Statistical Mechanics
A microscopic heat engine with many hidden variables
Mesfin Asfaw Taye
Microscopic motors are commonly monitored through a single mechanical coordinate, whereas the chemical, conformational, or rotational cycles that sustain their motion remain unresolved. Mechanical stall is defined by the vanishing of the mean observed velocity; this scalar condition, however, does not generally imply thermodynamic reversibility. We analyze an overdamped Brownian motor in which one observed coordinate is coupled to several internal phases through a single shared interaction potential. Because the transmitted force and the reaction torques derive from the same energy, the resulting rank-one reciprocal structure yields an exact pointwise identity between the observed and hidden probability currents. This identity provides an exact expression for the
entropy production at stall for an arbitrary periodic interaction. In particular, a positive current-square dissipation in the mechanical channel, defined from the full stationary state through the coupling-coordinate-resolved local velocity, determines together with the stall load the collective hidden current projected onto the coupling direction. The stationary one-coordinate marginal current nevertheless vanishes identically at stall; consequently, the stationary marginal density and mean displacement current do not determine this dissipation. Hidden currents orthogonal to the coupling direction dissipate without affecting the observed motion and generate an irreducible contribution that cannot be inferred from the rank-one mechanical channel.
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Soft Condensed Matter · Cross-listed from physics.chem-ph
Resolving the Bubble Puzzle: Hydrogen Peroxide Formation Precedes Hydroxyl Radicals in Microbubbles and is Governed by Solid-Water Interfaces
Muzzamil Ahmad Eatoo, Abdul Hamid Emwas, Najeh Kharbatia et al. (+1 more)
An alternative explanation is presented for recent reports that attribute sustained chemiluminescence (CL) and electrochemiluminescence (ECL) from electrogenerated microbubbles on steel or copper electrodes in aqueous luminol solutions (over 2-30 V range) to the spontaneous formation of hydroxyl radicals at the gas-water interface. Our experiments with a broad set of electrodes, viz., steel, copper, aluminium, and platinum, reveal that while microbubbles can be electrogenerated on all electrodes, CL is exhibited by steel and Cu only and not by Al and Pt. These observations establish that the gas-water interface of microbubbles is not the site for hydroxyl radical generation (else CL would be recorded in all cases). Complementary quantification of H2O2 in these experiments reveals its electrode dependence as follows: Al > Cu > Steel > Pt. This establishes that depending on the electrode, H2O2 forms first, and in some cases, hydroxyl radicals are observed (i.e., where CL/ECL is seen). Experiments with NMR and EPR spectroscopy revealed that: (i) H2O2 formation occurs only when O2 is present in water; and (ii) while steel and copper generate hydroxyl radicals through 1-electron reduction of H2O2, Al does not promote one-electron reduction of H2O2 to generate hydroxyl radicals, and Pt preferentially promotes disproportionation of H2O2 to H2O and O2. In fact, we demonstrate that H2O2 and hydroxyl radicals can be observed at specific metal-water interfaces even without microbubbles, confirming that the solid surface is the reactive site. Therefore, this work affords electrode-based predictions of whether or not electrogenerated microbubbles would yield CL in luminol solutions and calls into question the notion of spontaneous formation of hydroxyl radicals at gas-water interfaces.
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All authors Muzzamil Ahmad Eatoo, Abdul Hamid Emwas, Najeh Kharbatia, Himanshu Mishra
Materials Science · Cross-listed from cs.IR
Dual-Level Atomic and Coordination Geometry Learning for Crystal Property Prediction Using Graph Neural Networks
Sanjay Chakraborty
Accurate prediction of
crystal properties remains a key challenge in computational materials science. While graph neural networks (GNNs) such as CGCNN, MEGNet, ALIGNN, and SchNet have shown strong performance, they primarily represent
crystals at the atomic level and implicitly learn local chemical environments through message passing. However, many material properties are governed by coordination polyhedra, the fundamental structural units formed by atoms and their neighboring atoms. To address this limitation, we propose the Coordination Polyhedron Graph Network (CPGN), a multi-scale GNN that jointly learns atomic, bond, and coordination-polyhedron representations. CPGN constructs three coupled graphs: an atom graph encoding elemental and bonding information, a line graph capturing angular interactions, and a coordination polyhedron graph describing Voronoi-derived local environments through corner-, edge-, and face-sharing relationships. Physically meaningful
geometric descriptors are incorporated for each polyhedron, while an interleaved message-passing mechanism with bidirectional cross-
attention enables effective information exchange across structural levels. Extensive evaluations on the Materials Project, JARVIS-DFT, and QM9
benchmark datasets demonstrate that CPGN outperforms existing state-of-the-art GNN models. It achieves a formation-energy MAE of 0.060 eV/atom and a band-gap MAE of 0.292 eV on the Materials Project, while providing competitive multi-property prediction on JARVIS-DFT and superior HOMO prediction on QM9. The results highlight that explicit modeling of coordination polyhedra improves
crystal representation learning and enables accurate, physically interpretable prediction of material properties.
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Strongly Correlated Electrons
AIMS: an AI experimentalist turns uncertainty into quantum matter discovery
Siyuan Qiu, Philip D. Suh, Nhat Huy Tran et al. (+13 more)
Most AI
agents act only after scientists have defined the task. Discovery is harder under practical uncertainties: the probe may not be where it is expected, the signal may occupy only a small region of a disordered sample, and the evidence may not distinguish among competing explanations. Here we show that an AI
agent can decide what evidence an uncertain experiment needs next, and act on it. Beyond automation, AIMS, an uncertainty-aware experimentalist for cryogenic microwave impedance microscopy, quantifies uncertainty where it originates, in perception, sampling, and interpretation, and converts each into its own corrective action rather than a single confidence score. Given only an open objective, AIMS relocated a probe lost during cooldown while flagging its own unreliable estimates, mapped twist angle disorder to locate the strongest correlated states in twisted
bilayer MoSe$_2$, and uncovered a paradox: the half-filled stripe that classical theory predicts should melt first survived longest. Distinguishing an incomplete model from a wrong mechanism, AIMS commissioned a beyond-mean-field calculation and an independent structural measurement as the decisive tests, revising its interpretation as each arrived:
quantum motion reverses the classical hierarchy, stabilizing the half-filled stripe while destabilizing its neighbors. These uncertainty-to-action loops are generic to scanning probe experiments, and AIMS turns uncertainty from an obstacle into a driver of discovery.
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All authors Siyuan Qiu, Philip D. Suh, Nhat Huy Tran, Xirui Wang, Heonjoon Park, Kutay Akin, Kevin K. S. Multani, Seungwon Jung, Wenkai Cai, Xinyu Liu, León Garcia, Ziyan Zhu, Chunjing Jia, Zhantao Chen, Zhixun Shen, Zhurun Ji
Mesoscale and Nanoscale Physics · Cross-listed from physics.optics
Robust Fano-like Antiresonances in Large-Area Au-coated Ag-Nanoisland Ensembles
Valeria Nocerino, Francesca Di Carlo, Bruno Miranda et al. (+3 more)
We report robust Fano-like spectral profiles in substrate-supported Au-coated Ag nanoislands fabricated by solid-state dewetting followed by Au overgrowth. Combining electrostatic modal analysis, full-wave simulations, and linear transmission spectroscopy, we investigate the origin of these profiles, their tunability, and their robustness against morphological disorder. Increasing the Au coating thickness progressively red-shifts the low-energy resonance and transfers spectral weight to it from the high-energy resonance, whereas the Fano-like antiresonant dip undergoes a limited spectral displacement. The electrostatic modal analysis identifies this dip as the signature of destructive interference between superradiant and subradiant hybridized modes, and its weak spectral
evolution is consistently reproduced by theory, simulations, and experiments. These results establish Au-coated Ag nanoislands as a scalable, lithography-free platform for engineering robust yet tunable Fano-like optical responses accessible through standard far-field spectroscopy.
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All authors Valeria Nocerino, Francesca Di Carlo, Bruno Miranda, Luca De Stefano, Principia Dardano, Carlo Forestiere
Strongly Correlated Electrons
Stroboscopic stability of a Floquet chiral spin liquid beyond the folding frequency
Didier Poilblanc
We study the two-step Floquet dynamics of the
chiral $J_1$-$J_2$-$K$ Heisenberg model on the $4\times4$
torus, alternating its non-
chiral Heisenberg part $H_{AF}$ and its
chiral plaquette part $H_K$, at a parameter point where the static model hosts a quasi-degenerate, spectrally isolated
chiral-
spin-
liquid (CSL) topological doublet. The one-period propagator is computed exactly in all
symmetry sectors. Decreasing the frequency, the doublet survives the drive far beyond the frequency $\omega_{res}\simeq 11.5 J_1$ at which folded states first cross it in quasienergy: the time-averaged energy of the Floquet eigenstates, which orders the folded spectrum, shows that the doublet remains the isolated bottom of the spectrum down to $\omega\simeq 6J_1$, while stroboscopic time
evolution over thousands of periods shows no heating for $\omega\gtrsim\omega_{res}$ and only slow absorption below. The quasienergy resonances of the folded regime are invisible in the average energy, identifying them as parametrically weak avoided crossings. We argue that this mechanism, stability controlled by local energy scales rather than by the extensive many-body bandwidth, is of the type expected to survive in the thermodynamic limit, where a prethermal Floquet CSL should persist for $\omega$ above a threshold set by local scales, with heating times exponentially long in $\omega/J_1$, a
conjecture that larger clusters can now test. Consistently, the optimal $D=3$
chiral PEPS of the static problem still describes the driven doublet deep in the folded regime, with an essentially unchanged local tensor. Finally, we show that the drive is realizable on existing
quantum simulators, via an explicit digital pulse sequence of XY-type two-
spin gates on the four bond colours of the square
lattice, with an infidelity of $1.5\times10^{-5}$ per period.
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Mesoscale and Nanoscale Physics
Observation of Critical Current Minimum in Super-Honeycomb Josephson Junction Arrays
Melissa Mikalsen, Alexander-Georg Penner, Samuel D. Escribano et al. (+5 more)
Superconductor-
semiconductor Josephson junction arrays are a uniquely tunable platform for studying collective
quantum phenomena, particularly in the regime where localized Andreev bound states can hybridize across the
lattice when the physical separation between adjacent junctions is smaller than their coherence length ($\xi_{\text{ABS}}>d_{\text{JJ}}$). Here, we investigate three distinct Al-InAs Josephson junction arrays: a square array and super-honeycomb array fabricated within this ${\xi_{\text{ABS}}>d_{\text{JJ}}}$ regime, as well as a larger-spacing super-honeycomb control device designed such that $\xi_{\text{ABS}}\lesssim\!~d_{\text{JJ}}$. Under an out-of-plane field, critical current peaks emerge at rational filling factors, reflecting stable
vortex configurations in the
lattices. In the super-honeycomb
lattice,
vortices localize to distinct non-identical plaquettes at different filling factors, as predicted by frustrated XY model simulations. A rotating in-plane field yields periodic critical current oscillations that reflect the Rashba
spin-orbit coupling inherent to the InAs
quantum well. Surprisingly, at $f = 1$, the closely spaced super-honeycomb array exhibits a distinct critical current minimum as the magnitude of the in-plane field increases, a signature absent in the square array and large-spacing super-honeycomb array. These results indicate that this signature is jointly influenced by the unique geometry of the super-honeycomb
vortex lattice and by long-range inter-junction hybridization.
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All authors Melissa Mikalsen, Alexander-Georg Penner, Samuel D. Escribano, Nadav Drechsler, Arunav Bordoloi, Jacob Issokson, Yuval Oreg, Javad Shabani
Materials Science
Phase nucleation, coarsening and evolution pathways of a sputtered nanostructured Inconel 725 alloy during heat treatment
Ruqing Cao, Ikponmwosa J. Iyinbor, Andrea M. Hodge et al. (+1 more)
Physical vapor deposition enables the fabrication of nanostructured superalloys with unique defect architectures, yet their phase
evolution pathways can differ significantly from those of conventionally processed
alloys. In this study, the effects of solution and aging treatments on phase selection and precipitation behavior in sputtered Inconel 725 films with an initially uniform columnar nanotwinned structure were systematically investigated. Direct aging at relatively low temperatures promoted extensive {\delta}-phase precipitation at twin boundaries and defect-rich regions, which depleted Nb from the {\gamma}
matrix and suppressed {\gamma}'/{\gamma}" precipitation. In contrast, high-temperature solution treatment induced recrystallization and eliminated the nanotwinned structure, significantly reducing {\delta}-phase precipitation and increasing Nb availability to enable the formation of ultrafine spherical {\gamma}'/{\gamma}" precipitates within a refined {\gamma}
matrix (<1 {\mu}m). Subsequent aging treatments promoted elemental partitioning and drove the morphological
evolution of {\gamma}'/{\gamma}" precipitates from spherical to lenticular forms, while {\delta} precipitation became increasingly concentrated along grain boundaries. This spatial separation of intragranular {\gamma}'/{\gamma}" and grain-boundary {\delta} phases enabled simultaneous precipitation strengthening and grain stabilization, resulting in hardness values approaching 9 GPa. As a whole, this study demonstrates that the initial templates provided by defect structures can govern phase selection and precipitation pathways, providing a strategy for tailoring microstructure and achieving synergistic strengthening in nanostructured superalloys.
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All authors Ruqing Cao, Ikponmwosa J. Iyinbor, Andrea M. Hodge, Timothy J. Rupert
Materials Science
Instability-Avoiding Active Learning for Cluster Expansions in Complex Multielement Materials
Michael J. Waters and James M. Rondinelli
The high efficiency of cluster expansions make them appealing for studying chemical disorder in complex composition spaces such as in multi-principal element
alloys (MPEAs). Several works have attempted to address the rapidly growing training cost with number of chemical species through active learning, transfer learning, and chemical
embedding. However, many composition spaces have large regions where the host
lattice becomes dynamical unstable, which are often avoided a priori so as to not generate expensive but inapplicable training data. Here, we demonstrate a procedure for integrating stability classification within an active learning workflow to autonomously avoid calculations for unstable structures. Our workflow augments the stability classification procedure with Mahalanobis distance-based structure selection to ensure model robustness by training set diversification. We
benchmark our methods by training a cluster expansion for the complex FCC MPEA spanning the Ni-Fe-Cr-Al-Ti-Si
alloy space, in which only Ni and Al are thermodynamically stable as FCC
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Materials Science
Bond reconstruction and vacancy clustering in monolayer silicon carbide from first principles
Péter Udvarhelyi
Bond reconstruction in vacancy-related structures affects their formation energies,
symmetries, and electronic and optical properties. Using density functional theory, we investigate bond reconstruction mechanisms of monovacancies and vacancy aggregates in monolayer silicon carbide. Multiple bond descriptors reveal that isolated monovacancies undergo both in-plane reconstruction and out-of-plane distortion, which together shape their stability and electronic structure. For compact vacancy aggregates, we show that bond reconstruction acts as a key stabilization mechanism. However, in carbon monovacancy, reconstruction suppresses optical activity. In contrast, a highly stable aggregate composed of three carbon vacancies surrounding a silicon vacancy emerges as a promising infrared color-center candidate, combining a triplet ground state with a favorable Debye-Waller factor of the emission. These results highlight the role of bond reconstruction in defining the
quantum properties of vacancy defects in two-dimensional silicon carbide.
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Statistical Mechanics
Representation-Dependent Machine Learning of the Isotropic-Nematic Transition in the Lebwohl-Lasher Model
Maninder Kaur, Aojie Xue and David P Landau
Machine-learning detection of phase transitions depends not only on the learning
algorithm, but also on whether the input representation preserves the
symmetries of the system. We examine this for the weak first-order isotropic–nematic transition of the three-dimensional Lebwohl–Lasher model, whose apolar and continuously degenerate nematic phase makes raw molecular configurations a challenging input for unsupervised learning. Principal component analysis (PCA) and a convolutional autoencoder (CAE) fail to identify the transition from raw configurations because rotationally equivalent nematic states can appear far apart in the input space. When the same configurations are transformed into a rotationally invariant local-correlation representation, both methods recover transition-sensitive signatures and bimodal coexistence distributions. A supervised three-dimensional convolutional neural network (CNN), by contrast, accurately predicts the scalar order parameter from raw configurations when given order-parameter labels. The Lebwohl-Lasher model therefore separates unsupervised phase discovery from supervised order-parameter regression and shows that
symmetry-respecting input representations are needed for unsupervised machine learning in orientationally ordered systems.
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Statistical Mechanics · Cross-listed from physics.chem-ph
Stochastic Resetting: A Non-Equilibrium Framework for Prediction, Inference and Design
Tommer D. Keidar, Sagi Meir, Nir Sherf et al. (+4 more)
Stochastic resetting has evolved from a simple model of diffusive search acceleration into a general framework for predicting, inferring, and controlling
stochastic dynamics far from
equilibrium. Its defining features, i.e., the creation of non-
equilibrium steady states and the acceleration of first-passage kinetics, are increasingly relevant across physical chemistry, from biological restart mechanisms to molecular simulations and colloidal experiments. We review the renewal theory underlying
stochastic resetting and show how it enables prediction of reset dynamics from properties of the underlying process, while also allowing the latter to be inferred from the resetting-accelerated dynamics. We then discuss applications to state preparation, enhanced sampling, kinetic inference, and training and sampling of machine learning models. Finally, we review recent advances in adaptive resetting, environmental feedback, many-body dynamics, and thermodynamic costs of resetting. These developments establish new opportunities for controlling
stochastic dynamics with resetting across theory, simulations, and experiments.
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All authors Tommer D. Keidar, Sagi Meir, Nir Sherf, Rémi Goerlich, Shlomi Reuveni, Yael Roichman, Barak Hirshberg
Soft Condensed Matter
The hydrodynamic Euler-elastica: shape transitions in the dynamical buckling of elastic filaments in Stokes flow
Clément Moreau, Laetitia Giraldi and Hermes Bloomfield-Gadêlha
The buckling of elastic filaments in viscous fluids, ubiquitous in biological systems like flagella, microtubules, and DNA, has long been described by the static Euler-elastica. Yet, when such filaments buckle dynamically, their shapes defy static predictions, exhibiting complex, unpredictable behaviours. Here, we use a coarse-grained numerical model to explore the long-timescale dynamics of filament buckling in Stokes flow, revealing three distinct morphological regimes, termed flip, loop, and
knot. The dominance of each regime is primarily governed by the dimensionless buckling number $\mathrm{Bu}$.
Fourier analysis shows that these transitions between shape regimes arise from competition between the first three
curvature modes, with high-order modes decay fitting an exponential law. In some parameter ranges, distinct shapes coexist for close initial conditions, indicating deterministic sensitivity to small perturbations. These findings bridge static and dynamic buckling theories, with implications for biological propulsion and the design of microscale slender swimmers.
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Other Condensed Matter
Quantitative Theory for the Amplitude of Fluorescence Quantum Beats from Geminate Triplet-Pair Fusion
Zachary Rex, Bách Phạm Xuân, Gerald Curran III et al. (+1 more)
We derive the amplitude of
quantum-beats in the fluorescence from geminate triplet-
exciton fusion in rubrene and tetracene from the full set of parameters that characterize triplet
exciton dynamics. We find that the amplitude depends on the fission time in tetracene, but does not do so in rubrene, where it is determined by the dimensionality of triplet transport. Kinetic Monte Carlo simulations reproduce the experimental data in both materials, for a fission time of the order of 200 ps and isotropic triplet transport int tetracene, and for a triplet hopping time along the herringbone axis of 250 ps and anisotropic transport in rubrene.
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All authors Zachary Rex, Bách Phạm Xuân, Gerald Curran III, Ivan Biaggio
Soft Condensed Matter
String Model Predicts Relaxation in Sheared Glass-Forming Liquids
Zi-Long Wang, Qi-Lu Yuan, Yun-Jiang Wang et al. (+4 more)
Understanding how structural relaxation evolves from
equilibrium to nonequilibrium conditions remains a central problem in glass physics. Using simulations of model glass formers under steady shear, we show that the String Model, which links stringlike cooperative rearrangements to relaxation in
equilibrium glass-forming
liquids, predicts the structural relaxation time across the full range of temperatures and shear rates investigated without additional nonequilibrium fitting parameters, when combined with a shear-dependent effective temperature that is captured by a generalized fluctuation-dissipation relation. These results indicate that
equilibrium and nonequilibrium relaxation are governed by the same underlying cooperative mechanism, but they occur under different effective thermodynamic conditions under steady shear. More broadly, our study provides a unified microscopic description of thermal and mechanically driven dynamics in glass-forming
liquids.
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All authors Zi-Long Wang, Qi-Lu Yuan, Yun-Jiang Wang, Jack F. Douglas, Matteo Baggioli, Zhao-Yan Sun, Wen-Sheng Xu
Materials Science
Valley polarization, Rashba interaction, and weak altermagnetism in inversion-asymmetric MnPS$_\text{3}|$WS$_\text{2}$ van der Waals heterostructures
Purba Dutta, Soumajyoti Bid and Nirmal Ganguli
The deliberate breaking of inversion ($\mathcal{P}$)
symmetry in antiferromagnets has recently emerged as an effective means to induce various features, such as the emergence of Berry
curvature,
spin-valley locking, magnetoelectric coupling, and the transition from conventional antiferromagnetism to altermagnetism. Conversely, in non-
magnetic systems, inversion
symmetry breaking in the presence of strong
spin-orbit interaction (SOI) gives rise to momentum-dependent
spin splitting via the Rashba effect, enabling tunable
spin polarization through external electric fields. Motivated by recent advances in two-dimensional materials, we perform first-principles calculations based on density functional theory to investigate the van der Waals (vdW)
heterostructure formed by a $\mathcal{P}$-symmetric MnPS$_3$ monolayer and a WS$_2$ monolayer. We demonstrate that the interface hosts a rich interplay of emergent phenomena, including an altermagnetic phase, Rashba
spin splitting,
spin-valley locking, and valley polarization. Our results demonstrate that the
heterostructure exhibits semiconducting behavior with a direct band gap of approximately 1.65~eV and a type-I band
alignment. Remarkably, the electronic structure and band
alignment can be effectively tuned between type-I and type-II regimes via an external electric field and in-plane biaxial strain. Furthermore, field-induced modulation enables strong control over the altermagnetic phase and the valley splitting. These findings establish the proposed vdW
heterostructure as a highly tunable platform with significant potential for spintronic and valleytronic applications.
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Disordered Systems and Neural Networks
Nanowire networks' interconnection graphs from their photomicrographs
Javier Tau Anzoátegui, Juan Ignacio Diaz Schneider, Eduardo D. Martínez et al. (+3 more)
Self-assemblies of tunable units are being intensively studied as physical systems with signal-processing capabilities. Specifically, silver nanowire networks (AgNWNs) have demonstrated accumulation, non-linearity, and
memory retention with multiple timescales, features that enable a wide variety of neuromorphic implementations. In this study, we aim to extract the interconnection scheme to analyze the experimentally obtained network architecture and, eventually, use it as input to a previously developed simulation platform. By post-processing photomicrographs of AgNWN, we present a pipeline optimized to extract the interconnection diagram, recognizing the intersections formed among the nanowires, to determine the associated graph for each physical sample. A graph is a collection of nodes and edges whose properties can be associated with different electrical responses. It is thus possible to study graphs' metrics, such as the degree distribution, community size, clustering coefficient, and path-length, to compare the experimental assemblies' attributes to those of topological models of reference. Small-world, modular, and scale-free are well-known structures in the field of mathematical graphs. By analyzing the degree distribution, the adjacency
matrices, among other useful representation means, the experimental assemblies reveal similarities to both small-world and modular
topologies. All the mentioned analyses were conducted considering the interconnection scheme obtained from zenithal-view optical images, which overestimates the number of NWs' interconnections (due to the impossibility of distinguishing real junctions from spurious cross-points between vertically displaced NWs). For that reason, this communication also studies the impact of artificially removing junctions from the resulting graphs on the previously calculated clustering coefficient and path length.
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All authors Javier Tau Anzoátegui, Juan Ignacio Diaz Schneider, Eduardo D. Martínez, Pablo Levy, Oscar Filevich, Cynthia P. Quinteros
Materials Science
Atomically precise triple-step staircase on a vicinal silicon surface: Is it Si(5 5 7), Si(7 7 10) or Si(8 8 11)?
A. N. Chaika, A. Yu. Aladyshkin, V. N. Semenov et al. (+3 more)
Scanning tunneling microscopy studies of periodic arrays of triple steps fabricated on single-crystalline Si(5 5 7) wafers demonstrate several possible atomic structures of consecutive steps and Si(1 1 1) terraces maintaining the same periodicity on micrometer-sized surface areas. Detailed analysis of the atomically resolved data reveals the formation of Si(8 8 11) triple-step staircase with a period of 18b=5.99 nm in projection onto the terrace plane, where b=0.333 nm is the distance between atomic rows for the Si(1 1 1)1x1 surface. Schematic models for several possible configurations of either 7x7 or 5x5-reconstructed terraces and triple steps are proposed.
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All authors A. N. Chaika, A. Yu. Aladyshkin, V. N. Semenov, A. S. Aladyshkina, A. M. Ionov, S. I. Bozhko
Soft Condensed Matter
Nonlocal Electrostatic Field Theory from Microscopic Description
Varazdat Stepanyan, Yevgeni Sh. Mamasakhlisov and Armen E. Allahverdyan
The study of electric fields in soft materials converges either to the study of point-like particles (local) in nonlinear theories or to the use of particles with finite sizes in nonlocal linear theories. In this work, we start from the microscopic equations of motion and construct a unified mean field Fokker-Planck equation that describes the non-
equilibrium electrostatics of nonlocal nonlinear systems. We obtain a generalized Poisson-Boltzmann equation for such systems, as well as their electrostatic free energy expression. In the linear approximation, we obtain an anisotropic susceptibility in an isotropic fluid, which allows for local linear response inversion in electrostatics.
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Strongly Correlated Electrons
$J_{1} - J_{2} - \delta$ model on a square lattice: From Altermagnet to Columnar antiferromagnet via quantum disordered phase
Subharthi Paul and Darshan G. Joshi
Altermagnetism in the case of local-moment magnets is characterized by zero net magnetization and splitting of opposite chirality
magnon bands in the absence of any
spin-anisotropic interactions or external field. In this work we investigate the robustness of altermagnets against
quantum fluctuations arising from
magnetic frustration. We consider a Heisenberg model on a square
lattice with two different types of second-neighbor interactions, as in a checkboard pattern, in addition to the nearest-neighbor interaction. This model continuously interpolates between the $J_{1}-J_{2}$ Heisenberg model on the square
lattice and the Heisenberg model on the checkerboard
lattice. For weaker second-neighbor interactions a Néel-type altermagnet phase is realized. On the other hand, for stronger second-neighbor interactions a columnar antiferromagnet emerges. Using linear
spin-wave theory we calculate the
magnon dispersion, order parameter, static and dynamical structure factors for the two
magnetic phases. Further, we show that there is an intermediate
quantum disordered phase separating the two
magnetic phases, which is connected to the one realized in the $J_{1}-J_{2}$ model. The
quantum disordered region is further stabilized as we tune towards the checkerboard
lattice limit.
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Strongly Correlated Electrons
Multibath Influence Matrices: Universal Scaling from Real-Time Dynamics
Matan Lotem, Michael Sonner, Valentin Link et al. (+2 more)
Diverging timescales are the hallmark of critical dynamics and the bottleneck to their classical and
quantum simulation. To tame this, we compress a spacetime tensor network: temporally into
semigroup influence
matrices and spatially via
matrix-product states. Benchmarking on the two-
impurity Anderson model with its four fermionic species, we compute spectral functions to map the
evolution from a Kondo resonance, across a non-
Fermi-
liquid quantum critical point, and into a gapped singlet phase. Resolving transient through asymptotic dynamics in sudden quenches and Kibble-Zurek ramps, we obtain the universal two-channel-Kondo exponent. Together, these results establish multibath influence
matrices as a practical tool for real-time dynamics in strongly correlated multi-orbital systems.
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All authors Matan Lotem, Michael Sonner, Valentin Link, Alessio Lerose, Dmitry A. Abanin
Statistical Mechanics · Cross-listed from hep-th
Universality of Magic in Local Quantum Field Theory
Valentin Benedetti, Atish Dabholkar and Marcello Dalmonte
We show that no stabilizer state in a discrete realization of a local
quantum field theory can flow in the continuum to the
vacuum or to any state that resembles the
vacuum at short distances. The argument rests on the fact that the
entanglement spectrum is flat for stabilizer states but non-flat for cyclic and separating states in a local QFT as a consequence of the type III$_1$ nature of the von Neumann
algebras associated with arbitrary subregions. Our result implies that simulating physically relevant QFT states necessarily requires
quantum resources beyond stabilizer states and Clifford operations. We comment on the implications for holography.
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Superconductivity
Eddy currents and current reversal in curved magnetic thin-film Josephson junctions
Einar Skoglund, Maxim A. Tjøtta and Sol H. Jacobsen
Real-space
geometric curvature in
magnetic thin films introduces a controllable mechanism for tailoring the pathways of superconducting steady-state Josephson currents via the proximity effect. We present a generalized Green's function method for calculating diffusive transport in arbitrarily curved surfaces, and show how the competing mechanisms of
curvature and distance regulate conversion between different superconducting pairings in a proximity-coupled ferromagnet. We show how this dictates the distribution of current density, with the possibility of
curvature-controlled current density manipulation, induced eddy currents and current reversal.
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Quantum Gases · Cross-listed from quant-ph
Dissipative Stabilization of Floquet-Engineered Many-Body Order
Shreyas Raman, Robin Schäfer, Alicia J. Kollar et al. (+1 more)
Floquet driving underlies
Hamiltonian and gate engineering, and produces dynamical orders with no
equilibrium counterpart. These phenomena are, however, transient in well-isolated systems. We show that statically coupled dissipative auxiliaries cool the system toward low-energy states of the Floquet-engineered
Hamiltonian, stabilizing orders in the steady state. The excess energy density is controllably small at high drive frequency and weak coupling and is captured by rate theory based on
Fermi's Golden Rule. We numerically confirm robust cooling in a Floquet-engineered transverse-field Ising chain in both phases, and demonstrate discrete time-crystalline order, with a period-doubled magnetization response, in the steady state of a long-range Ising chain. Our results provide a rare analytical handle on the steady states of driven dissipative systems.
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All authors Shreyas Raman, Robin Schäfer, Alicia J. Kollar, Anushya Chandran
Quantum Gases · Cross-listed from physics.atom-ph
Simulating neural network criticality and resource dynamics with Rydberg gases
Patrick Mischke, Herwig Ott, Michael Fleischhauer et al. (+1 more)
Efficient operation of neural networks has been linked to criticality in their underlying non-
equilibrium excitation dynamics. However, obtaining experimental evidence of this
conjecture remains challenging due to limited control and undersampling in biological systems. Here, we experimentally explore neural network criticality using an ultracold Rydberg gas as a highly controllable simulator. We highlight the similarity of the excitation spreading via Rydberg facilitation and the synaptic connection of spiking activity of
neurons, giving rise to distinct absorbing and active phases. We systematically explore and resolve criticality criteria, including power-law scaling of excitation avalanches and the emergence of universal avalanche shape collapse. Crucially, we implement a controlled gain mechanism to compensate for atom loss, mimicking metabolic resource replenishment and stabilizing the system in a controlled non-
equilibrium steady state. We find peak temporal correlations at the critical point and
stochastic oscillations with dragon king avalanches in the active phase, consistent with predictions for systems orbiting criticality. Our work establishes facilitated Rydberg gases as a platform for investigating criticality, resource dynamics, and emergent oscillations in neural networks.
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All authors Patrick Mischke, Herwig Ott, Michael Fleischhauer, Thomas Niederprüm
Statistical Mechanics
Nonequilibrium thermodynamics of feedback-control: a phase-space perspective
José A. Almanza-Marrero
Maxwell demons can convert knowledge into thermodynamic advantage by using measurement-acquired information. However, standard formulations of this problem assume that the demon has access to the system's entire phase space, an assumption that fails in many practical applications. Here, I address this problem by deriving fluctuation relations for general feedback-controlled systems, including such singular cases. The central quantity is a generalized notion of unavailable information: a portion of the acquired information that cannot be used to extract useful work. Finally, a Szilard engine with finite resolution illustrates these results. In the high-resolution limit, the information acquired by the demon may diverge, yet the extractable work remains finite. This work shows that this occurs because an equally divergent amount of information becomes unavailable.
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Materials Science
A Dynamical Phase-Field Model for the Optical Properties of Ferroelectrics
Aiden Ross, Anya Frazer, Venkatraman Gopalan et al. (+1 more)
Ferroelectric materials are promising platforms for controllable photonic devices because of the strong coupling between their spontaneous polarization and optical properties. Yet, these materials remain challenging to design because of the close connection between the ferroelectric domain structure and optical response, which no existing theoretical approach can capture. Here, we develop a dynamical phase-field model that directly couples the ferroelectric order to the local optical response by introducing an electronic polarization field. This approach enables the prediction of the spatially resolved temperature- and wavelength-dependent optical properties in complex ferroelectric microstructures. Applying this method to BaTiO3 thin films, we investigate the
evolution of the local refractive index and electro-optic response under varying electric fields and temperatures. We show that the ferroelectric domain structure strongly modifies the local electro-optic response, exceeding 4000 pm/V near domain walls, several times larger than the bulk single
crystal value (r_51=1300 pm/V). Our simulations quantitatively reproduce the electro-optic coefficient measured in BaTiO3 on silicon films and capture the temperature-dependent behavior across multiple ferroelectric phase transitions, revealing the role of phase competition and coexistence in determining the electro-optic response. More broadly, this work establishes a general approach for predicting light-matter interactions in complex ferroelectric microstructures, enabling the computational design of ferroelectric materials for photonics.
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All authors Aiden Ross, Anya Frazer, Venkatraman Gopalan, Long-Qing Chen