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DOE OSTI2025

Berry Curvature and Spin-One Color Superconductivity

Here, we explore the interplay between Berry curvature and topological properties in single-flavor color superconductors, where quarks form spin-one Cooper pairs. By deriving a new relation, we connect the topological nodal structure of the gap function in momentum space to the (non-Abelian) Berry flux associated with paired quarks. This generalizes the early work by Li and Haldane [Phys. Rev. Lett. 120, 067003 (2018)] to systems with additional internal quantum numbers, such as color. In the ultrarelativistic limit, we uncover rich topological structures driven by the interplay of spin, chirality, and color. Specifically, we identify chirality-induced topological nodes in the transverse (opposite chirality pairing) polar and 𝐴 phases. In contrast, the color-spin-locking phase lacks these nodes due to a nontrivial color Berry flux, which in turn induces gapless excitations with total Berry monopole charges of ±3/2—differing from conventional Weyl fermions. Our findings can be potentially extended to other fermionic systems carrying additional internal degrees of freedom.

Berry curvature↗

DOE OSTI2025

La 2 ⁢O 3 ⁢Mn 2 ⁢Se 2 : A correlated insulating layered d-wave altermagnet

Altermagnets represent a new class of magnetic phases without net magnetization, invariant under a combination of rotation and time reversal. Unlike conventional collinear antiferromagnets (AFM), altermagnets could lead to new correlated states and important material properties deriving from their nonrelativistic spin-split band structure. Indeed, they serve as the magnetic analogue of unconventional superconductors and can yield spin-polarized electrical currents in the absence of external magnetic fields, making them promising candidates for next-generation spintronics. Here, we report altermagnetism in the correlated insulator, magnetically ordered tetragonal oxychalcogenide, L⁢a 2 ⁢O 3⁢ M⁢n 2 ⁢S⁢e 2 . Symmetry analysis reveals a 𝑑 𝑥 2 −𝑦 2 -wave-like spin-momentum locking arising from the M⁢n 2 ⁢O Lieb lattice, supported by density functional theory (DFT) calculations. Magnetic measurements confirm the AFM transition below ∼166K while neutron pair distribution function analysis reveals a 2D short-range magnetic order that persists above the Néel temperature. Single crystals are grown and characterized using x-ray diffraction, optical and electron microscopy, and micro-Raman spectroscopy to confirm the crystal structure, stoichiometry, and uniformity. Furthermore, our findings establish L⁢a 2⁢ O 3 ⁢M⁢n 2⁢ S⁢e 2 as a model altermagnetic system realized on a Lieb lattice.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Intertwined charge and spin density waves in a topological kagome material

Using neutrons and x rays we show the topological kagome antiferromagnet Mn 3 Sn for T < 285 K forms a homogeneous spin and charge ordered state comprising a longitudinally polarized spin density wave with wave vector k β = k β c ̂ , a helical modulated version of the room temperature antichiral magnetic order with k χ = k χ c ̂ , and charge density waves with wave vectors 2 k β , 2 k χ , and k β + k χ . Though k χ and k β coincide for 200 K < T < 230 K , they exhibit distinct continuous T dependencies before locking to commensurate values of k β = 1 12 c * and k χ = 5 48 c * at low T . Density functional theory indicates this complex modulated state may be associated with the nesting of Fermi surfaces from correlated flat kagome bands, which host Weyl nodes that are annihilated as it forms. Published by the American Physical Society 2024

Chen, Y. (ORCID:0000000177169179)↗

DOE OSTI2025

Scattering neutrinos, spin models, and permutations

We consider a class of Heisenberg all-to-all coupled spin models inspired by neutrino interactions in a supernova with N degrees of freedom. These models are characterized by a coupling matrix that is relatively simple in the sense that there are only a few, relative to N , nontrivial eigenvalues, in distinction to the classic Heisenberg spin-glass models, leading to distinct behavior in both the high-temperature and low-temperature regimes. When the momenta of the neutrinos are uniform and random in directions, we can calculate the large- N partition function for the quantum Heisenberg model. In particular, the high-temperature partition function predicts a non-Gaussian density of states, providing interesting counterexamples showing the limits of general theorems on the density of states for quantum spin models. We can repeat the same argument for classical Heisenberg models, also known as rotor models, and we find the high-temperature expansion is completely controlled by the eigenvalues of the coupling matrix, and again predicts non-Gaussian behavior for the density of states as long as the number of eigenvalues does not scale linearly with N . Indeed, we derive the amusing fact that these partition functions are essentially the generating function for counting permutations in the high-temperature regime. Finally, for the case relevant to neutrinos in a supernova, we identify the low-temperature phase as a unique state with the direction of the momenta of the neutrino dictating its coherent state in flavor-space, a state we dub the “flavor-momentum-locked” state. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Atomic-Scale Tracking of Topological Defect Motion and Incommensurate Charge Order Melting

Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural distortions. Incommensurate charge order is readily stabilized in manganese oxides, where it is associated with anomalous electronic and magnetic properties, but its nanoscale structural inhomogeneity complicates precise characterization and understanding of its relationship with competing phases. Leveraging atomic-resolution variable-temperature cryogenic scanning transmission electron microscopy, we characterize the thermal evolution of charge order as it transforms from its ground state in a model manganite system. We find that mobile networks of discommensurations and dislocations generate phase inhomogeneity and induce global incommensurability in an otherwise lattice-locked modulation. Driving the order to melt at high temperatures, the discommensuration density grows, and regions of order locally decouple from the lattice periodicity. Published by the American Physical Society 2025

Schnitzer, Noah (ORCID:0000000210421146)↗

DOE OSTI2025

XY-like incommensurate magnetic order in Ce 2 ⁢SnS 5

We report the synthesis of single crystals of Ce 2 ⁢SnS 5 through a two-stage chemical vapor transport method. The Ce 2 ⁢SnS 5 system is a member of the orthorhombic Pbam (No. 55) space group and realizes a distorted trigonal tricapped prism (TTP) crystal field around each cerium site. We characterized the sample through orientation-dependent magnetization and heat capacity measurements to probe the magnetic anisotropy in the system characteristic of XY-like anisotropic Heisenberg model behavior. Ce 2 ⁢SnS 5 furthermore enters a zero-field ordered phase under 𝑇 𝑁 =2.4 K; powder neutron diffraction measurements reveal incommensurate magnetic order near 𝑇 𝑁 . Furthermore, the system then locks into a commensurate, two-𝑞 magnetic structure below approximately 1.2 K. This commensurate structure belongs to the Shubnikov group 𝑃⁢𝑏′⁢𝑎′⁢𝑚′ ⁡(MSG 55.359) and realizes the propagation vectors $\overrightarrow{𝑞}$ = (1/3, 0, 0) and $\overrightarrow{𝑞}$ = (0, 0, 0).

Antiferromagnetism↗

DOE OSTI2025

Oscillate and renormalize: Fast phonons reshape the Kondo effect in flat-band systems

Here, we examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency 𝜔 0 ≪ 𝑈/2, the onsite Coulomb scale 𝑈/2), we demonstrate analytically that the expected phonon-mediated reduction of interactions is completely suppressed, even in the strong-coupling regime. This suppression arises from the oscillator's inability to respond to rapid charge fluctuations, manifested as a compensation effect between the polaronic cloud and the excited-state phonons associated with valence fluctuations. We identify a frozen mixed valence phase, above a threshold dimensionless electron-phonon coupling 𝛼* when the phonons are slow, where the static phonon cloud locks the impurity into specific valence configurations, potentially explaining the puzzling coexistence of mixed valence behavior and insulating properties in materials like rust. Conversely, when the phonon is fast (𝜔 0 ≳ 𝑈/2), the system exhibits conventional polaronic behavior with renormalized onsite interactions effectively 𝑈 eff due to phonon-mediated attraction, with additional satellite features in the local spectral function due to phonon excitations. Using numerical renormalization group calculations, a fully dynamic renormalization technique, we confirm these behaviors in both regimes. These findings have important implications for strongly correlated systems where phonon energy scales may be comparable to the Coulomb scale, such as in twisted bilayer graphene, necessitating careful consideration of interaction renormalizations in theoretical models.

Anderson impurity model↗

DOE OSTI2025

Subharmonic Shapiro steps in depinning dynamics of a two-dimensional solid dusty plasma modulated by one-dimensional nonlinear deformed periodic substrates

Langevin dynamical simulations are performed to investigate the depinning dynamics of a two-dimensional (2D) solid dusty plasma, which is modulated by one-dimensional (1D) nonlinear deformed periodic substrates, and also driven by the combination of the DC and AC forces. As the DC driving force increases gradually, pronounced subharmonic and harmonic Shapiro steps are discovered under the combined modulation of the deformed substrate and the external AC drive. Here, these observed subharmonic and harmonic Shapiro steps are attributed to the dynamic mode locking. The data analysis results indicate that the nonlinear deformed substrate strongly influences these subharmonic Shapiro steps, which can be accurately diagnosed using the fraction of sixfold coordinated particles. Furthermore, the diagnostic of the kinetic temperature clearly indicates the difference between harmonic and subharmonic Shapiro steps, i.e., the particle motion is slightly less synchronized at subharmonic Shapiro steps, caused by the unstable locations of the deformed substrate.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Crystal structure of vancomycin bound to the resistance determinant D -alanine- D -serine

Vancomycin is a glycopeptide antibiotic that for decades has been a mainstay of treatment for persistent bacterial infections. However, the spread of antibiotic resistance threatens its continued utility. In particular, vancomycin-resistant enterococci (VRE) have become a pressing clinical challenge. Vancomycin acts by binding and sequestering the intermediate Lipid II in cell-wall biosynthesis, specifically recognizing a D-alanine-D-alanine dipeptide motif within the Lipid II molecule. VRE achieve resistance by remodeling this motif to either D-alanine-D-lactate or D-alanine-D-serine; the former substitution essentially abolishes recognition by vancomycin of Lipid II, whereas the latter reduces the affinity of the antibiotic by roughly one order of magnitude. The complex of vancomycin bound to D-alanine-D-serine has been crystallized, and its 1.20 Å X-ray crystal structure is presented here. This structure reveals that the D-alanine-D-serine ligand is bound in essentially the same position and same pose as the native D-alanine-D-alanine ligand. The serine-containing ligand appears to be slightly too large to be comfortably accommodated in this way, suggesting one possible contribution to the reduced binding affinity. In addition, two flexible hydroxyl groups – one from the serine side chain of the ligand, and the other from a glucose sugar on the antibiotic – are locked into single conformations in the complex, which is likely to contribute an unfavorable entropic component to the recognition of the serine-containing ligand.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Atomic structure and formation mechanism of a newly discovered charge density wave in the m = 2 monophosphate tungsten bronze

The m = 2 member of the monophosphate tungsten bronze family had been thought to be the only one without an electronic instability at low temperature. In this paper, we report the discovery of a charge density wave phase in this compound, with a transition temperature of 290 K and an incommensurate modulation vector q = 0.245b* + ξc*, which reaches a lock-in with a commensurate vector at 130 K. The presence of this new phase is confirmed by diffraction and resistivity measurements. Pre-transitional dynamics are investigated using diffuse and inelastic X-ray scattering, revealing a clear Kohn anomaly. We analyze both structural and electronic contributions to the phase transition, providing a comprehensive picture of the mechanism driving this newly identified instability.

Minelli, Arianna [ORNL] (ORCID:0000000283103712)↗

DOE OSTI2025

A Secondary Control Framework for Microgrid Interoperability With Vendor-Agnostic Grid-Forming Units: Design, Implementation, and Demonstration via Large-Scale Hardware Setup

The reliable operation of islanded microgrids increasingly depends on secondary controls that restore voltage and frequency to nominal values and ensure accurate active and reactive power sharing. Centralized secondary control architectures achieve high accuracy through global coordination at the cost of single-point failures and limited scalability compared with decentralized/distributed approaches. But a critical gap remains in addressing the interoperability and vendor-agnostic operation of secondary controls in real-world microgrids where heterogeneous diesel generator(s) and grid-forming (GFM) inverter(s) from multiple manufacturers always coexist. Practical and vendor-agnostic interoperability guidelines for the secondary control architecture of microgrids with multiple GFM units have not yet been developed; therefore, this paper proposes an interoperable and vendor-agnostic secondary control framework that operates seamlessly across GFM units from different vendors without relying on proprietary controls and protocols, hardware, or lock-ins. The framework leverages existing communication infrastructures (e.g., Modbus TCP/IP) to enable cost-effective deployment while addressing practical challenges, such as packet loss and quantization errors. Mitigation strategies-including data averaging, situational event-triggered control, and finite-iteration execution-are introduced to enhance reliability under real-world conditions. A generalized modeling and design framework is also presented, supported by robustness analysis to demonstrate independence from vendor-specific implementations. The proposed framework is validated through a large-scale hardware demonstration using a 3-$\phi$, 480-V, 60-Hz, 713-kVA laboratory hardware microgrid involving a heterogeneous diesel generator and multiple GFM inverters, showcasing its effectiveness in achieving stable voltage and frequency restoration and accurate power sharing under practical constraints. The results highlight the framework's potential as a scalable and practical solution for next-generation microgrids requiring openness, standard framework, and interoperability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

An Ultra-Fast Inrush-Current-Free Startup Method for Grid-tie Inverter without Voltage Sensors

This paper proposes an ultra-fast inrush-currentfree startup method for grid-tie inverters without voltage sensors and phase-locked loop (PLL). Traditionally, the grid-tie inverter needs the voltage measured from points of common couplings (PCC) to generate the phase angle via PLL for inverter pulsewidth- modulation (PWM) signals. The startup procedure is slow and inrush current occurs if the initial PWM does not match the unknown grid voltage well. This paper proposes a startup method that only uses measured inverter ac currents to generate the initial PWM by controlling the current to zero. The generated PWM pattern can be used to reproduce the real grid voltage regardless of the grid impedance. The zero-crossing points of the grid voltage are detected and then used for grid synchronization. The proposed startup procedure only needs a few cycles (16.67 ms/cycle) to reliably synchronize the inverter to the grid without any inrush current. Simulation and experimental results are presented to verify the effectiveness of this control strategy.

He, Yuchen↗

DOE OSTI2020

Kensor: Coordinated Intelligence from Co-Located Sensors

Internet of Things (IoT) is becoming more pervasive in many installations, including homes, manufacturing plants, and industrial facilities of all kinds. The data that IoT produces is a reflection of usual behavior such as daily routines and scheduled tasks, but also from unexpected behavior due to unintentional or undesirable abnormalities. Here, we focus on achieving coordinated intelligence about normal and abnormal phenomena from multiple sensors that are geographically colocated in close proximity, monitoring and controlling a set of co-located devices. Given a set of co-located sensors, we seek an intelligent approach that would automatically determine the “normal” patterns of behaviors among the correlated sensors. After normal behavior is extracted, later monitoring should detect any deviant variations over time. An example application is an entry monitoring and alert system for facilities such as nuclear reactors, where badge readers, door locks, lights, weight trackers and other co-located sensors at the entry point are collectively tracked. To address this problem, we identify the possible solution approach that can be used to solve its different variants. The implemented model is developed as a combination of rules and Markov Chain methods.

Kotevska, Olivera↗

DOE OSTI2024

Custom Accessors: Enabling Scalable Data Ingestion, (Re-)Organization, and Analysis on Distributed Systems

The emerging class of high velocity and high volume data analytic workflows comprise interwoven data ingestion, organization, and processing stages, with ingestion and organization steps often contributing comparable or even higher computational costs than actual processing steps. Since complex workflows consist of a variety of phases that view and use data differently, being able to construct efficient, scalable, distributed data structures (arrays, vectors, sets, maps, and multi-maps) is essential and requires custom methods to extend and shrink containers, analyze and position data, and, maintain globallyconsistent meta-data. In this paper, we propose a novel datastructure access paradigm based on the concept of Accessors. At a high level, accessors are customizable callable objects that can modify the behavior of insert, read, update, and delete operations for distributed containers while preserving atomicity guarantees. Accessors provide a very clean and natural way to implement a variety of programming patterns, e.g., conditional insertion/deletion and cascading computations, which would be otherwise hard (or even impossible) to express in parallel and distributed settings without using locks. We demonstrate the practicality and usefulness of our approach with two representative use cases and study the performance of these applications on a distributed High-Performance Computing system. Our analysis highlights that our proposed abstraction allows for an effective overlapping and concurrent execution of different workflow steps (e.g., data ingestion and analysis), which in a conventional analytics pipeline would execute sequentially, contributing cumulatively to the overall latency.

Castellana, Vito G. [BATTELLE (PACIFIC NW LAB)] (O↗

DOE OSTI2022

Hvac: Removing I/O Bottleneck for Large-Scale Deep Learning Applications

Scientific communities are increasingly adopting deep learning (DL) models in their applications to accelerate scientific discovery processes. However, with rapid growth in the computing capabilities of HPC supercomputers, large-scale DL applications have to spend a significant portion of training time performing I/O to a parallel storage system. Previous research works have investigated optimization techniques such as prefetching and caching. Unfortunately, there exist non-trivial challenges to adopting the existing solutions on HPC supercomputers for large-scale DL training applications, which include non-performance and/or failures at extreme scale, lack of portability and generality in design, complex deployment methodology, and being limited to a specific application or dataset. To address these challenges, we propose High-Velocity AI Cache (HVAC), a distributed read-cache layer that targets and fully exploits the node-local storage or near node-local storage technology. HVAC seamlessly accelerates read I/O by aggregating node-local or near node-local storage, avoiding metadata lookups and file locking while preserving portability in the application code. We deploy and evaluate HVAC on 1,024 nodes (with over 6000 NVIDIA V100 GPUS) of the Summit supercomputer. In particular, we evaluate the scalability, efficiency, accuracy, and load distribution of HVAC compared to GPFS and XFS-on-NVMe. With four different DL applications, we observe an average 25 % performance improvement atop GPFS and 9% drop against XFS-on-NVMe, which scale linearly and are considered the performance upper bound. We envision HVAC as an important caching library for upcoming HPC supercomputers such as Frontier.

Khan, Awais↗

DOE OSTI2022

Grid-Forming Control Using TAPAS Software Defined Inverters

Here, this paper discusses the design and hardware implementation aspects of state-feedback primary control for grid forming inverters. The primary control consists of two tracking control laws: voltage tracking and frequency/angle tracking. The voltage tracking control requires voltage and current at the inverter's switch terminal (i.e. before the filter). The fundamental component of switch terminal voltage is estimated using the inverter's average model while the switch terminal current is estimated using an observer, thus obviating the need for sensors at the switch terminals. The measurements of frequency and angle(s) needed for frequency/angle tracking are noisy due to measurement noises and inherent delays in the phase locked loop (PLL). Conditioning of these feedback signals is discussed in detail, and the corresponding changes in the control design are provided to better attenuate the impact of noises. Effectiveness of the proposed design and implementation is demonstrated by the implementation results from TAPAS software defined inverter (SDI).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Impedance Modeling and Stability Analysis for the PLL-less and Voltage Sensor-less Grid-tied Converters

The newly developed control methodology, which omits the phase-locked loop (PLL) and voltage sensor, has garnered considerable attention for its rapid dynamic response and reduced hardware expenses. Nonetheless, its stability concerns have not yet been thoroughly scrutinized. In this paper, the impedance modeling of the PLL-less and voltage sensorless control strategy has been established. The impedance model has been contrasted with the traditional PLL-based control scheme. Our findings demonstrate that the PLL-less and voltage sensorless control approach lacks the negative resistance behavior that is frequently observed in the traditional scheme, which results in unstable operations. Furthermore, the role of virtual resistance has been examined. To substantiate the aforementioned findings, simulation results are presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Switching-Cycle-Based Startup for Grid-tied Inverters

This paper presents a novel switching cycle-based startup approach that eliminates the need for voltage sensors and phase-locked loops. Here, the proposed method surpasses the bandwidth limitations inherent in traditional PLL-based synchronization techniques and attains grid synchronization of the inverter within two switching cycles. Despite the absence of voltage sensors and PLLs, this synchronization is achieved without inrush currents. Furthermore, the startup method does not necessitate the addition of any hardware or an increase in software complexity. Simulation and experimental results are presented to verify the effectiveness of the proposed method.

42 ENGINEERING↗