Statistical Mechanics
Microscopic Nonreciprocity-Governed Topological Boundary Flows in Active Matter
Tong Zhu and Zhigang Zheng
We connect microscopic nonreciprocity to
chiral boundary transport in a minimal frustrated Vicsek–Kuramoto model. Unlike field-level constructions, a low-angular-harmonic closure of particle dynamics yields the non-Hermitian operator. Direction-independent polar projector limits permit wave-number compactification, and the Sakaguchi phase lag reverses the polar
spin weights, producing $C=\pm2$ where the closure is nonsingular and the projector remains globally isolated. Strip edge-mode propagation agrees with particle circulation. Crucially, chirality and defect tolerance are distinct: before pattern onset, boundary streams retain chirality on regular convex boundaries but are vulnerable to strong isolated defects; an interior
vortex lattice supports a counterpropagating edge stream with substantially stronger defect tolerance in the tested geometries. Thus spectral
topology selects a
chiral boundary branch, while pattern formation supports its robust nonlinear realization.
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Materials Science
Notes on remanent magnetization measurements in superconductors and hard ferromagnets
Sergey L. Bud'ko, Mingyu Xu, Weiwei Xie et al. (+3 more)
Data on zero applied field measurements of remanent magnetization and
magnetic relaxation in a BCS
superconductor LuNi2B2C and several hard ferromagnets are presented and compared. Apparent similarities and differences, in particular in Thermoremanent Magnetization (TRM) - like, Isothermal Remanent Magnetization (IRM) - like, and remanent magnetization measurements with zigzag temperature sweep measurements are outlined. It is discussed how these results could be relevant for the magnetization measurements in diamond anvil
cells.
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All authors Sergey L. Bud'ko, Mingyu Xu, Weiwei Xie, Chaowei Hu, Ni Ni, Paul C. Canfield
Soft Condensed Matter
Higher-Order Topological Phase Transitions in Continuous Hyperelastic Manifolds: From Surface Wrinkles to Zero-Energy Corner States
Yu-Xin Xie
Higher-order topological
insulators (HOTIs) have revolutionized our understanding of wave localization, extending the bulk-boundary correspondence to lower-dimensional hinges and corners. Thus far, the realization of mechanical HOTIs has relied exclusively on discretely engineered metamaterials or periodic phononic
lattices. Here, we report a fundamental paradigm shift by demonstrating that continuous, homogeneous hyperelastic
manifolds undergoing finite multiaxial deformations naturally harbor intrinsic higher-order topological phases. By extending the generalized Stroh-Lie impedance formalism into a fully coupled 3D finite-strain framework, we map the highly nonlinear orthotropic
geometric frustration onto a four-band effective Dirac
Hamiltonian spanned by Clifford $\Gamma$-
matrices. We reveal that macroscopic orthogonal stretches act precisely as competing Dirac mass terms, driving the continuous spatial transitions of topological domain walls and triggering a breakdown of $C_{4v}$ spatial
symmetry. Remarkably, we analytically prove that beyond classical 2D surface wrinkling (1st-order
topology), concurrent multiaxial extreme compression unconditionally triggers the emergence of 1D hinge states (2nd-order) and completely localized 0D zero-energy corner states (3rd-order). We further extend this static bifurcation framework into the elastodynamic regime, proving the existence of mid-gap localized vibrational modes. The theoretically derived topological phase diagram, nested Wilson loops, and fractional corner charges are comprehensively verified. Finally, we propose a concrete experimental realization using electro-active dielectric elastomers, enabling the dynamic programming of 0D topological singularities.
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Strongly Correlated Electrons · Cross-listed from hep-th
On the temperature dependence of quasinormal modes in SYK and holography
Matthew Dodelson, Om Gupta, Márk Mezei et al. (+1 more)
It was recently found that the quasinormal modes (or Ruelle–Pollicott resonances) of the SYK model at infinite temperature form a Christmas tree shape, reminiscent of AdS black holes. We generalise this computation to finite temperature, allowing us to continuously connect the infinite temperature results to the low temperature regime dual to JT
gravity. We contrast the movement of the quasinormal modes with a few examples: various AdS black holes, dynamical phase transitions, and the large $p$ SYK chain. We find that the relaxation rate increases monotonically with temperature only at strong coupling, corresponding to the gravitational regime. Byproducts of our investigations are new results on operator growth that may be of independent interest.
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All authors Matthew Dodelson, Om Gupta, Márk Mezei, Diandian Wang
Mesoscale and Nanoscale Physics
Selectivity in tip-induced skeletal editing via heteroatom substitution
Shantanu Mishra, Rasmus Svensson, Valentina Malave et al. (+5 more)
Skeletal editing enables precise structural modifications of molecules at late stages of a synthetic sequence, with applications in drug discovery and materials science. We recently demonstrated skeletal editing on the single-molecule scale. Voltage pulses applied by the tip of a scanning probe microscope to an oxygen-containing seven-membered heterocycle led to both oxygen deletion and ring-contraction rearrangement reactions. An open question is whether selective skeletal editing of a heterocyclic core can be achieved by an appropriate choice of the heteroatom. Here, we show that tip-induced reactions of an analogous sulfur-containing seven-membered ring results in sulfur deletion in virtually all cases. Our results demonstrate that the combination of tip-induced chemistry and heteroatom selection in the molecular design is a powerful strategy for single-molecule skeletal editing, with the potential to enable diverse structural transformations of heterocyclic frameworks.
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All authors Shantanu Mishra, Rasmus Svensson, Valentina Malave, Florian Albrecht, Manuel Vilas-Varela, Henrik Grönbeck, Leo Gross, Diego Peña
Soft Condensed Matter · Cross-listed from math.AP
Polar director structure of SmAP$_\text{F}$ phase of bent-core liquid crystals in thin planar cells with bias electric field
Alec D. Wendland and Xiaodong Yan
We study the polar director structure in thin planar
cells filled with bent-core
liquid crystals in the ferroelectric smectic-A phase (SmAP$_\text{F}$). We analyze a continuum phenomenological model proposed in the physics literature and present rigorous proofs of the existence and uniqueness of the
equilibrium solutions. We further investigate the qualitative properties of nontrivial solutions and examine the effects of a bias electric field, surface anchoring, and
cell thickness on the polar director configuration. Our results are consistent with previous experimental and numerical simulations reported in the physics literature. In addition, our analysis reveals new parameter-dependent behaviors supported by our numerical simulations and extends results reported from previous literature.
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Mesoscale and Nanoscale Physics
High-Resolution Probing of Molecular Junctions: Vibrational Fingerprinting and Parameter Extraction via Current Noise Spectroscopy
Rani Arielly
The precise realization of molecular electronic devices requires a comprehensive understanding of charge transport mechanisms and the specific interplay between electronic and
nuclear degrees of freedom. While average current measurements (I-V characteristics) and conventional Inelastic Electron Tunneling Spectroscopy (IETS) offer valuable insights, they are fundamentally limited by temperature-dependent line-width broadening. This study presents a high-resolution spectroscopic methodology utilizing suspended-wire molecular junctions (SWMJs) based on self-assembled monolayers (SAMs) of 1-decanethiol (C10) and 1,1',4',1”-terphenyl-4-thiol (TPT). By systematically probing the voltage-dependent current noise (${\Delta}I$), we demonstrate that electronic noise spectroscopy circumvents thermal degradation by probing transition rates between vibrational
manifolds rather than simple additions of conductance channels, which enables sub-thermal feature mapping. Leveraging a fast-convolution-based Landauer-Büttiker transport model fitted to experimental data, we map complex vibrational
manifolds, including high-energy overtones. This allows for the direct extraction of crucial nanoscale molecular parameters, including mode energies, anharmonicities ($x_e$), dissociation energies ($D_e$), and local environment reorganization energies ($E_r$). These parameter-dense noise signatures act as a unique molecular fingerprint, establishing noise spectroscopy as a highly sensitive platform for chemical sensing and discrimination in advanced
quantum devices.
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Materials Science
Pyroelectric and electrocaloric properties of core-shell HfxZr1-xO2 nanoparticles: theory and experiment
Anna N. Morozovska, Oleksandr S. Pylypchuk, Nicholas V. Morozovsky et al. (+2 more)
Nanosized hafnia-zirconia (HfxZr1-xO2) in the form of thin films, multilayers, and nanoparticles is one of the most promising CMOS-compatible ferroelectric materials for advanced electronic
memories and logic devices. Using the Landau-Ginzburg-Devonshire free energy functional with trilinear and biquadratic couplings of polar, nonpolar, and antipolar order parameters, we analyze the pyroelectric and electrocaloric properties in an ensemble of spherical core-shell HfxZr1-xO2 nanoparticles. To test the theoretical model, we experimentally measured the temperature dependence of the electric charge accumulated in pressed powders consisting of oxygen-deficient core-shell Hf0.5Zr0.5O2 nanoparticles with an average size of 7 nm. The observed temperature-dependent behavior of the accumulated charge and its derivative are in qualitative agreement with the calculated polarization and pyroelectric coefficient for the ensemble of densely packed spherical core-shell HfxZr1-xO2 nanoparticles; this suggests that the theoretical model captures the physical mechanisms responsible for the experimentally observed charge accumulation. The combined theoretical and experimental results provide a physical foundation for the future development of CMOS-compatible HfxZr1-xO2 nanoparticles for pyroelectric and electrocaloric applications.
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All authors Anna N. Morozovska, Oleksandr S. Pylypchuk, Nicholas V. Morozovsky, Eugene A. Eliseev, Dean R. Evans
Strongly Correlated Electrons
Neural Polaron: Learning Quasiparticle Operators in Quantum Many-Body Systems
Shang-Shun Zhang
Understanding dynamical properties of
quantum many-body systems remains a central challenge because excitations generally require information beyond a ground-state wave function. Here we introduce a neural polaron ansatz that represents quasiparticle excitations by neural many-body operators acting on a correlated ground state. Instead of learning an independent excited-state wave function, the method parameterizes a local dressing operator through a compact neural head defined on the feature map of a pretrained ground-state network. This operator-based construction builds in translation
symmetry, momentum resolution, and quasiparticle locality, while separating ground-state correlations from excitation-specific dressing. We
benchmark the method on the square-
lattice $J_1$-$J_2$ Heisenberg model, where it accurately reproduces
magnon dispersions and spectral weights over a broad range of frustration. In particular, it captures nontrivial many-body features including the $(\pi,0)$ anomaly and its progressive softening with increasing $J_2/J_1$. These results establish neural operators as a physically transparent route for extending neural
quantum states from ground-state properties to dynamical response.
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Materials Science · Cross-listed from cs.CE
A phase-field model for microbiologically influenced corrosion
S. Kovacevic and E. Martínez-Pañeda
A phase-field-based reaction-
diffusion corrosion model is developed to predict microbially influenced corrosion (MIC) in metal
alloys, with a focus on anaerobic conditions and sulfate-reducing bacteria (SRB). The formulation couples microbial sulfate reduction, sulfate transport, electrochemical kinetics, material dissolution, and mechanical effects. Microbial activity is modelled using a Monod-type expression for sulfate consumption, whereas the mechano-chemical coupling is incorporated through an enhanced mobility relationship that captures the influence of mechanical fields on corrosion kinetics. The model is calibrated against experiments and shows strong agreement in predicting pitting kinetics under SRB activity. Sensitivity analyses quantify the competing roles of microbial kinetics, transport, and thermodynamic driving forces in governing corrosion behaviour. The capability of the formulation to capture both MIC-induced pitting and stress-assisted corrosion across multiple length scales is demonstrated through case studies that include microstructure-sensitive simulations and structural-scale coupling with a cathodic protection (CP) model. Results show that finer grain sizes reduce pitting severity but promote faster defect propagation under mechanical loading. At the structural scale, coupling with the CP model enables predictions of defect growth under varying electrochemical conditions and over engineering-relevant length scales, as exemplified with the analysis of an offshore wind turbine monopile. CP delays pitting and suppresses crack propagation, although its effectiveness diminishes as sacrificial anodes degrade. The framework provides a predictive and computationally efficient tool for assessing MIC-induced damage over extended times, with potential applications in the integrity and life assessment of metallic structures operating in aggressive microbial environments.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.optics
Integrated Whispering-Gallery Microlaser-Waveguide Platform for On-Chip Electrical Excitation of InGaAs Quantum Dots
Léo J. Roche, Peter Gschwandtner, Chirag C. Palekar et al. (+6 more)
We report the fabrication and characterization of an integrated
quantum photonic device consisting of an electrically driven whispering-gallery-mode micropillar
laser evanescently coupled to a ridge waveguide, both incorporating InGaAs
quantum dots (QDs). The lasing characteristics of microlasers are systematically investigated as a function of the pillar-waveguide gap distance. Coherent emission from the whispering-gallery-mode microlaser coupled into the waveguide enables on-chip optical excitation of QDs embedded in an electrically contacted micropillar at the end of the waveguide. Under continuous-wave on-chip excitation, we observe single-
photon emission with $g^{(2)}(0) = (3.49 \pm 0.01) \%$ for a QD integrated in the outcoupling micropillar which can be spectrally tuned-by the
quantum confined Stark effect. These results constitute an important step toward low-footprint, deterministic, and scalable single-
photon sources for QD-based integrated
quantum photonic
circuits.
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All authors Léo J. Roche, Peter Gschwandtner, Chirag C. Palekar, Setthanat Wijitpatima, Yuhui Yang, Monika Emmerling, Sven Höfling, Tobias Huber-Loyola, Stephan Reitzenstein
Mesoscale and Nanoscale Physics · Cross-listed from cs.AR
Multi-Level Resistive Synapses for On-Chip Neural Networks: A Physics-Based Design of a Memristive Crossbar Fabric with Quasi-Continuous Conductance States
David Alejandro Trejo Pizzo
Building on resistive communication, this paper presents a physics-based design of an on-chip neural network with multi-level memristive synapses supporting a dense spectrum of conductance states. Derived from ionic transport physics, we develop a state-variable model and quantify storable sub-levels under thermal noise, drift, and quantized conductance. We assemble these devices into a 1T1R crossbar fabric, derive the linear
algebra of analog vector-
matrix multiplication (VMM) under wire resistance, and design a differential synapse for signed weights. A multilayer pipeline executes inference, backpropagation, and weight updates physically in the analog domain. We derive the in-situ outer-product learning rule, its discretization onto the conductance
lattice, and the resulting quantization noise. We provide energy, area, capacity, and inter-tile models, showing this substrate is ideally suited for large
language models (LLMs). Our design eliminates weight movement, surpassing binary ReRAM and traditional CMOS. We detail the material stack (HfO_2-based), the FEOL/BEOL CMOS foundry-integration flow, a self-contained SPICE model, the complete memristive-FPGA neuromorphic system, and an in-
memory self-
attention engine with current-mode translinear softmax. Finally, a ternary BitNet datapath shows projected per-
token efficiency orders of magnitude better than advanced CPUs or GPUs. The result is a self-contained hardware-native blueprint for a high-density, analog, in-
memory neural processor.
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Mesoscale and Nanoscale Physics
Hysteresis-Driven Radiative Mpemba Effect in Phase-Change Nanostructures
Florian Herz
The Mpemba effect states that initially hotter systems cool faster than colder ones. While known in convective, conductive, and
quantum systems, its radiative analogue is unexplored. Here, this anomaly is realized via phase-change hysteresis of a VO$_2$ nanoparticle near a SiC substrate. After analytically deriving an onset condition, the phase space is mapped. Crucially, latent heat acts as a thermal buffer enabling both ordinary and inverse effects. Near-field coupling governs the relaxation time and enables a passive effect where
memory is stored externally via substrate reflection.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.optics
Effusivity-Controlled Interfacial Thermal Transport Revealed by Nanoscale Optical Thermometry
Adarsh B Vasista, Anita Kumari and Yash P. Mhaske
Quantitative imaging of heat transport with high spatial and temporal resolution is essential for understanding thermal processes in heterogeneous systems, yet direct measurements of transient temperature fields at material interfaces remain challenging. Here, we employ time resolved thermal optical diffraction
tomography (thermal ODT), a label free nanoscale optical thermometry technique that reconstructs spatio-temporal
evolution of three dimensional temperature fields from thermally induced refractive index changes. We show that thermal
diffusion along an interface is controlled by their thermal effusivity contrast. We also derive an effective interfacial diffusivity that accurately describes the lateral propagation of thermal fields and validate the model through finite-element simulations across a broad range of
liquid-glass interfaces. Surprisingly,
liquids with lower bulk thermal diffusivities exhibit faster interfacial thermal spreading due to their lower effusivities. The measured diffusivities agree quantitatively with theoretical predictions over diverse material combinations. By combining volumetric thermal imaging with a general framework for interfacial heat transport, our work establishes thermal ODT as a powerful platform for investigating nanoscale thermodynamics and engineering heat flow in heterogeneous environments.
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Statistical Mechanics · Cross-listed from quant-ph
Hierarchy of mixed symmetry protected topological states in extended cluster states under subsystem decoherence
Yoshihito Kuno and Takahiro Orito
We study the effect of subsystem decoherence to an extended cluster state which is a
symmetry protected topological (SPT) phase. The model includes many subsystem $Z_2$
symmetries. We report that subsystem decoherence induces local charge fluctuations, leading to a mixed SPT state in the unaffected subsystems. If we start from the extended cluster state, hierarchical mixed-state SPT phases emerge in response to step-by-step subsystem decoherences. These mixed-state SPT phases keep strong
symmetries the
symmetry of which is protecting
symmetries for the initial cluster SPT. Moreover, these SPTs can be characterized by Rényi-2 string orders. Then, as the subsystems are progressively decohered, the hierarchy of mixed-state SPT phases terminates in a $Z_2$ strong-to-weak spontaneous
symmetry breaking (SWSSB) state on the final remaining subsystem, where a long-range entangled state appears, namely a glassy Greenberger-Horne-Zeilinger (GHZ) state. Our work demonstrates that decoherence is not merely a destructive process, but can induce and organize series of nontrivial mixed-states. This reveals a systematic route from mixed-state SPT order to SWSSB with the glassy GHZ-type long-range
entanglement.
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Quantum Gases
Formation and dynamics of self-bound droplets in dipolar molecular condensate
Xinyi Tang, Tianmiao Zhang, Zibin Zhao et al. (+5 more)
We study self-bound
quantum droplets in the regime dominated by microwave-induced non-axisymmetric dipole-dipole interactions, using the extended Gross-Pitaevskii equation with the Lee-Huang-Yang corrections. We identify the existence region through numerical simulations and employ an anisotropic Gaussian-super-Gaussian variational ansätz to capture the characteristic density profile of the droplets, with a Gaussian profile along the narrow $x$ direction and super-Gaussian profiles in the extended $(y,z)$ plane. Within this variational framework, we characterize the self-binding, spatial localization, and density-compression properties of the droplets and find good agreement between the variational predictions and the numerical results. Collisions between droplets moving along different directions reveal a strong directional dependence, with outcomes ranging from quasi-elastic rebound and merger to fragmentation. In addition, we explore the rotational dynamics of a single self-bound droplet about all three Cartesian axes, revealing rich and controllable three-dimensional rotational dynamics. Together, these results demonstrate how non-axisymmetric dipolar interactions provide versatile means for controlling the translational, collisional, and rotational dynamics of self-bound
quantum droplets.
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All authors Xinyi Tang, Tianmiao Zhang, Zibin Zhao, Guilong Li, Zhaopin Chen, Bin Liu, Boris A. Malomed, Yongyao Li
Mesoscale and Nanoscale Physics
Quantum Metric Bound State of Light
Jinchao Zhao, Rongning Liu, Xue-Yang Song et al. (+1 more)
The spatial confinement of defect-induced bound states is conventionally governed by the effective mass in dispersive bands. More recently, Compact Localized States (CLSs) arising from exact destructive interference have been utilized to achieve confinement in flat bands. However, CLSs rely on pristine
lattice symmetries and fine-tuned defect profiles. The introduction of a generic local
impurity inevitably breaks these strict phase-matching conditions, resulting in extensive bound states whose fundamental length scale has remained an open question. Here, we establish a third regime of confinement: the
quantum metric bound state. We provide a rigorous mathematical proof demonstrating that in the absence of kinetic energy and CLS protection, the exponential decay length of these states is lower-bounded by the
quantum metric of the unperturbed flat band. We demonstrate the tightness of this
geometric limit by constructing a family of highly tunable flat-band generators, and we verify its universality across diverse realistic architectures. Ultimately, this classification establishes the independently measurable
quantum metric as a predictive design principle for engineering confined modes in synthetic wave platforms.
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All authors Jinchao Zhao, Rongning Liu, Xue-Yang Song, K.T. Law
Materials Science · Cross-listed from math.AP
A Classical Elliptic Regularity Approach to Almost Harmonic Maps and Related Systems
Giovanni Di Fratta
We develop an abstract regularity framework for a class of two-dimensional nonlinear
elliptic systems, including almost harmonic maps. The approach combines a Campanato-type iteration scheme with a Caccioppoli-type estimate and identifies general assumptions under which local Hölder continuity follows. More precisely, we prove that any class of admissible pairs $(u,f)$ that is stable under rescaling and satisfies an oscillation-decay property consists of locally Hölder continuous maps. The resulting Hölder exponent is explicit and matches the classical Morrey–Campanato threshold determined by the Lebesgue integrability of the source term $f$. The framework is purely analytic and avoids the use of $\mathcal{H}^1$–$\mathrm{BMO}$ duality, Wente's inequality, moving frames, and conformal uniformization. We illustrate the flexibility of the framework through several classes of
elliptic systems. As a first example, we recover local Hölder continuity for almost harmonic maps \[ -\Delta u=|\nabla u|^2u+f \] into $\mathbb{S}^n$ with $L^q$-integrable tension fields by means of a direct argument independent of the classical harmonic map regularity theory. We next consider systems of the form \[ -\Delta u=\Omega\cdot\nabla u+f, \] showing that the analytic condition $\operatorname{div}\Omega\in L^q$ for some $q>1$ is sufficient to ensure regularity (for classical harmonic maps, $\operatorname{div}\Omega=0$). We further apply the framework to...
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Statistical Mechanics · Cross-listed from q-bio.QM
Kinetics of multistate DNA polymerases
Pierre Gaspard
In the present paper, we apply the iterative mathematical method previously developed for the kinetics of template-directed multistate copolymerization to the kinetics of DNA replication by polymerases having multiple structural states. In particular, we study a two-state kinetic model for the T7 DNA polymerase. We obtain the mean velocity for the growth of the copy along the template, the error probability of DNA replication by the polymerase, and the local probabilities of base-pair formation along the template sequence. Furthermore, we show that the iterative method is more than a million times faster than usual numerical simulation methods. Results are also obtained in the approximation of homogenization of template heterogeneities.
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Statistical Mechanics · Cross-listed from q-bio.QM
Kinetics of template-directed multistate copolymerization
Pierre Gaspard
We consider processes of template-directed multistate copolymerization by molecular machines such as polymerases or ribosomes, having multiple states of conformation or activation. We show that the kinetic equations of these processes can be exactly solved for the mean growth velocity, the sequence probabilities of the grown copy, and the local probabilities and fractions of monomeric units in the copy. Asymptotically, in the long-time limit, the kinetic equations are solved with a
matrix factorization ansatz in terms of a backward iteration, forming an iterated
matrix function system, and a complementary forward iteration, both running along the template sequence. The iterative method is very significantly faster than usual computational methods, as demonstrated with a numerical example.
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Soft Condensed Matter · Cross-listed from physics.bio-ph
Data-driven geometric phase in biological locomotion
Pyae Hein Htet and Kenta Ishimoto
Geometric phase quantifies net locomotion in dissipative media via gauge theory, but linking this theoretical quantity to noisy, sparse, and weakly periodic biological shape data is challenging. We develop a theory-guided, data-driven Koopman autoencoder to recover the limit cycle embedded in imperfect cyclic data and extract shape gaits and
geometric phase from sperm and nematode data. We introduce a
geometric phase sensitivity function that quantifies responses to shape perturbations and reveals mechanical information using only gauge-theoretic structure, without assuming mechanical laws.
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Materials Science · Cross-listed from cs.AI
SVGym (SciVerseGym): An Environment for Reinforcement Learning and Bayesian Optimization in Crystal Discovery
Bin Cao
Machine-learned interatomic potentials now enable efficient atomistic evaluation for interactive materials discovery, yet closed-loop
crystal search methods remain fragmented across bespoke pipelines for editing, relaxation, scoring, constraints, and bookkeeping. We introduce SciVerseGym, a Gymnasium-compatible environment for sequential
crystal discovery that frames
crystal design as a Markov decision process.
Agents observe an atomistic structure, apply chemically meaningful edits, and receive feedback from a configurable evaluator. SciVerseGym supports local and global actions, including elemental substitution,
lattice perturbation, atomic displacement, vacancy creation, and atom insertion, along with configurable chemical spaces, structure pools, atomistic and graph-based observations, custom rewards, optional relaxation, and stability or
phonon-related diagnostics. Each step applies an edit, evaluates the candidate using a machine-learned interatomic potential or any ASE-compatible calculator, and returns the standard (obs, reward, terminated, truncated, info) tuple. By decoupling
agent logic from materials infrastructure, SciVerseGym provides an open, reproducible, and extensible testbed for reinforcement learning,
Bayesian optimization, evolutionary search, and
language-
agent workflows in closed-loop
crystal discovery. Code is available at: https://github.com/Bin-Cao/SciVerseGym.
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Statistical Mechanics
Perturbative Renormalization and Universality Diagram for Long-Range Quantum Criticality
Zhiyi Li, Zhijie Fan, Kun Chen et al. (+1 more)
Experimental progress in
quantum simulators highlights the role of long-range (LR) interactions in reshaping
quantum criticality and stabilizing exotic phases beyond the short-range (SR) paradigm. We study
ferromagnetic long-range
quantum $O(n)$ models with interactions decaying as $1/r^{d+\sigma}$ and develop a perturbative renormalization-group expansion around the LR–SR boundary by setting $d=3-\epsilon$ and $\sigma=2-\delta$. In this parametrization, the full interacting LR window $2d/3<\sigma<2$ becomes $0<\delta<2\epsilon/3$, and is therefore perturbatively controlled. A two-loop calculation yields explicit expressions, in terms of $\epsilon$, $\delta$, and $n$, for the correlation-length exponent $\nu$ and for the frequency and momentum anomalous dimensions $\eta_\omega$ and $\eta_k$. The resulting exponents reduce to long-range Gaussian scaling at $\sigma=2d/3$ and to SR
quantum Wilson-Fisher scaling in the $\sigma \to 2$ limit, thereby identifying $\sigma_*=2$ as the LR–SR boundary within the controlled $3-\epsilon$ expansion. Combining the RG results with scaling boundaries and classical LR analogies, we propose a $(d,\sigma)$ universality diagram for
ferromagnetic long-range
quantum $O(n)$ criticality and use it as an organizing framework for the phase diagram of long-range
quantum spin chains.
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All authors Zhiyi Li, Zhijie Fan, Kun Chen, Youjin Deng
Disordered Systems and Neural Networks
Percolation of Zero-Weight Paths and the Shape of the Phase Boundary in the Two-Dimensional Random-Bond Ising Model
Amirhossein Manouchehri and Kirill Shtengel
We explore the connection between the low-temperature boundary of the
ferromagnetic phase in the two-dimensional $\pm J$ random-bond Ising model, where
antiferromagnetic bonds occur with probability $p$ and a
geometric transition dubbed “zero-weight percolation”. We argue that the onset of this percolation characterized by the emergence of a percolating path containing an equal number of $+J$ and $-J$ bonds is incompatible with
ferromagnetic ordering. Due to its purely geometrical nature, this percolation criterion is a property of a disorder realization and is independent of the temperature, which in turn suggests that the
ferromagnetic phase boundary is vertical below the Nishimori point in the $(p,T)$ plane. Using a dynamic-programming
algorithm combined with finite-size scaling, we identify the critical disorder at which zero-weight paths first percolate as $p_c = 0.1000(2)$, and we extract the associated critical exponents $\nu = 1.26(1)$, $\beta/\nu = 0.85(1)$, $\gamma/\nu = 0.264(5)$, and fractal dimension $d_f \approx 1.11$. The value of $p_c$ is below the previously reported values of the critical disorder strength corresponding to the loss of the
ferromagnetic order, both at zero temperature and the Nishimori point. Nevertheless, we argue that the percolation transition studied in this paper is behind the loss of ferromagnetism and thus provides a new, purely geometrical perspective on the stability of
ferromagnetic order in disordered
spin systems.
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Materials Science
First-Principles Investigation of Ammonia Adsorption and N-H Activation on W-B Nanoclusters
Anastasiia V. Iosimovska, Mikhail M. Lukanov, Christian Tantardini et al. (+3 more)
Tungsten-boride nanoclusters are nanoscale systems of potential catalytic interest, but their structural stability and reactivity remain poorly understood. We combine evolutionary structure prediction with density functional theory to investigate W$_m$B$_n$ nanoclusters containing up to 43 atoms. The calculated stability descriptors reveal a strongly non-monotonic landscape, with several compositions locally favoured relative to neighbouring stoichiometries within the explored isolated-cluster model. Molecular NH$_3$ adsorption was examined at W-top and accessible B-top sites, with adsorption energies ranging from $-1.78$ to $-0.54$ eV on W sites and from $-1.54$ to $+0.62$ eV on B sites. H adsorption at W-top and B-top sites spans $-1.47$ to $+0.67$ eV, indicating pronounced composition- and site-dependence. CI-NEB calculations show that the first N-H bond-cleavage barrier is strongly pathway-dependent. These results characterize the initial activation of NH$_3$ on W-B nanoclusters and provide an atomistic basis for further investigation of the complete ammonia-decomposition mechanism.
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All authors Anastasiia V. Iosimovska, Mikhail M. Lukanov, Christian Tantardini, Alexander S. Novikov, Viktor S. Baidyshev, Alexander G. Kvashnin
Mesoscale and Nanoscale Physics
Second-order dc conductivity in the velocity-gauge Keldysh formalism: gauge-invariant decomposition into nonlinear Drude, Berry-curvature-dipole, and quantum-metric responses
Junya Shibata
We derive a gauge-invariant clean-limit decomposition of the second-order dc nonlinear conductivity in multiband tight-binding systems within the velocity-gauge Keldysh Green's function formalism. In the constant-relaxation-time approximation, the dc response separates into four contributions with distinct lifetime $\tau$ scalings and physical origins: the nonlinear Drude term $\sigma^{\mathrm{ND}}_{ijk}\propto\tau^{2}$, the Berry-
curvature-dipole term $\sigma^{\mathrm{BCD}}_{ijk}\propto\tau$, the intraband
quantum-metric-dipole term $\sigma^{\mathrm{intra\text{-}QMD}}_{ijk}\propto\tau^{0}$, and the interband
quantum-metric-dipole term $\sigma^{\mathrm{inter\text{-}QMD}}_{ijk}\propto\tau^{0}$. The intraband term is a
Fermi-surface dipole of the ordinary band
quantum metric, while the interband term is written, in the present representation, as a
Fermi-sea-type response involving a band-normalized
quantum metric. Working entirely within the velocity-gauge Keldysh–Kubo framework, we show that all connection-dependent commutator terms generated in the band-basis expansion cancel exactly between the covariant-
quantum-connection sector $\sigma^{\mathcal{C}}_{ijk}$ and the three-Berry-connection sector $\sigma^{\mathcal{T}}_{ijk}$, making the role of the Peierls contact velocity vertices $V_{ij}$ and $V_{ijk}$ explicit; a complementary projector-based derivation appears in Ulrich et al., Phys. Rev. B 113, L201107 (2026), and our
Fermi-surface dc-limit expression agrees with that reference after accounting for index and convention differences. As a diagnostic illustration, we introduce a real two-band model in which the Berry
curvature and hence the BCD response vanish identically while the intraband
quantum-metric dipole remains finite, establishing a practical route to
quantum-metric dc responses not reducible to the Berry-
curvature-dipole mechanism.
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Materials Science
Lattice-renormalized geometric frustration drives fast ionic transport
Jianmin Yang and Lin Xie
Fast ionic transport is commonly understood from two complementary perspectives: soft
lattices that facilitate ion migration, and frustrated ionic sublattices that host multiple nearly degenerate configurations. Here, we show that the host
lattice and ionic
geometric frustration are fundamentally coupled, and together shape a
lattice-renormalized free-energy landscape that unifies these two perspectives. Starting from a coupled ion-
lattice Hamiltonian and eliminating the adiabatic
lattice response, we derive a configuration-dependent free-energy renormalization that takes a quadratic form of the ionic configurational forces weighted by the inverse stiffness of the host
lattice. In a coarse-grained representation, this renormalization decomposes into local
lattice relaxation and non-local interference between
lattice-response fields. These two contributions reshape local ionic configurations and their correlations, thereby redistributing the configurational statistical weights underlying collective ionic transport. Atomistic simulations of cubic Li$_7$La$_3$Zr$_2$O$_{12}$ and AgCrSe$_2$ substantiate this physical picture, from microscopic configurational rearrangements to macroscopic
diffusion dynamics. This framework therefore recasts fast ionic transport as a
lattice-renormalized
geometric frustration problem, in which
lattice softness, ionic frustration, and collective
diffusion all arise from the same underlying landscape.
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Disordered Systems and Neural Networks · Cross-listed from physics.optics
Structural and physical properties of gyromorphs and disordered stealthy hyperuniform media
Murray Skolnick, Riccardo Franchi, Luca Dal Negro et al. (+2 more)
Disordered stealthy hyperuniform materials combine
liquid-like statistical isotropy with
crystal-like homogeneity, suppressed density fluctuations at large length scales, bounded holes, and an isotropic structure factor that vanishes for a finite range of wavevectors. This combination yields unusual physical properties, including optical transparency, effective delocalization, ultrafast spreadability, optimal conductivity, and complete isotropic photonic bandgaps. Gyromorphs, point patterns whose structure factor includes rings of Bragg-like peaks arranged with discrete $G$-fold rotational
symmetry, were recently introduced as counterexamples: disordered media that can somehow achieve the same physical properties, in some cases with higher performance, without stealthiness or hyperuniformity. In this paper, we resolve the puzzle of how gyromorphs fit consistently with the stealthy hyperuniform studies. We first show that gyromorphs are actually hyperuniform and, in the large-$G$ limit where they become nearly isotropic, belong to the weakest form of hyperuniformity, known as Class III. Thus, gyromorphs should have comparatively degraded physical properties compared to stealthy hyperuniform media, which belong to the strongest form of hyperuniformity, known as Class I. We verify this expectation using the rigorous spectral Green's
matrix method for the calculation of the density of states (DOS) and Purcell factors in large arrays of electric dipoles. We find that gyromorphs display size-dependent pseudogaps richly populated by localized states rather than smooth band gaps like those found for highly stealthy hyperuniform materials or in deterministic structures such as Vogel spiral and triangular
lattices. Furthermore, we predict similar disorder-induced degradation relative to stealthy hyperuniformity with regard to transparency, spreadability and
diffusion properties.
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All authors Murray Skolnick, Riccardo Franchi, Luca Dal Negro, Paul J. Steinhardt, Salvatore Torquato
Strongly Correlated Electrons
Pairing-induced Bloch oscillations in an interacting Kitaev chain
E. S. Ma and Z. Song
We study the peculiar dynamics of the Kitaev chain induced by nearest-neighbor (NN) interaction. We show that a strong NN interaction suppresses single-particle hopping but enhances pairing, resulting in a Wannier-Stark ladder. Based on the
spin-
fermion correspondence at the
symmetry point, the model maps to a transverse field Ising model on a zigzag
lattice, providing a clear physical picture and guiding experimental verification. The Wannier-Stark state corresponds to a localized domain wall between
ferromagnetic and
antiferromagnetic phases. It exhibits Bloch oscillation even in the absence of a longitudinal field, in contrast to previous works. Numerical simulations of time-dependent observables verify these conclusions. Our findings provide an example demonstrating emergent Stark many-body localization.
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