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Physics Condensed Matter

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Wednesday 2 September

Statistical Mechanics · Cross-listed from quant-ph

Renormalization group and long-range conditional mutual information in hierarchical models

A departure of a mixed quantum state from a local Gibbs description is generally invisible to local observables but can be detected by the conditional mutual information (CMI). Here we study the relationship between the renormalization group (RG) and CMI, and in particular, how RG constrains CMI. We first show that the CMI between nonadjacent regions $A$ and $C$, conditioned on the buffer region $B$, is UV-finite whenever the state admits a locally reversible RG with a fixed on-site Hilbert space dimension. We then study two hierarchical models that have long-range CMI and yet admit a simple RG description. The first model has a divergent Markov length at every temperature $0<T<\infty$ but nevertheless flows to an infinite-temperature product state under RG. The second model satisfies the local Markov condition while violating the global one and is stable against weak noise. At the critical noise strength, the two-point CMI decays only polynomially as a function of the system size, while the two-point mutual information vanishes.
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Materials Science · Cross-listed from cs.LG

Scalable Bayesian Optimization of Composite Functions for Image-Based Inverse Problems in Materials Characterization

Estimating physical parameters from scientific images is a common inverse problem in materials characterization that often relies on expensive physics-based simulations. In electron microscopy, specimen thickness and crystal mistilt are critical parameters that govern how electrons scatter through the sample, and therefore the accuracy of any atomic-scale structure recovered from it. They are commonly inferred by matching experimental position-averaged convergent-beam electron diffraction (PACBED) patterns to simulated ones, but grid searches scale poorly and neural-network methods require extensive pretraining that may not transfer to new conditions. Here, we propose scalable Bayesian optimization of composite functions (SBOCF), a simulation-efficient method that exploits the known composite structure of the image-matching objective and the intermediate information contained in simulated images. By representing PACBED images with patch-level summaries and two correction terms, SBOCF preserves the original pixel-wise objective while reducing the number of modeled outputs from 24,649 to 11. Under a budget of 50 simulator evaluations, SBOCF outperformed standard Bayesian optimization with expected improvement on synthetic SrTiO3 benchmarks with thick and thin specimens, reducing the median final SSE by up to 290x in the thick-sample case. On experimental data, SBOCF produced parameter estimates consistent with previously reported values without task-specific pretraining. For a simulated mistilted specimen, using the SBOCF estimates in a downstream ptychographic reconstruction recovered sharp atoms that were otherwise blurred. These results establish SBOCF as a promising approach for inverse problems involving expensive simulators and high-dimensional structured outputs.
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All authors Dasol Yoon, Poompol Buathong, Chia-Hao Lee, Yujia Zhang, David A. Muller, Peter I. Frazier

Materials Science

EuIn2Sb2: epitaxially stabilized axion insulator candidate with strong spin-orbit coupling

Eu triangular lattice layer compounds described by the general formula EuA2X2 have attracted growing attention due to a wide range of layered crystal structures and corresponding magnetic topological phases, arising from the coexistence of large Eu magnetic moments and energetically inverted A and X bands. Among the EuA2X2 family, EuIn2Sb2 has been predicted to host robust axion insulator and higher-order topological insulator states by stronger spin-orbit coupling but has not been experimentally realized, including the structural identification. Here we report the epitaxial stabilization of EuIn2Sb2 by adopting the molecular beam epitaxy technique. Structural characterization reveals that EuIn2Sb2 films are based on a unique In-on-In stacking, forming a new trilayer structure distinct from previously predicted structures in the EuA2X2 family. In addition to the in-plane antiferromagnetic ordering at TN=10.5K, the stronger spin-orbit coupling and enhanced In-In hybridization in EuIn2Sb2 make it an ideal candidate of axion insulator and higher-order topological insulator phases. These results establish EuIn2Sb2 as a new member of the EuA2X2 family and offer an advanced platform for exploring these magnetic topological phases.
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All authors Hsiang Lee, Shinichi Nishihaya, Markus Kriener, Ayano Nakamura, Tadashi Yoneda, Yuki Deguchi, Makuro Goto, Masaki Uchida

Mesoscale and Nanoscale Physics

Persistence and emergence of quantum defects through pressure-induced phase changes

Extreme pressures can transform materials and their properties, but probing these in-situ is made challenging by the small sample volumes and access requirements demanded by diamond anvil cells. Quantum defects offer a route to local measurements under such conditions, yet their sensing performance can be dictated by pressure-induced changes in their own host material. On the other hand, pressure may also be harnessed as a tool to engineer and stabilize new quantum defects with emergent functionalities. Here, we demonstrate both aspects within a unified platform based on optically active spin-pair defects in hexagonal boron nitride (hBN). As robust quantum sensors under pressure, these spin-1/2 systems retain pressure-independent spin resonances up to 20 GPa while maintaining or even enhancing their optical emission, in stark contrast to the spin-1 boron-vacancy centre in the same material. Simultaneously, we show that compression acts as a means of quantum defect engineering: the starting hBN undergoes an irreversible transformation into wurtzite boron nitride (wBN), during which the defect landscape is reconfigured. Spin-pair sensors are seen to persist across this structural transition, however, depending on the starting material we also observe new, highly fluorescent defects in the wBN phase. These results establish spin-pair defects in boron nitride as pressure-resilient quantum sensors while highlighting high pressure itself as a versatile pathway for creating and tuning quantum emitters.
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All authors Alexander J Healey, Alan Salek, Christopher T-K Lew, Zsolt Benedek, Brett C Johnson, Josiah E Hsi, Islay O Robertson, Kaijian Xing, Hiroshi Abe, Takeshi Ohshima, Kenji Watanabe, Takashi Taniguchi, Mehran Kianinina, Viktor Ivady, Igor Aharonovich, Dougal McCulloch, Jean-Philippe Tetienne, David A Broadway

Mesoscale and Nanoscale Physics

Complete Topological Classification with P and T Symmetries: Revealing a Topological Invariant Invisible to K-Theory

The K-theoretic framework provides a complete topological classification of the tenfold symmetry classes and has been generalized to incorporate crystalline symmetries. Here, we show that this classification is incomplete even in the elementary case of spinless systems possessing both P and T symmetries. We obtain the complete classification through a first-principles analysis of the topological classes of P- and T-symmetric bands, namely, by classifying the corresponding symmetric clutching data. We identify a topological invariant that is invisible from the K-theoretic perspective when the occupied states at each inversion-invariant momentum have uniformly positive or uniformly negative parity. In special cases, such as when all inversion-invariant momenta have uniformly positive parity, this invariant can be interpreted as the second Stiefel–Whitney class or the Euler number defined over an inversion fundamental domain, namely, half of the Brillouin zone. Our work not only reveals a new topological invariant that cannot be determined from the parity spectra at inversion-invariant momenta under P and T symmetries, but also demonstrates the existence of crystalline topological phases that are absent from the K-theoretic classification.
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Quantum Gases

Bell inequality violation with momentum-entangled massive particles

Bell's theorem revealed the fundamental incompatibility between the predictions of quantum mechanics and local realism. Bell inequality violations have since demonstrated quantum nonlocality using photons and internal states of massive particles, but never using their motional states. Here we report the first Bell inequality violation in the motional states of massive particles. Using momentum-entangled pairs of metastable helium atoms manipulated by matter-wave interferometry, we measure a Clauser-Horne-Shimony-Holt (CHSH) Bell parameter of $S = 2.52 \pm 0.17$, violating the CHSH-Bell inequality ($S \le 2$). Our work completes a long-standing objective in quantum atom optics by extending Bell tests from internal quantum variables to the external degrees of freedom of massive particles, opening a new regime for exploring quantum nonlocality in matter waves and for investigating the interplay between quantum mechanics and gravity.
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All authors Y. S. Athreya, S. Kannan, X. T. Yan, K. V. Kheruntsyan, A. G. Truscott, S. S. Hodgman

Materials Science

Symmetry-enforced third-order nonlinear thermal Hall effects in altermagnets

Thermal Hall effect (THE) is a powerful probe of material properties, even in insulators. Here we investigate the thermal response of altermagnets by developing a theory on Berry curvature driven nonlinear THE from both electrons and magnons. We identify symmetry conditions under which the third-order THE dominates while linear and second-order contributions vanish. Notably, d-wave and i-wave altermagnets with out-of-plane Neel order satisfy these conditions, whereas in-plane order yields a dominant linear THE. Using KV2Se2O (a d-wave altermagnetic metal) and MnF2 (an altermagnetic insulator) as concrete examples, we show nonzero third-order nonlinear THE from electrons and magnons, respectively, both exhibiting a pi-periodic dependence on the direction of temperature gradient. These symmetry-guaranteed Berry curvature phenomena provide a diagnostic for altermagnetism in candidate materials and enable determination of the Neel vector orientation.
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All authors Yun-Mei Li, Jiacheng Yao, Hua Wang, Kai Chang

Materials Science

Machine-learning screening and first-principles lattice dynamics resolve the most stable structure of NaCa(BH$_4$)$_3$ from a data-driven candidate search

Equimolar NaCa(BH$_4$)$_3$ offers a theoretical hydrogen capacity of 11.24 wt.% and a decomposition enthalpy expected to fall between those of NaBH$_4$ and Ca(BH$_4$)$_2$, but it has never been prepared and no crystal structure has been reported. Predictions for it have so far been built within the perovskite family that its heavier homologues adopt. Here that assumption is removed. Six candidate frameworks were assembled from three independent sources — experimentally determined ABX$_3$ borohydrides, a distorted perovskite from data-driven structure prediction, and an unbiased search over a structural database in which all 2238 generated candidates were relaxed with none excluded — and at fixed charge-neutral composition the cation arrangement of every framework was enumerated exhaustively, 420 decorations reducing to 118 symmetry-inequivalent configurations, screened with a machine-learning potential and settled from first principles. The most stable structure is not a perovskite. It is a monoclinic framework of space group Cm, reached only by the unrestricted search, at $-$4.185640 eV/atom, 7.67 meV/atom below the best framework available beforehand; two chemically unrelated donor prototypes converge on it to 0.076 meV/atom, and its ordered cation arrangement is the ground state of its own series. Its phonon spectrum carries no imaginary mode at any wavevector the supercell resolves exactly and its relaxed-ion elastic tensor is positive definite, whereas the orthorhombic perovskite candidate is unstable to $-$2.401 THz. That contrast supplies a physical reason for the reported failure to obtain this composition in perovskite form, and the simulated diffraction pattern reported here identifies the predicted framework by seven reflections that neither parent phase nor the competing framework produces.
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All authors Sanaa Ismail, Ricardo Amaral, Attia A. Gadallah, Hassan Mohamed El-Said Azzazy, Zi-Kui Liu

Quantum Gases · Cross-listed from quant-ph

Maximal-velocity deficit under a finite-support constraint in a hard-wall half-line continuous-time quantum walk

Continuous-time quantum walks on a lattice spread ballistically and converge to a limiting distribution for the rescaled position. On the hard-wall half line the boundary reflects the walker but does not change the bulk dispersion, so the ballistic front remains set by the maximal group velocity. We ask how close one can get to this front when the initial state is constrained to occupy only the first $M$ sites. We show that optimizing the moment-generating function of the limiting-velocity distribution over this finite-support class reduces to the principal eigenvalue of an explicit $M\times M$ Hermitian matrix, which yields the optimal state by direct diagonalization. For large $M$, a near-front scaling limit produces a continuum description that controls the entire peak region. In particular, the maximal mean drift approaches the front with an inverse-square deficit in $M$ and a constant prefactor $\pi^2/4$. Numerical results verify both the finite-$M$ spectral formulation and the predicted scaling.
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Strongly Correlated Electrons

Observation of g-wave altermagnetic multipole

Over the past few years, altermagnets have emerged as a new class of collinear magnets with broken time-reversal symmetry, offering novel opportunities for spintronics beyond conventional magnets. Rather than from net magnetization, as in ferromagnets, the unconventional time-reversal symmetry breaking of altermagnets originates from antiferroic magnetic dipoles locked to higher-order multipoles. Here we report the direct visualization of a $g$-wave altermagnetic multipole in the canonical altermagnet CrSb. Combining high-energy synchrotron X-ray diffraction with valence electron density (VED) analysis, we uncover a pronounced directional anisotropy of the VED distribution alternating between Cr sublattices. This evidences the antiferroic order of electric hexadecapoles predicted in $g$-wave altermagnets. Its coexistence with antiferroic magnetic dipoles induces ferroic magnetic multipoles, as probed by polarized neutron diffraction. We further identify a microscopic model of altermagnetism that directly relates the $g$-wave multipole and the $g$-wave spin splitting. Through direct observation and quantification of multipoles, this study provides a real-space fingerprint of altermagnetism and establishes a general probe of hidden multipole order in quantum materials.
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All authors Ryo Misawa, Rikuto Oiwa, Shunsuke Kitou, Tatsuya Miki, Motohiko Ezawa, Weiyi Yun, Rinsuke Yamada, Chihaya Koyama, J. Alberto Rodríguez Velamazán, Kamil K. Kolincio, Navid Qureshi, Elina Zhakina, Yuiga Nakamura, Jan Masell, Ilya Belopolski, Taka-hisa Arima, Yusuke Nomura, Satoru Hayami, Max Hirschberger

Tuesday 1 September

Materials Science · Cross-listed from cs.CL

SALSA: Semi-Autonomous Literature Summarization Assistant

SALSA (Semi-Autonomous Literature Summarization Assistant) is an open- source, human-in-the-loop platform for extracting structured scientific datasets from multimodal literature sources. The software combines document parsing, large language models, optical character recognition, computer vision, figure digitization, and user-guided correction tools to recover structured information from text, tables, figures, and captions. Users can configure extraction stages, define dataset schemas, perform interventions on digitized figures, and export verified data for downstream analysis and machine learning. SALSA is designed to automate repetitive literature curation tasks while preserving oversight where expert judgment is required. By supporting customizable extraction workflows across diverse input types, the software provides a flexible framework for scalable, reliable data curation for materials research, and potentially across several disciplines. Users are responsible for ensuring that all inputs, extraction workflows, and downstream uses comply with applicable publisher agreements, copyright and licensing terms, institutional policies, and data-use requirements.
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Materials Science

FrOGS: Discrete Neural Sampler for Independent Alloy Configurations Across Chemical Conditions

Predicting the thermodynamic properties of an alloy requires sampling its configurations across many chemical conditions and recovering free energies on a common absolute scale. Markov chain Monte Carlo (MCMC) is the standard tool, but it requires separate simulations at different conditions, and auxiliary free-energy methods such as thermodynamic integration are used to place results on a common absolute scale. Modern discrete neural samplers typically use reverse KL divergence as the objective and can be mode-seeking or biased. We present Free energy Offering Generative Sampler (FrOGS), a hybrid discrete neural sampler that couples an autoregressive model to a continuous-time Markov chain (CTMC) to be trained jointly under a single shared loss. FrOGS draws i.i.d. configurations, returns an unbiased estimate of the partition function, and gives consistent estimates of thermodynamic observables. We train a single model across a wide range of chemical conditions to produce estimates on a common absolute free-energy scale. FrOGS matches exact finite-size results on the 2D Ising model and reference phase diagrams for AgPd and CuAu, without mode collapse. We additionally compare to SEGAL, a published autoregressive baseline, and find that only FrOGS recovers the stability range of the CuAu$_3$ phase.
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Mesoscale and Nanoscale Physics

A Unified Description of Dirac-Cone Anisotropies in Two Dimensions

Anisotropies in two-dimensional materials are responsible for a variety of effects that significantly modify their physical properties. In this paper, we present a covariant modification of the Dirac equation that incorporates anisotropies into the effective low-energy description around the Dirac point. The model is constructed by analogy with a Lorentz-violating extension of the Standard Model of elementary particles and yields a (2+1)-dimensional framework describing physical effects such as shifted, tilted, and distorted Dirac cones through its free parameters. The proposed model thus provides a general and unified framework in which distinct anisotropy-induced modifications of the Dirac spectrum and their combinations can be systematically characterized. We further apply the model to strained graphene and show that its effective parameters can be quantitatively extracted from first-principles electronic band structures while retaining a direct geometrical interpretation. These results establish a connection between the microscopic electronic structure and a material-independent effective description of anisotropic two-dimensional Dirac systems.
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All authors L. C. T. Brito, Cleverson Filgueiras, D. M. Lopes, A. G. Martins, Igor S. S. de Oliveira

Statistical Mechanics · Cross-listed from quant-ph

Exact diffusion coefficients for quantum–classical hybrid walks

One-dimensional quantum–classical hybrid walks are introduced by combining quantum and classical steps under periodic and random protocols. Exact diffusion coefficients are derived for both protocols throughout the diffusive regime. The exact results show how diffusion depends on the average frequency and temporal arrangement of classical steps. As the average frequency approaches zero, both diffusion coefficients diverge inversely with the frequency. At matched average frequencies, the ratio of the diffusion coefficients for the random and periodic protocols approaches two. A finite-mode approximation is also developed and tested against the exact diffusion coefficient for the random protocol. The exact results for the one-dimensional model provide a foundation for future studies of more general quantum–classical hybrid walks.
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Quantum Gases

Non-Additivity of Microwave-Shielded Interactions between Dipolar Molecules

Theoretical models of the effective interactions between microwave-shielded polar molecules typically rely on the assumption of pairwise additivity. In this work, we test the validity of this pairwise approximation by evaluating the exact many-body potential energy for configurations of three and four molecules. We demonstrate that this approximation fails for molecule configurations in the plane of the circularly polarized microwave field. In these planar geometries, many-body effects significantly increase the depth of the attractive potential well and shift the position of the repulsive barrier. Although out-of-plane interactions in three-dimensional arrangements weaken this non-additivity, the effective interactions between microwave-shielded dipoles are not a simple sum of pair interactions. In particular, their attractive well, crucial for self-bound clusters, can only be described by the full many-body potential energy.
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Superconductivity

Interaction effects on Andreev states from an electromagnetic environment

Here we present a detailed theoretical investigation of the environment-induced interaction correction to the ground states and addition energies in a short superconducting junction. We derive general formulas for these corrections linking them to the frequency-dependent admittance of the junction and the environment impedance. We specify two environmental models: that of an external impedance and the Mattis-Bardeen model. In both cases we assume $G_Q Z \ll 1$, where $G_Q$ is the conductance quantum and $Z$ the typical environmental resistance. While an expectation is that the typical scale of the relative correction is of the order $G_Q Z$, we have found that in many cases the dimensionless scale $L G_Q \Delta$ provides a better estimation, where $\Delta$ is the superconducting energy gap and $L$ an external inductance. We discuss the logarithmic renormalizations of the energies by low- and high-frequency phase fluctuations and single out a non-superconducting contribution related to the renormalization of transmission eigenvalues. We investigate in detail the peculiarities of the corrections at: i. small phases, where the interaction causes a current jump, ii. Andreev bound state energies close to the gap edge, iii. Andreev bound state energies close to Fermi level. In all these cases the correction may become comparable with the unperturbed energy, even for $G_Q Z \ll 1$, and we briefly sketch non-perturbative models relevant for the situations.
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Statistical Mechanics

Microscopic dynamics of contagion using active Brownian particles: universal scaling and propagation controlled by protection

Understanding how individual protection and population density influence epidemic spreading remains a central challenge in epidemiology. While classical compartmental models successfully describe the temporal evolution of epidemics, they do not explicitly account for the microscopic motion and spatial organisation of individuals. Here, we investigate contagion dynamics using an agent-based model of Active Brownian Particles (ABPs), where self-propelled agents interact through local contact and a prescribed fraction of the population is protected. By systematically varying the protected-agent fraction and the population density, we identify two distinct contagion regimes separated by a crossover protection of approximately $30\%$. Below this threshold, the maximum contagion rate follows the universal scaling $\nu_{\mathrm{max}}\propto\phi^{1/2}$, indicating that disease transmission is governed primarily by frequency of encounters. Above the threshold, universal scaling is lost and protection becomes the dominant mechanism controlling epidemic spreading, with the strongest suppression occurring in low-density populations. These results demonstrate that microscopic active-matter models provide a powerful framework for investigating epidemic dynamics beyond the assumptions of well-mixed population models and reveal how spatial organisation and individual protection jointly determine contagion dynamics.
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Materials Science

Machine Learning Local Potentials for Accelerated Electron-Phonon Interactions Calculations within the Projector Augmented-Wave Framework

Electron-phonon interactions govern carrier dynamics, transport, and many optical and quantum phenomena in solids, but finite-displacement calculations within the projector augmented-wave (PAW) framework require up to 6N self-consistent supercell calculations for an N-atom system, making them costly for large, low-symmetry, and disordered materials. We introduce MLLocP, a machine learning strategy that learns the self-consistent local potential on real-space grids and supplies its displacement derivatives to the evaluation of all-electron PAW electron-phonon matrix elements. Analysis of the PAW decomposition identifies the local-potential contribution as a natural target for machine learning, while the remaining PAW quantities are retained within the established VASP/PHELEL framework. Using targeted grid-point sampling and feature-diversity selection for efficient model training, we validate MLLocP for elemental Cu, polar BAs, and chemically disordered Cu3Au. The learned potentials and their resulting displacement derivatives closely reproduce direct density functional theory calculations, yielding transport coefficients within approximately 3.5% for BAs mobility, 8% for Cu conductivity, and 11% for Cu3Au conductivity. For the 32-atom Cu3Au special quasirandom structure, using 40 sampled configurations reduces the number of self-consistent calculations by about fivefold relative to the 192 displaced structures required directly; using 20 or 10 configurations increases the acceleration to approximately 10- and 20-fold, with conductivity errors of 14.3% and 18.6%, respectively. MLLocP thus provides a scalable route to PAW electron-phonon calculations in complex materials while preserving the underlying all-electron formalism.
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Soft Condensed Matter · Cross-listed from physics.flu-dyn

Yielded-region connectivity governs the onset of gravity-driven spreading in elastoviscoplastic drops

The physical mechanisms controlling the onset of gravity-driven spreading of elastoviscoplastic drops remain unclear because yielding, elastic deformation, and viscous dissipation can occur simultaneously in different regions of the material. To isolate these mechanisms, we perform direct numerical simulations of large axisymmetric drops resting on a thin precursor layer of the same material. Each drop is first equilibrated under gravity, $g$, before being subjected to an additional constant downward acceleration of varying magnitude. The drop rheology is described by the Saramito–Herschel–Bulkley model. Once the rate of deformation becomes negligible under the enhanced forcing, the additional acceleration is removed and the drop is allowed to relax again under gravity alone, enabling the global deformation to be separated into recoverable and unrecoverable components. We find that spreading does not occur simply because some portion of the material yields locally. At low imposed accelerations, yielded regions remain confined within a predominantly solid-like viscoelastic matrix, and the resulting deformation is mostly recoverable. Appreciable spreading is observed when these yielded regions connect to form a continuous fluidised pathway from the drop interior to the free surface, allowing radial material transport. The acceleration required for this transition is governed primarily by the yield stress, whereas elasticity controls the partition between recoverable deformation and spreading by regulating the extent and spatial distribution of yielded regions.
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All authors Alice Woodbridge, Patrick O'Rourke, Cláudio P. Fonte, Anne Juel

Disordered Systems and Neural Networks · Cross-listed from quant-ph

Quantum Circuit and Tensor Network Implementation of the 2D Acoustic Wave Equation

We present a cohesive framework for simulating seismic wave propagation utilizing quantum computing paradigms and their classical tensor network equivalents. We detail a quantum circuit-based formulation for the explicit finite-difference time-domain (FDTD) solution of the two-dimensional acoustic wave equation and map this quantum architecture onto a tensor train representation, namely for Matrix Product State (MPS). The MPS solver enables deterministic simulation of large-scale wavefield dynamics on classical high-performance computing systems. We demonstrate the MPS representation by computing 2D seismic wavefields on the Marmousi model. Our results indicate that the MPS representation is a viable direction for computing and scaling wavefield propagation.
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Materials Science

Morphology and Dynamics of Self-interstitial Clusters in Irradiated Nickel

Self-interstitial atom (SIA) clustering is a key early step in radiation damage evolution in face-centered cubic (FCC) metals, governing defect transport, recombination, and the long-term microstructural response of irradiated alloys. We combine molecular dynamics (MD) simulations and high-speed (>1000 frames/s) in situ transmission electron microscopy (TEM) to investigate the structure, energetics, and migration dynamics of SIA clusters in FCC Ni. MD simulations show that interstitials initially form disordered dumbbell clusters that evolve into either sessile Frank loops or glissile perfect (prismatic) loops; the latter progressively reorganize into compact ordered configurations with increasing mobility. Direct construction of both loop types over a wide size range, validated against MD-relaxed structures, shows that perfect loops are thermodynamically favored over Frank loops for cluster sizes N greater than or equal to 14, where N is the number of SIAs, with the energetic advantage increasing with cluster size. Nevertheless, substantial kinetic barriers allow Frank loops to persist as metastable defects. For perfect loops, diffusion coefficients computed over N = 16 to 400 reveal a nearly size-independent migration barrier of approximately 0.02 eV, while the diffusion prefactor decreases approximately as N^(-0.54). Trajectory analysis reveals a non-rigid, row-wise relay mechanism in which the number of participating atoms increases systematically with loop size, accounting for much of the observed prefactor scaling. Sub-millisecond in situ TEM observations reveal intermittent loop motion at velocities higher than previously observed but still several orders of magnitude below the intrinsic mobilities predicted by MD, indicating migration through a heterogeneous energy landscape of mobile and pinned states.
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All authors Ajay Annamareddy, Ibrahim Momohjimoh, Hangyu Li, Kevin G. Field, Paul M. Voyles, Dane Morgan

Materials Science · Cross-listed from cs.CV

RAFT-DVC: Resolution-Aware Machine Learning-Based Digital Volume Correlation

Digital volume correlation (DVC) provides three-dimensional full-field displacement measurements from volumetric images, but how the internal resolution of a machine-learning-based DVC model affects accuracy and operating range remains poorly understood. Here, we present RAFT-DVC, a resolution-aware family of recurrent all-pairs field transforms (RAFT)-based DVC solvers with encoder downsampling factors s = 2, 4, and 8. Using a matched design, we find that the three solvers localize displacement to approximately 0.017 feature-grid voxel, giving an empirical raw-volume error scaling of approximately 0.017s voxel. The solvers exhibit complementary operating regimes governed jointly by displacement reach and volumetric-texture compatibility. Synthetic benchmarks show that RAFT-DVC achieves errors of the same order as tuned classical DVC under fine-texture, small-to-moderate-displacement conditions and becomes competitive or advantageous under coarse-texture, large-displacement conditions. Frequency-swept tests quantify deformation spatial resolution, while tiled inference enables dense estimation on large volumes. Evaluation on confocal volumetric images acquired during indentation illustrates the importance of matching solver operating regime to deformation magnitude and image texture. Tests on micro-CT images of elastomeric foam, despite training only on particle-labeled synthetic data, provide evidence of cross-texture transfer. We also identify coordinate-order inconsistencies in three-dimensional RAFT correlation sampling and introduce a non-cubic impulse test to verify sampler geometry independently of network training. Correcting the sampler improves native-input accuracy and generalization to unseen volume dimensions. Together, these results establish RAFT-DVC as a fast, resolution-aware framework for dense DVC with characterized accuracy and operating regimes.
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Materials Science

Molecular spin qubits in a van der Waals bottle

Advancing quantum information technologies requires qubits whose coherence can be precisely engineered. Among the qubit platforms in development, molecular spin qubits (MSQs) stand out for their atomic scale tunability and chemical specificity, making them powerful candidates for sensing, simulation, and information processing. However, integrating MSQs into solid-state architectures without degrading their coherence remains a central challenge. Here, we introduce van der Waals (vdW) confinement within two-dimensional materials as a strategy for stabilizing quantum states in MSQs by engineering their local electronic, vibrational, and symmetry environments. Using cobaltocene as a model system, we show that confinement within vdW SnS2 and CdPS3 single crystals reorganizes the single-ion energy landscape and slows spin-lattice relaxation by over two orders of magnitude relative to unconfined cobaltocene. The confined MSQs adopt deterministic orientations and self-assemble into ordered, atomically precise superlattices, establishing vdW confinement as a pathway for integrating MSQs into functional quantum devices.
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All authors Anna Champ, Eleanor Mackintosh, André Koch Liston, Sanghyo Lee, Eric D. Walter, Raphaël P. Hermann, George Yumnam, Eric Seewald, Xuehao Wu, Willa Mihalyi-Koch, Augustin Braun, Johan van Tol, Tomas Orlando, Mykhaylo Ozerov, Byeongjun Gil, Myung-Geun Han, Yimei Zhu, Miyoung Kim, Abhay N. Pasupathy, Milan Delor, Michael L. Steigerwald, Timothy C. Berkelbach, Colin Nuckolls, Xavier Roy, Arun Ramanathan

Statistical Mechanics · Cross-listed from q-bio.PE

A greedy nearest-neighbor approach to quantify site revisitation: comparing two sympatric raven species

A central challenge in movement ecology is to describe ecologically meaningful residence sites from raw tracking data due to heterogeneous sampling frequency and uncertain site boundaries. Here, we develop a greedy nearest-neighbor clustering approach with local reassignment and polygon-based site construction that generates timestamped sequences of site visits for each tracked individual, and apply it to nine years of GPS data from two sympatric raven species in the Dead Sea region—the Fan-tailed Raven (Corvus rhipidurus) and the Brown-necked Raven (C. ruficollis). Using the resulting visitation sequences, we quantify recursion patterns using the non-Markovian individual mobility model (IMM), which captures the balance between novel-site discovery $\beta$ and preferential return $\alpha$. The inferred dynamics are consistent with IMM predictions and reveal clear interspecific differences: Brown-necked Ravens continue to discover new sites at a higher rate (lower $\beta$), whereas Fan-tailed Ravens show a steeper concentration of visits among top-ranked sites. Entropy analyses further separate the species, with Brown-necked Ravens exhibiting higher site entropy and higher conditional entropy of site-to-site transitions. Together, these results provide a robust framework for describing interspecific differences in movement strategies that can be used to infer memory from GPS data and suggest distinct space-use strategies in two closely related sympatric species.
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All authors Bar Ashkenazi, Miguel de Guinea, Michael Assaf, Ran Nathan

Mesoscale and Nanoscale Physics

Magnons in Metallic Altermagnetic $\text{KV}_2\text{Se}_2\text{O}$

We investigate the spin excitation in altermagnetic vanadium oxyselenides, focusing on the metallic quasi-two-dimensional compound $\text{KV}_2\text{Se}_2\text{O}$. Using a fermionic Hamiltonian derived from ab initio calculations, we compute the transverse spin susceptibilities within the random phase approximation and extract the magnon dispersion relation. We show that the altermagnetic symmetry leads to characteristic degeneracies and directional splittings in both the electronic bands and the magnon spectra along high-symmetry paths of the Brillouin zone. The metallic $\text{KV}_2\text{Se}_2\text{O}$ exhibits finite magnon linewidths arising from the coupling to the particle-hole continuum. Furthermore, by fixing the magnitude of the wave vector and varying its in-plane direction, we uncover a pronounced angular dependence of the magnon energies and lifetimes, with complementary damping behavior between the two magnon branches. Upon including spin-orbit coupling, the system exhibits an out-of-plane easy c-axis anisotropy, which opens a magnon gap of approximately 6 meV at the $\Gamma$-point, possibly rendering the magnetic order stable at room temperature. Our results demonstrate that altermagnetism controls not only the dispersion but also the anisotropic decay of spin excitations, highlighting altermagnetic metals as promising platforms for directionally selective magnon transport.
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Materials Science

Symmetry-selective nonrelativistic spin splitting in antiferromagnets driven by coherent phonons

Nonrelativistic spin splitting (NRSS) in antiferromagnets (AFMs) enables magnetization-free spin polarization for ultrafast spintronics. Here, we demonstrate that coherent phonons can dynamically induce and control NRSS in collinear AFMs. Excitation of $\Gamma$-point infrared-active phonons lifts the spin degeneracy of the ground state, while the residual sublattice-connecting symmetries determine the momentum-space form of the induced splitting. Because the relevant infrared modes couple to orthogonal in-plane light polarizations, distinct spin-split phases can be selectively activated by the polarization of the driving field. Using first-principles calculations for MnPS$_3$, we show that a mode that breaks all sublattice-connecting symmetries induces an $s$-wave spin-split state with $\Delta(\Gamma)\neq0$, whereas a symmetry-distinct mode that preserves a sublattice-connecting mirror symmetry generates a $d$-wave altermagnetic state with $\Delta(\Gamma)=0$. In both cases, the spin splitting grows linearly with the phonon amplitude and reverses the induced spin polarization when the displacement is reversed. Our results establish coherent lattice driving as a direct, polarization- and mode-selective route to dynamically induce distinct NRSS phases in AFMs.
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All authors Sangeeta Rajpurohit, Mohsen Yarmohammadi, Sheikh Rubaiat Ul Haque, Tony F. Heinz, Aaron M. Lindenberg, Tadashi Ogitsu

Quantum Gases

Kelvin-Helmholtz instability in annular superfluids across the UFG-BCS crossover

We investigate the Kelvin-Helmholtz instability of counter-rotating annular Fermi superfluids using time-dependent superfluid density functional theory. When the two initially separated superflows merge, a necklace of quantized vortices forms at their interface and subsequently becomes unstable. We extract mode-resolved instability growth rates and study their dependence on relative flow velocity, interaction strength, and temperature across the strongly interacting unitary regime and the weakly attractive BCS regime. In the unitary gas and moderate BCS regimes, the growth rates remain qualitatively consistent with the point-vortex model, though systematically at or above its predictions, with no significant dependence on interaction strength or temperature up to approximately $0.3 T_c$. Deeper in the BCS regime, the dynamics change qualitatively: boundary-generated antivortices proliferate faster than the Kelvin-Helmholtz instability itself, destroying the initial vortex necklace before the instability can fully develop. These results provide a microscopic benchmark for Kelvin-Helmholtz dynamics in fermionic superfluids and help constrain possible explanations of the existing experiment-theory discrepancy.
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Mesoscale and Nanoscale Physics

Tuning Boron-Vacancy Qubit Coherence through Layer Number in hBN

The negatively charged boron vacancy ($\VB$) in hexagonal boron nitride (\hBN{}) was the first optically addressable spin qubit identified inside a van der Waals crystal, allowing atomically defined placement relative to a target. Its coherence in bulk \hBN{} is limited by the boron nuclei of the layers flanking the defect plane, which a thin flake removes. Here, we use a generalized cluster-correlation expansion with an extended central-spin block to calculate the Hahn-echo coherence time of $\VB$ in h$^{11}$B$^{15}$N as a function of layer number. Our results show that $T_2$ rises from $199\ns$ in the bulk limit to $653\ns$ in a monolayer, a factor of $3.3$ that is already saturated at three layers and that a sublattice decomposition attributes entirely to boron. The enhancement is confined to low field, is insensitive to stacking registry and twist angle, and requires alignment to within about two degrees, an onset we reproduce with no free parameters. Under dynamical decoupling, a $1/e$ threshold returns $206\ns$ for every thickness, but this is a zero of the first-shell modulation rather than a decay: measured without a threshold, the layer contrast survives and reaches a factor of $170$. Layer number thus emerges as a design parameter for $\VB$-based sensing.
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Strongly Correlated Electrons

Evolution from Kitaev to XXZ spin chains via distortion: Application to BaCo$_2$V$_2$O$_8$

BaCo$_2$V$_2$O$_8$ is a prototypical spin-orbit-coupled Ising-chain antiferromagnet that provides a unique platform for studying field-induced quantum magnetism. Under a transverse magnetic field, it exhibits unusual magnetic properties, including an anomalous staggered magnetization and a pronounced anisotropy of the critical field with respect to the in-plane field direction. While these phenomena have been attributed phenomenologically to a site-dependent anisotropic $g$-tensor, a recent microscopic theory has shown that spin-orbit coupling naturally generates bond-dependent Heisenberg, Kitaev, and $\Gamma$ exchange interactions. Here, we unify these two pictures by extending the microscopic theory to incorporate distortions of the CoO$_6$ octahedra. We show that the distortions not only generate the site-dependent anisotropic $g$-tensor but also renormalize the staggered exchange interactions through a distortion-induced contribution that partially compensates the Kitaev-derived staggered term. Using point-charge calculations to estimate the $g$-tensor of BaCo$_2$V$_2$O$_8$, we demonstrate that the strong anisotropy of the critical field originates from the combined effects of the modified exchange interactions and the anisotropic $g$-tensor. Our work provides a unified microscopic framework for understanding the magnetic anisotropy of spin-orbit-coupled Ising-chain materials.
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Statistical Mechanics

Piston-Like Information Engine II: Boundary-Controlled Optimum in Active Matter

Information engines convert information into extractable work through measurements and feedback. We realize an engine that employs information to compress a gas of self-propelled bristle bots. Its work per measurement, $\bar{W}$, is controlled by the size of the detection region $\Delta x$ and the probability $p_1$ that this region is vacant. In thermal systems, $\bar{W}$ follows the universal form $-p_1 \ln p_1$, whereas the active engine shows a qualitatively modified relation. As particle density increases, the maximum of $\bar{W}(\Delta x)$ switches between two distinct operating regimes. Notably, this transition is also found in the solutions that maximize power output for finite-time cycles with dynamics affected by dry friction. We attribute this nonequilibrium feature to the accumulation of active particles near the boundaries.
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All authors Laura Hoek, Neta Ben Ari, Rémi Goerlich, Saar Rahav, Yael Roichman