with potential utilization of topological surface states for hydrogen evolution reaction. Despite its promising catalytic performance, the topological nature of Ru 3 Sn 7 remains uncertain. Particularly, the bulk-boundary correspondence has not yet been established, hence hindering a rigorous justification of its topologically-protected surface states. In this work, the bulk topology of Ru 3 Sn 7 is detailed using first-principles calculations and the topological quantum chemistry formalism. Ru3Sn7 turns out to be an enforced semimetal possessing symmetry-protected crossings within a set of bands near the Fermi level, which are enforced and prescribed by the violations of symmetry-prescribed compatibility relations. Moreover, the surface states and the associated origin from the same set of entangled bands are identified, thereby establishing the bulk-boundary correspondence. To evaluate the effects of chemical modifications, the response of topological surface states to various surface terminations, stoichiometry, and oxidation is examined. The surface structures are globally optimized, and the phase diagrams for various experimental conditions are built. It is shown that, due to changes in the local chemical environment, the original surface states are significantly altered. Modified surface bands can be observed near the Fermi level on surface terminations that preserve the C 4v symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Uniform Diffusion of Cooper Pairing Mediated by Hole Carriers in Topological Sb 2 Te 3 /Nb

Spin-helical Dirac Fermions at a doped topological insulator’s boundaries can support Majorana quasiparticles when coupled with s-wave superconductors, but in n-doped systems, the requisite induced Cooper pairing in topological states is often buried at heterointerfaces or complicated by degenerate coupling with bulk conduction carriers. Rarely probed are p-doped topological structures with nondegenerate Dirac and bulk valence bands at the Fermi level, which may foster long-range superconductivity without sacrificing Majorana physics. Using ultrahigh-resolution photoemission, we report proximity pairing with a large decay length in p-doped topological Sb 2 Te 3 on superconducting Nb. Despite no momentum-space degeneracy, the topological and bulk states of Sb 2 Te 3 /Nb exhibit the same isotropic superconducting gaps at low temperatures. Furthermore, our results unify principles for realizing accessible pairing in Dirac Fermions relevant to topological superconductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Graviton topology

Over the past three decades, it has been shown that discrete and continuous media can support topologically nontrivial waves. Recently, it was shown that the same is true of the vacuum, in particular, right (R) and left (L) circularly polarized photons are topologically nontrivial. Here, we study the topology of another class of massless particles, namely gravitons. We show that the collection of all gravitons forms a topologically trivial vector bundle over the lightcone, allowing us to construct a globally smooth basis for gravitons. The graviton bundle also has a natural geometric splitting into two topologically nontrivial subbundles, consisting of the R and L gravitons. The R and L gravitons are unitary irreducible bundle representations of the Poincaré group, and are thus elementary particles; their topology is characterized by the Chern numbers ∓4. This nontrivial topology obstructs the splitting of graviton angular momentum into spin and orbital angular momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Quantitative measure of topological protection in Floquet systems through the spectral localizer

The standard understanding of topological protection from band theory is that a system's topology cannot change without first closing the bulk band gap. However, in Floquet systems, this typical definition of topological protection is one step removed from the experimentally accessible system parameters, as the relationship between the disorder in a system's instantaneous Hamiltonian and its Floquet Hamiltonian that defines its topology is not straightforward. Here, in this study, we demonstrate that the spectral localizer framework for classifying material topology can be applied to Floquet systems using solely the Floquet Hamiltonian and prove that its associated measure of topological protection can be understood in terms of the disorder across the system's instantaneous Hamiltonians. As such, we have derived a quantitative bound on a Floquet system's topological protection in terms of the instantaneous system. Moreover, we show the utility of these bounds in both ordinary and anomalous Floquet Chern insulators.

Wong, Stephan Manua [Sandia National Laboratories ↗
DOE OSTI2025

Semiconductor-compatible topological digital alloys

Recently, GeSn alloys have attracted much interest for direct-gap infrared photonics and as potential topological materials which are compatible with the semiconductor industry. However, for photonics, the high-Sn content required leads to low detectivity, associated with poor material quality, and the (>35 %) Sn required for topological properties have been out of reach experimentally. Here, we demonstrate that by patterning the Sn distribution within Ge, the electronic properties have a far greater tunability than is possible with the random alloy. For the GeSn δ-digital alloy (DA) formed by confining Sn atoms in atomic layer(s) along the [111] direction of Ge, we show that ∼ 10 % Sn can lead to a triple-point semimetal. These findings are understood in terms of Sn ordering causing spatial separation of Sn and Ge band edges, leading to band inversion. This mechanism can also lead to a weak topological insulator, Weyl semimetal, and enables tunable direct bandgaps down to 2 meV, covering the entire infrared range. This DA induced topological properties are also identified in compound semiconductors, such as InAs 1-x Sb x , showing the general applicability of the DA design for realizing topological properties on conventional semiconductor platforms. Furthermore, our findings not only point to a new class of currently unexplored topological systems accessible by epitaxy, but also establish the promise of low-Sn GeSn DAs for application as infrared laser diodes and photodetectors in Si photonic integrated circuits and infrared image sensors.

3D topological semimetal↗
DOE OSTI2025

Topological Surface Superconductivity via Josephson Coupling in Bi 2 Te 3 /Nb

Since discoveries of protected conducting surface states, topological superconducting qubits have enchanted quantum science as prime elements in future fault-tolerant devices, particularly those based on Josephson junctions containing topological insulators. Still, Josephson coupling is often eclipsed by other proximity effects that can dilute topological superconducting pairing at the nontrivial insulator’s boundaries. Here, however, using an ultra-low-temperature scanning tunneling microscope, we detect Josephson physics in topological Bi 2 Te 3 films on superconducting Nb. At low temperatures, a previously undetected proximity gap varies little with Bi 2 Te 3 thickness and the density of states exhibits normal and superconducting components. Such observations are rationalized via Josephson pair tunneling through the (nearly) insulating Bi 2 Te 3 bulk, creating a rare, pure topological superconducting sheet. Our findings establish routes toward accessible topological superconducting states in qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Interface‐Induced Stability of Nontrivial Topological Spin Textures: Unveiling Room‐Temperature Hopfions and Skyrmions

Topological spin configurations, such as soliton-like spin texture and Dirac electron assemblies, have recently emerged in fundamental science and technology. Achieving stable topological spin textures at room temperature is crucial for their use as long-range information carriers. However, their creation and manipulation are hindered by multi-step field training and competing interactions. Thus, a spontaneous ground state for multidimensional topological spin textures is desirable, with skyrmions forming swirling, hedgehog-like spin structures in two dimensions and hopfions as their twisted 3D counterparts. Here, the first observation of robust and reproducible topological spin textures of hopfions and skyrmions observed at room temperature and in zero magnetic field is reported, which are stabilized by geometric confinement and protected by interfacial magnetism in a ferromagnet/topological insulator/ferromagnet trilayer heterostructure. These skyrmion-hopfion configurations are directly observed at room temperature with Lorenz transmission electron microscopy. Using micromagnetic modeling, the experimental observations of hopfion-skyrmion assemblies are reproduced. This model reveals a complete picture of how spontaneously organized skyrmion lattices encircled by hopfion rings are controlled by surface electrons, uniaxial anisotropy, and Dzyaloshinskii-Moriya interaction. This study provides evidence that topological chiral spin textures can facilitate the development of magnetic topological carriers, paving the way for ultralow-power and high-density information processing.

hopfions↗
DOE OSTI2026

Topology-Informed Design Rules for Deconstructable Thermoset Copolymer Networks

Existing models of thermoset deconstruction facilitated by incorporating cleavable comonomers rely on a mean-field reverse gel point paradigm, which predicts network dissolution once cleavable bonds reach a critical stoichiometric threshold, but does not account for where those bonds reside within the network architecture. Using reactive coarse-grained molecular dynamics simulations coupled with graph-theoretic analysis, we extend this stoichiometric picture to show that deconstructability is governed by the curing-imprinted network topology rather than stoichiometry alone. This topological organization is hierarchical: at the local scale, the elastic effectiveness of cross-link junctions determines which cross-links constitute the load-bearing scaffold; at the mesoscale, the cross-linking rate kinetically templates that scaffold into topologically modular communities─densely cross-linked clusters connected by sparse bridging strands that sustain network connectivity. Using betweenness centrality to identify nodes that disproportionately lie on intercommunity shortest paths, we demonstrate that effective deconstruction of the network into macromolecular fragments requires cleavable comonomers to intercept these high-centrality bridging strands. We further find that under uniform, disassortative comonomer incorporation, this topological requirement provides a mechanistic basis for extending the reverse gel point to incorporate network topology. We also show that modularity imposes a fundamental limit on fragment uniformity that persists even when the centrality requirement is met. Finally, we demonstrate that chain stiffness provides a nearly independent lever to suppress mechanically redundant cross-links and raise the glass transition temperature without significantly altering the deconstruction outcome. Together, these findings reframe the thermoset design space around network topology and provide actionable guidelines for engineering thermoset copolymers with predictable deconstructability and targeted thermomechanical performance.

coarse-grained molecular dynamics↗
DOE OSTI2025

Correlation-driven topological band inversion in VSe 2

Recent spectroscopic studies have uncovered topological surface states and band inversion in 1⁢T−VSe 2 , positioning this material at the intersection of correlated electron physics and nontrivial band topology. While previous interpretations attribute these features to surface strain, the microscopic origin of the topological band structure remains unresolved. Here, we present an alternative explanation based on electronic correlations, showing that a negative effective Hubbard interaction (𝑈 eff < 0) applied to the Se 4p orbitals can reproduce the experimentally observed band inversion at both the Γ and 𝑀 points. Using density functional theory (DFT) calculations with orbital-selective interactions, we demonstrate that this approach naturally gives rise to topological surface states without invoking structural distortions. In conclusion, our results highlight the crucial role of ligand orbital correlations in shaping band topology and provide a novel framework for understanding and engineering topological phases in chalcogenide-based quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fermiology and transport properties of the candidate topological crystalline insulator SrAg 4 ⁢Sb 2

Compared to time-reversal symmetry-protected ℤ 2 topological insulators and Dirac/Weyl semimetals, there are significantly fewer candidates for topological crystalline insulators. SrAg 4 ⁢Sb 2 is predicted to exhibit topological crystalline insulator behavior when considering spin-orbit coupling. In this study, we systematically investigate single crystals of SrAg 4 ⁢Sb 2 using electrical transport and magnetic torque measurements, along with first-principles calculations. Our transport data reveals its compensated semimetal nature with a magnetoresistance up to around 700% at 2 K and 9 T. Analysis of de Haas–van Alphen oscillations uncovers a Fermi surface consisting of three distinct Fermi pockets with light effective masses. Comparison between the three-dimensional fermiology obtained from our oscillation data and the first-principles calculations demonstrates excellent agreement. This confirms the accuracy of the calculations, which indicate a band inversion centered at the 𝑇 point and identify the existence of nontrivial tube and needle hole Fermi pockets at Γ, alongside one trivial diamond electron pocket at the 𝐹 point in the Brillouin zone. Furthermore, symmetry and topology analysis results in two potential sets of topological invariants, suggesting the emergence of two-dimensional gapless Dirac surface states either on the 𝑎⁢𝑏 planes or on both the 𝑎⁢𝑏 planes and mirror planes, protected by crystal symmetries. Therefore, SrAg 4 ⁢Sb 2 emerges as a promising candidate topological crystalline insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Symmetry-Protected Moiré Band Engineering and Enhanced Electron–Phonon Coupling in Xe/Bi 2 Se 3 Superlattices: Path to Topological Superconductivity

Observation of superconductivity, magnetism, and correlated insulating phases driven by the moiré potential in twisted graphene bilayer has opened the exciting new field of “twistronics”. Even richer physics is expected if moiré superlattice could be generated on topological insulators; however, until now, experimental studies have been scarce. Here, we demonstrate topological moirés generated by adsorbing a monolayer of noble gas on a topological insulator. By angle-resolved photoemission spectroscopy, we show that the moiré potential replicates the topological surface state and affects it in a way fundamentally different from the trivial states. Replicated Dirac cones generally avoid crossings, except at the time-reversal invariant momenta that remain gapless. This creates van Hove singularities at the moiré Brillouin zone corners, providing the mechanism of enhancing correlations. Indeed, we observe a strong enhancement of the electron–phonon coupling strength that, if properly tuned, might lead to topological superconductivity and Majorana Fermions.

36 MATERIALS SCIENCE↗