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Physics Condensed Matter

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Thursday 2 April

Statistical Mechanics

Invariant measures of exclusion processes with a look-ahead rule

We study a one-dimensional exclusion process with a fixed jump length $I \ge 1$ in which a particle may advance or retreat $I$ sites provided all intermediate sites are vacant, with hopping rates of Arrhenius type depending on the local headway. We identify the class of rates admitting an explicit Ising-Gibbs invariant measure, with stationarity governed by pairwise balance rather than detailed balance. In the thermodynamic limit, we derive a closed-form stationary current that recovers the mean-field prediction for look-ahead traffic-flow models exactly when particles are uncorrelated, and quantifies the correlation-induced correction otherwise. The resulting fundamental diagram is right-skewed and non-concave, as in empirical traffic data, and for a preferred-spacing interaction-where the stationary headway distribution becomes bimodal-the mean-field approximation fails qualitatively. The closed-form current is confirmed by kinetic Monte Carlo simulations and by exact finite-size computations.
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Materials Science

Understanding ultrafast x-ray 'echoes' diffracted from single crystals

Multiple x-ray beams generated by interference processes in perfect crystals were imaged with a resolution of about 100nm using tele-ptychography in the diffraction direction. These multiple wave-fields, also known as x-ray diffraction echoes, are related to the process known as the Pendelloesung effect and are described by dynamical diffraction theory. The echoes are produced by the constructive interference of diffracted x-rays at the exit surface of the crystal sample. In the imaged diffraction peak, we observed 10 echoes maxima with a total signal length of 78 um. Which translates into a total temporal delay in the signal of less than 108 fs.This makes the echoes of high importance for x-ray optics at x-ray Free Electron Laser sources, as the effect could be used for future ultrafast x-ray beam splitters. In addition to this application, echoes can be exploited to follow ultrafast processes in single crystal micro-structures such as melting or strain propagation.
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All authors Angel Rodriguez-Fernandez, Dmitry Karpov, Steven Leake, Dina Carbone, Ana Diaz

Quantum Gases

Sound propagation in striped supersolid cold gases at zero temperature

We present a unified hydrodynamic approach for the sound propagation in the stripe phases realized in ultracold dipolar gas and spin-orbit-coupled BEC platforms at zero temperature. Despite the deep difference of the two platforms at a microscopic level, a similar hydrodynamic description can be formulated at a macroscopic level. The main difference between the two platforms is the lack of Galilean invariance in the spin-orbit case, resulting in a different identification of the normal (nonsuperfluid) component of the density, which leads to new terms in the equation for the current. In both cases the spectrum comprises two sounds, reflecting the spontaneous breaking of the U(1) and translational symmetries. Both sounds exhibit an anisotropic behavior. A comparison with the first and second sounds of the smectic-A liquid crystal is also presented.
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All authors Elena Poli, Giovanni I. Martone, Sandro Stringari, Alessio Recati

Mesoscale and Nanoscale Physics

Coupled dynamical Boltzmann transport equations with long-range electron-phonon and electron-electron interactions in 2D materials

We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplings in van der Waals heterostructures. We evaluate the effects of those interactions on transport properties by writing dynamically coupled Boltzmann equations for the electrons and for the electrodynamically active excitations. We develop a theory with a general validity, and apply it both to simplified parabolic models, and to the realistic BN-encapsulated graphene system which we present in an accompanying paper [arXiv:2604.00678]. We show that dynamical screening effects are of fundamental importance in order to correctly describe the electronic transport properties of two-dimensional materials, and in particular the scattering from polar phonons, whether those come from the semiconductor itself or the surrounding layers.
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Strongly Correlated Electrons

Sign-Free Evidence for a d-Wave Superfluid Stiffness Dome in the Doped Hubbard Model

We construct an effective single-particle Hamiltonian $K_{\mathrm{eff}}$ from Monte Carlo–averaged matrix logarithms of the imaginary-time propagator in determinant quantum Monte Carlo (DQMC). The logarithm maps the multiplicative sign problem into an additive framework where the central limit theorem guarantees convergence, rendering $K_{\mathrm{eff}}$ sign-problem-free: both sign sectors yield identical dispersions to $<1\%$. $K_{\mathrm{eff}}$ captures the exact correlated single-particle spectrum, incorporating all self-energy effects non-perturbatively. Applied to the Hubbard model ($t'/t = -0.30$, $U/t = 4$), $K_{\mathrm{eff}}$ reveals a $d$-wave pseudogap with strong nodal-antinodal dichotomy below a computational phase transition at $T^*$. Three sign-free observables provide evidence consistent with spin-fluctuation pairing: (i) the gap ratio $R_g > 1$ confirms $d$-wave symmetry – a temperature-independent property of the correlated band structure that provides the medium for pairing; (ii) the superfluid stiffness $\rho_s$ forms a dome across doping at $L = 8$, $10$, and $12$, exceeding the Berezinskii-Kosterlitz-Thouless threshold by $5$-$7\times$ at the dome peak; (iii) $S(\pi,\pi)$ is approximately flat across doping, establishing that the dome originates from Fermi-surface geometry responding to uniform spin-fluctuation glue. The pseudogap grows monotonically toward half-filling while $\rho_s$ forms a dome, mirroring cuprate phenomenology where $T_c$ is limited by the superfluid density (Uemura relation). Vertex corrections remain to be quantified.
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Materials Science

Electrochemical doping in H-terminated diamond films: Impact of O-functionalization and insights from in-situ Raman spectro electrochemistry

The p-type surface conductivity of H-terminated diamond (HD, H-diamond) has created new path ways for developing diamond based electronic devices as well as chemical and bio-sensors. However, the hydrophobic nature of the HD surface can negatively impact device performance due to its low wettability. Herein, we report the study on polymer electrolyte-gated field effect transistors (EGFETs) fabricated using pristine and partially O-terminated HD films. The HD surface is transformed from hydrophobic to moderate hydrophilic by partial O-termination. Also, the sheet resistance of the HD surface increases from 7.6 to 18.7 k-Ohms per sq. while the sheet hole density decreases from 10.5 to 4.8 x 10^12 cm^-2 upon partial O-termination. Consequently, the ON - OFF ratio of the EGFET devices decreases from ~ 40 to 14 and the maximum transconductance declines from of -150 to -7.9 micro-seimens per V, but the areal capacitance increases from ~ 7.8 to 27.1 microFarad per cm^2 with partial ozonation on HD surface. In addition the in situ Raman measurements in HD EGFET provide direct experimental evidence of a gating-induced blue shift and linewidth broadening of the diamond Raman band which are associated with strong electron phonon coupling. This work highlights the significant impact of the partial O-termination on the performance of the HD EGFET devices and effect of electrochemical gating on the phonon behaviour of the H-diamond.
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Strongly Correlated Electrons

Bond-density-wave orders induced by geometric frustration in the kagome metal CeRu3Si2

Geometric frustration gives rise to vast manifolds of degenerate ground states and competing orders in spin and charge systems. Typically, classical ground states are governed by a local “zero-sum constraint" that relieves frustrated antiferromagnetic interactions or Coulomb repulsion. To date, the paradigm of geometric frustration has yielded a rich landscape of emergent phases, from spin ices and quantum spin liquids to charge glasses. However, an analogous phase rooted in chemical bonding has yet to be firmly demonstrated. Here we report the discovery of bond-density-wave orders induced by geometric frustration in the kagome metal CeRu$_3$Si$_2$ above room temperature. Through synchrotron X-ray diffraction, real-space transmission electron microscopy, and model calculations, we observe two distinct long-period superlattices with harmonic and anharmonic structural modulations. Crucially, interlayer bonds between kagome planes modulate in a sublattice-selective manner to fulfill the zero-sum constraint on the kagome lattice. We demonstrate the potential of kagome metals to host complex bond-ordered states constrained by geometric frustration and establish chemical bonding as a distinct pathway to frustration physics in quantum materials even above room temperature.
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All authors Ryo Misawa, Shunsuke Kitou, Rinsuke Yamada, Xiaolong Feng, Ryota Nakano, Priya Ranjan Baral, Yuiga Nakamura, Leslie M. Schoop, Yukitoshi Motome, Taka-hisa Arima, Xiuzhen Yu, Max Hirschberger

Materials Science

Quantum-Information Measure of Electron Localization

Understanding electron localization in molecules and materials plays a central role in electronic structure theory, and will increase in importance with the rise of data-driven approaches. The electron localization function (ELF) is widely used to visualize electron organization in molecules and materials, and it remains a central ingredient in modern density-functional approximations. Yet its formulation retains highly empirical elements. Here we introduce a quantum-information measure of electron localization derived from the concurrence of a correlated two-spin mixed state. This construction yields a genuine two-point localization indicator grounded in quantum-information theory, avoiding the heuristic normalization and chosen nonlinear remapping of the ELF. We show that atomic shells, covalent and ionic bonds, lone pairs, molecular dissociation, and charge-transfer processes are captured. The method is straightforward to evaluate numerically.
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All authors Stefano Pittalis, Filippo Troiani, Celestino Angeli, Irene D'Amico, Tim Gould

Disordered Systems and Neural Networks

Isolated extended states and anomalous critical behavior in the generalized SSH model

We investigate the localization properties of a generalized SSH model. Numerical and analytical results indicate the emergence of extended states protected by unbounded hopping in this model. Moreover, this protection effect is disrupted by the appearance of generalized incommensurate zeros, causing the extended phase in the system to transition into a multifractal phase. However, at the boundaries of the phase region, we still observe the existence of extended states. These extended states coincide with multifractality-enriched mobility edges, separating the multifractal phase from the localized phase. Further analysis reveals that this extended states originates from the band edge states of SSH model. In addition, these isolated extended states also influence eigenstates with nearby energies, giving rise to an anomalous extended-to-multifractal critical transition. These findings not only enrich the behavioral repertoire of eigenstates at critical points, but also offer new insights for further understanding Anderson localization and the induction of multifractal phases.
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Materials Science

Benchmarking Chemically Scalable Machine-Learning Interatomic Potentials for Large-Scale Simulations of Multicomponent Alloys

Machine learning interatomic potentials (MLIPs) with broad chemical flexibility are essential for atomistic simulations of compositionally complex alloys, but their deployment in large-scale molecular dynamics requires a balance among accuracy, efficiency, stability, transferability, and uncertainty quantification. Here, we benchmark two chemically scalable MLIP frameworks, neuroevolution potential (NEP) and graph atomic cluster expansion (GRACE), for 16 elemental metals and their multicomponent alloys. GRACE-FS shows higher training efficiency and generally better average accuracy, chemical transferability, and finite-temperature robustness, whereas UNEP-v1 provides substantially higher inference speed and remains competitive in selected stress and large-error metrics. We further show that chemical transferability is closely linked to high-temperature MD stability in highly multicomponent environments and that ensemble-based uncertainty provides a more reliable error indicator than D-optimality for the heterogeneous systems considered here. Finally, three-million-atom shock simulations demonstrate that UNEP-v1, combined with ensemble uncertainty, enables uncertainty-aware simulations under extreme dynamic conditions, yielding robust global spall-strength predictions while revealing model sensitivity in local damage pathways. These results provide practical guidelines for selecting and deploying MLIPs in large-scale simulations of multicomponent alloys.
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All authors Fei Shuang, Penghua Ying, Kai Liu, Zixiong Wei, Fengxian Liu, Zheyong Fan, Minqiang Jiang, Poulumi Dey

Mesoscale and Nanoscale Physics · Cross-listed from quant-ph

Mechanism for scale-free skin effect in one-dimensional systems

Non-Hermitian skin effect is one of the most captivating phenomena in non-Hermitian systems, characterized by the extensive localization of eigenstates near open boundaries. In its conventional form, the localization length of a skin mode is independent of the system size. Remarkably, however, when the open boundaries are coupled to realize a generalized boundary condition, the localization length can undergo a drastic transformation, becoming proportional to the system length. This intriguing regime is known as the scale-free skin effect (SFSE). Although SFSE has been observed in numerous one-dimensional non-Hermitian models through case-by-case studies, a unified theoret ical framework capable of predicting its emergence and characteristic properties remains absent. In this work, we take a firm step forward by establishing a model-independent framework for the ana lytic determination of scale-free localization lengths in certain regimes. Our key insight is to treat generalized boundary conditions as a perturbation of the periodic boundary conditions, thereby circumventing the singular response-to-perturbation that would otherwise arise if they were pertur batively treated relative to open boundary conditions. Our work sheds new light on understanding SFSE in non-Hermitian systems.
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Superconductivity

Chiral Superconductivity in Periodically Driven Altermagnet/Superconductor Heterostructures

The interplay between magnetism and superconductivity provides a fertile ground for engineering exotic topological phases, while dynamical control via periodic driving offers a unique avenue to access quantum states that are inaccessible in static equilibrium. Here, we propose a strategy to achieve the Floquet chiral topological superconductivity in an altermagnet-superconductor heterostructure driven by elliptically polarized light. We show that for $s$-wave pairing, the system undergoes a transition from a trivial to a chiral topological superconducting phase. More strikingly, with the introduction of mixed $s+d$-wave pairing, we find that the system can access Floquet chiral topological superconducting phases with highly tunable Chern numbers up to N=4. These exotic phases are attributed to the intertwining of altermagnetism, superconducting pairing, and the periodic driving field. Our work establishes the light-driven altermagnetic heterostructure as a versatile platform for exploring and manipulating high-Chern-number chiral topological superconductivity.
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All authors Xiaolin Wan, Zheng Qin, Fangyang Zhan, Junjie Zeng, Dong-Hui Xu, Rui Wang

Statistical Mechanics

Symmetry-Informed Term Filtering for Continuum Equation Discovery

Discovering governing equations, whether manually or by data-driven methods, has been central in physics and related areas. Since governing equations are typically constrained by a set of symmetries, using symmetry constraints to restrict terms is usually the first step in manually formulating a governing equation, but it often becomes intractable for complex systems with high-order derivatives or multiple fields. When a data-driven method is used, on the other hand, imposing physical constraints such as symmetries typically requires manual preprocessing or computationally expensive iterative procedures. Here, we propose an algebraic filtering method that enumerates all symmetry-allowed terms for continuum equations within a finite candidate space. By treating symmetry generators as linear operators on the candidate space, we reduce the problem of enforcing both discrete and continuous symmetries to solving a set of linear kernel equations. The solution yields a provably complete list of permitted terms. We demonstrate the method's effectiveness by identifying invariant terms for systems with dihedral symmetry and recovering the governing equations for the Toner–Tu and Kardar–Parisi–Zhang systems, including higher-order terms useful for extending known models. The method provides a systematic way to obtain a symmetry-allowed search space for data-driven equation discovery, e.g., the sparse identification of nonlinear dynamics method.
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Materials Science

Abrupt crystallization from shock-compressed CaSiO3 glass

We have performed in situ time-resolved X-ray diffraction at ~100 GPa on laser-shocked CaSiO3 glass to investigate the glass-to-crystal transition. At this extreme pressure, we observe the ultrafast crystallization of the CaSiO3 perovskite structure from the compressed amorphous phase, with a typical nucleation time of 1.69 +/- 0.10 ns and a final grainsize of ~20 nm. The grain size temporal evolution suggest a diffusion controlled transformation. Moreover, the observed concomitant explosive grain growth together with the release wave arrival into shocked CaSiO3 also suggests a role of the release in the nucleation process.
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All authors A. Amouretti, K. Nonaka, X. Liu, Y. Hironaka, H. Huang, R. Kodama, K. Lawler, K. Miyanishi, H. Nakamura, C. Schwartz, Y. Seto, K. Sueda, Y. Wu, M. Yabashi, T. Yabuuchi, N. Ozaki

Materials Science

Magnetoelectric Coupling in Nickel-Cobalt Ferrite and Lanthanum Ferrite Heterostructure Composites: Experimental Evidence and Simulation-Driven Insights

A material that reveals two or more ferroelectric properties at the same time is called multiferroic materials. The most commonly multiferroic materials shows ferroelectricity and ferromagnetism property within a single phase. Accordingly such materials can possess both spontaneous magnetization and electric polarization and which can be individually controlled through external electric or magnetic fields. The unique coexistence of ferroelectric properties opens up possibilities for innovative applications, including memory devices, sensors, and actuators that are responsive to both electrical and magneticstimuli. Multiferroics gives a valuable foundation for generating cutting edge multifunctional devices, exhibiting their versatility across broad area technological fields. Applications include sensors, transducers, spintronics, terahertz emitters, miniature antennas, energy harvesting, multiple state memory storage, electric field controlled ferromagnetic resonance devices, and nanoscale electronics. Researchers are continually work to discovering new materials exploring the fundamental mechanisms involved, and optimizing their performance for various application. Multiferroic materials has a promising area for innovation and exploration the field of advance technologies this type of materials contributing not only to device development but also enhancing the understanding of the interactions between ferroelectric and magnetic orders. Additionally, magnetoelectric composites is a type of multifunctional material showing strong coupling between magnetic and electric properties for further technological applications. Magnetoelectric (ME) composites are synthesis by combining separate magnetic and electric materials to produce unique functionalities through their interactions. This coupling enables the control of magnetic properties by an electric field and vice versa.
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Mesoscale and Nanoscale Physics

Time-evolving matrix product operators for off-diagonal system-bath coupling

The time-evolving matrix product operator (TEMPO) method has proven to be a powerful method to study the long-time dynamics of bosonic impurity problems where a small system is linearly coupled to a noninteracting bosonic bath. However, current developments of TEMPO have mostly focused on the case of diagonal system-bath coupling, i.e., $\sum_k \Aop(V_k \bdop_k + \hc)$, with $\Aop$ a Hermitian operator of the system. Based on the process tensor framework, we extend TEMPO to the more general case of off-diagonal system-bath coupling in the form $\sum_k (V_k\Aop\bdop_k + \hc)$, where $\Aop$ could be non-Hermitian. As applications, we study the real-time dynamics of a spin that is coupled to a sub-ohmic bath via the Jaynes-Cummings-type system-bath coupling and compare it against the standard spin-boson model, where we show that the commonly used rotating-wave approximation could be very poor for this bath. We also study the imaginary-time evolution of a bosonic impurity with nonzero on-site interaction that is coupled to a sub-ohmic bath, to illustrate the flexibility of our method. Our method provides a unified framework to understand different variants of TEMPO, and is a promising building block for an impurity solver in the bosonic dynamical mean field theory for the normal phase with a scalar hybridization function.
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All authors Chu Guo, Wei Wu, Xiansong Xu, Tian Jiang, Ping-Xing Chen, Ruofan Chen

Statistical Mechanics

The Mpemba effect likes to hit a wall

The original Mpemba effect refers to the idea that a macroscopic hot system cools faster than an initially colder one. In its microscopic and classical versions, the system is modeled as an overdamped particle in an external potential, and the corresponding Mpemba effect has been observed experimentally and explored theoretically. We establish that the existence of the one-dimensional Mpemba effect for a particle in an asymmetric polynomial double-well potential is driven solely by the presence of a hard wall, irrespective of the potential's double-well shape and metastability. The Mpemba effect disappears if we consider an infinitely large system. We then show that the underlying mechanism of the Mpemba effect is governed by the fine structure of the initial statistical population as it probes the tails of the potential, which also explains the Mpemba effect in single-well and symmetric double-well potentials.
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All authors Yue Liu, Tan Van Vu, Raphaël Chétrite, Frédéric van Wijland, Hisao Hayakawa

Statistical Mechanics

Anomalous scaling in redirection networks

In networks that grow by isotropic redirection (IR), a new node selects an initial target node uniformly at random and attaches to a randomly chosen neighbor of the target. The emerging networks exhibit leaf proliferation, in which the number of nonleaves scales sublinearly as $N^\mu$ and the degree distribution has an algebraic tail with exponent $1+\mu$. To understand these mysterious properties, we introduce a class of models with redirection to leaves whenever possible. The resulting networks exhibit qualitatively similar phenomenology to IR networks, but avoid the inherent non-locality of the IR growth rule. These networks admit an analytical description of the leaf degree distribution, from which we extract the exponent $\mu$.
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All authors Harrison Hartle, P. L. Krapivsky, S. Redner, Yuanzhao Zhang

Materials Science

Precipitate-Induced Dynamic Strain Aging and Its Effect on the Strain Rate Sensitivity of Precipitation Hardened Aluminum Alloys

We examine precipitate-induced dynamic strain aging in precipitation-hardened Al-Cu alloys by combining atomistic simulations, kinetic Monte Carlo, and analytical rate theory. Atomistic simulations were used to characterize (1) the energetics of nearest neighbour Cu<->Al exchanges at dislocation - precipitate junctions and (2) the subsequent change in obstacle strength. For robustness, the simulations were performed with two distinct interatomic potentials. The resulting catalog of local Cu-Al exchange events was used as input for a kinetic Monte Carlo model of the time-dependent evolution of obstacle strength during dislocation pinning at the precipitate. The predicted strengthening kinetics were then embedded in an analytical dynamic strain aging model to predict the strain-rate sensitivity parameter. On the whole, the modeling predicts a low strain-rate sensitivity across a broad range of intermediate quasi-static strain rates, consistent with experimental observations for precipitate-strengthened alloys. The results therefore identify a mechanistic origin of the low strain-rate sensitivity in precipitation hardened aluminum alloys, emerging directly from the kinetics of dislocation-precipitate interactions when nearest neighbour Cu<->Al exchanges are considered.
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Materials Science

Insulator-to-Metal Transitions Driven by Quantized Formal Polarization Mismatch

We propose a mechanism for insulator-to-metal (IM) transitions driven by the mismatch of quantized formal polarization (QFP), a symmetry-protected bulk invariant. For a material with a low-symmetry insulating phase and a high-symmetry phase that allow distinct QFPs, any continuous path connecting them while preserving the symmetry of the low-symmetry phase must inevitably pass through an IM transition. The reason is that QFP remains invariant along any gapped symmetry-preserving evolution, whereas the high-symmetry phase requires a different QFP, which can only be accommodated by gap closing. First-principles calculations on two representative systems, two-dimensional InPS$_3$ and three-dimensional CdBiO$_3$, confirm this mechanism. Our results establish QFP mismatch as a general symmetry constraint on phase evolution and reveal a new route to symmetry-driven IM transitions in high-symmetry materials.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.ins-det

Electrostatic transfer of sub-micron magnetic particles onto cantilevers using a focused ion beam system

In this paper, we present a focused-ion-beam-assisted method for preparing magnet tips for magnetic resonance force microscopy measurements. The method electrostatically transfers prefabricated magnetic nanoparticles to microcantilevers, achieving precise control over the magnet overhang past the cantilever leading edge while minimizing the fabrication damage to the leading edge of the tip magnet. We demonstrate successful fabrication of magnets ranging in size from 460 nm to 2.8 um. These magnets were affixed to two types of cantilevers: silicon cantilevers with a spring constant of 800 uN/m, and single-crystal silicon cantilevers with a spring constant of 30 uN/m. We show that the electrostatic transfer method enables a wide variety of tip shapes, sizes, and materials that were previously not possible with conventional fabrication methods. The transfer procedure allows us to prefabricate the desired particle geometry with minimal ion-beam damage, as confirmed by Monte Carlo simulations. We show that the technique is versatile and can be used to fabricate custom-tipped cantilevers for a broader range of scanning probe techniques.
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All authors Peter Sun, George R. Du Laney, Tim M. Fuchs, Tjerk H. Oosterkamp, Malcolm G. Thomas, John A. Marohn

Mesoscale and Nanoscale Physics · Cross-listed from quant-ph

Codimension-controlled universality of quantum Fisher information singularities at topological band-touching defects

Topological phase transitions in generic multiband systems are mediated by band-touching defects whose codimension – the number of momentum directions along which the gap closes linearly – varies across universality classes. Although singular behavior of fidelity susceptibilities and quantum Fisher information (QFI) has been computed for specific models, no unifying principle connecting these results has been identified: it has remained unclear whether the controlling variable is spatial dimensionality, band structure, or an intrinsic geometric property of the defect. We resolve this question by showing that the singular contribution to the QFI with respect to the tuning parameter $m$ obeys a universal power-law scaling $\sim |m|^{p-2}$ for $p \neq 2$, with a logarithmic divergence $\sim \ln(1/|m|)$ at the marginal codimension $p = 2$, where $p$ denotes the codimension of the band-touching defect. This exponent is independent of spatial dimensionality, anisotropies, ultraviolet regularization, and additional gapped bands, and is protected by renormalization-group arguments at the linearized fixed point. The result unifies previously isolated observations for SSH chains ($p=1$), Chern insulators ($p=2$), and Weyl semimetals ($p=3$) as instances of a single codimension-dependent universality class, and reveals that only defects with $p \leq 2$ generate divergent information-geometric responses. This establishes a direct and previously missing link between topological classification in momentum space and quantum distinguishability in parameter space, with implications for metrological sensitivity near topological transitions and for the experimental detection of topological criticality via quantum geometric observables.
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Disordered Systems and Neural Networks

Variational Iterative Rotation Algorithm: Combinatorial Optimization with Classical Kicked Tops

We investigate a classical formulation of the Quantum Approximate Optimization Algorithm (QAOA), realized as a Hamiltonian dynamical system of classical kicked tops, which we call the Variational Iterative Rotation Algorithm (VIRAL). The protocol is fully variational, with the initial tilt of the spins and the $2p$ rotation angles of a depth-$p$ circuit optimized by backpropagation through the deterministic dynamics. On the canonical Sherrington-Kirkpatrick (SK) spin glass and on Max-Cut for random 3-regular graphs, VIRAL systematically outperforms QAOA, with the SK energy density converging to the Parisi ground state value and the cut fraction to the 2RSB upper bound, both linearly in $1/p$. The optimization is driven by a pitchfork bifurcation of the Floquet map, which destabilizes the equatorial fixed point and adiabatically transports the spins to the polar Ising configurations encoding the solution. These results indicate that the effectiveness of QAOA-like protocols is rooted in their iterative rotation structure. To explain the classical advantage, we exactly reduce the many-body evolution to an effective Landau-Lifshitz dynamics of a single spin in a self-consistent stochastic magnetic field. The temporal covariance of the effective field is nearly rank-one, so that a single noise mode governs the stochastic dynamics and the system remains highly controllable. Quantum fluctuations, by contrast, increase the rank of the noise covariance, hampering control and slowing convergence to the solution. Finally, we propose nanometer-scale magnetic tunnel junctions, where spin rotations are naturally realized by magnetic fields and spin torques, as a physical platform for implementing VIRAL.
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Wednesday 1 April

Materials Science · Cross-listed from cs.AI

From Data to Theory: Autonomous Large Language Model Agents for Materials Science

We present an autonomous large language model (LLM) agent for end-to-end, data-driven materials theory development. The model can choose an equation form, generate and run its own code, and test how well the theory matches the data without human intervention. The framework combines step-by-step reasoning with expert-supplied tools, allowing the agent to adjust its approach as needed while keeping a clear record of its decisions. For well-established materials relationships such as the Hall-Petch equation and Paris law, the agent correctly identifies the governing equation and makes reliable predictions on new datasets. For more specialized relationships, such as Kuhn's equation for the HOMO-LUMO gap of conjugated molecules as a function of length, performance depends more strongly on the underlying model, with GPT-5 showing better recovery of the correct equation. Beyond known theories, the agent can also suggest new predictive relationships, illustrated here by a strain-dependent law for changes in the HOMO-LUMO gap. At the same time, the results show that careful validation remains essential, because the agent can still return incorrect, incomplete, or inconsistent equations even when the numerical fit appears strong. Overall, these results highlight both the promise and the current limitations of autonomous LLM agents for AI-assisted scientific modeling and discovery.
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Statistical Mechanics

The topological gap at criticality: scaling exponent d + {\eta}, universality, and scope

The topological gap $\Delta = TP_{H_1}^{real} - TP_{H_1}^{shuf}$ – the excess $H_1$ total persistence of the majority-spin alpha complex over a density-matched null – encodes critical correlations in spin models. We establish finite-size scaling: $\Delta(L,T) = A L^{d+\eta} G_-(L|t/T_c|)$, with $G_-(x) \sim (1+x/x_0)^{-(1+\beta/\nu)}$. For 2D Ising, $\alpha = 2.249 \pm 0.038$, matching $d+\eta = 9/4$ to $0.03\sigma$; the $G_-$ exponent $\gamma = 1.089 \pm 0.077$ is consistent with $1+\beta/\nu = 9/8$ ($\Delta R^2 < 10^{-5}$). For 2D Potts $q=3$ with $L$ up to 1024, $\alpha = 2.272 \pm 0.024$ ($0.2\sigma$ from $d+\eta = 2.267$), with two-term corrections to scaling ($R^2 = 0.9999$). The $G_-$ exponent $\gamma = 1.114$ (68% CI $[1.053, 1.173]$) matches $1+\beta/\nu = 17/15$. Scope boundaries: the law fails for 2D Potts $q=4$ ($\alpha = 2.347 \pm 0.017$, $9.3\sigma$ from $d+\eta = 5/2$) where logarithmic corrections prevent convergence, and for raw 3D Ising ($4\sigma$ from $d+\eta$), but density normalization $\Delta/|M|^{1/2}$ recovers $\alpha = 3.06 \pm 0.04$ ($0.6\sigma$). The framework fails for first-order, BKT, and percolation. The criterion: $\alpha = d+\eta$ holds when corrections to scaling are algebraic ($\omega > 0$) but fails when logarithmic ($\omega \to 0$).
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Statistical Mechanics · Cross-listed from physics.plasm-ph

From Galactic Clusters to Plasmas in a Single Monte Carlo: Branching Paths Statistics for Poisson-Vlasov/Boltzmann

Recent advances have allowed to tackle path-space probabilistic representations of mesoscopic Boltzmann transport nonlinearly coupled to a sub-model of the force-field by step forward approaches in terms of continuous branching stochastic processes. In this work, path-space probabilistic representations of free-space Poisson-Vlasov and Poisson-Boltzmann systems are exhibited. This yields novel propagator representations and opens new routes for efficient and reference simulations by use of new branching backward Monte Carlo algorithms. Subsequent statistical estimator are benchmarked on gravitational clusters and plasmas dynamics.
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All authors Daniel Yaacoub, Stéphane Blanco, Richard Fournier, Gerjan Hagelaar

Superconductivity

Electronic-Structure Correlations Governing Superconductivity in Nb-Based High-Entropy Alloys

Superconducting high-entropy alloys have recently emerged as a new platform for exploring superconductivity in highly disordered metallic systems and may offer advantages for applications requiring mechanical robustness and tolerance to extreme environments. Yet the mechanisms that govern their superconductivity, particularly the roles of lattice distortion and complex local order, both inherent to high-entropy alloys, remain unclear. The conventional valence-electron-concentration rule fails to reliably predict superconducting behavior, motivating a correlation analysis that links performance to electronic structure and lattice disorder. Here, we study a systematic series of niobium-based body-centered-cubic high-entropy alloys, from binary to quinary compositions, designed to investigate the electronic and structural effects and identify the dominant factors controlling superconductivity. Our experimental results reveal that the superconducting critical properties evolve non-monotonically with alloy complexity. Interestingly, alloys with greater lattice distortion can still achieve higher critical temperature and upper critical field. These observations are corroborated by first-principles and Eliashberg analyses, which identify the position of the niobium d-band relative to the Fermi level as the primary driver of electron-phonon coupling, critical temperature, and upper critical field, with lattice distortion serving as a secondary modifier that generally weakens coupling. We consolidate these findings into a detailed correlation map linking superconducting properties to electronic-structure fingerprints and vibrational signatures, establishing a mechanism-informed design strategy for superconducting high-entropy alloys with enhanced critical temperature and field.
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All authors Md Sabbir Hossen Bijoy, Vladislav Korostelev, Deva Prasaad Neelakandan, Harshil Goyal, Steven E. Porterfield, Youming Xu, Shuchen Li, Xi Chen, Mark Adams, Barton C. Prorok, Konstantin Klyukin, Chanho Lee, Fariborz Kargar

Strongly Correlated Electrons · Cross-listed from hep-th

Entanglement entropy and conformal bounds for $d=5$ CFTs

The entanglement entropy of spacetime regions $A$ in odd-dimensional conformal field theories (CFTs) contains a universal constant term, $(-1)^{\frac{d-1}{2}}F(A)$. This quantity can be robustly defined by considering the mutual information of pairs of slightly deformed versions of $A$. In the case of general three-dimensional CFTs, $F(A)$ is positive definite and bounded below by the round disk result, $F(A)\geq F_0\equiv F(\partial A=\mathbb{S}^1)$. Additionally, strong evidence has been provided that for every region $A$, $F(A)/F_0$ is maximized, within the space of CFT$_3$'s, by the free scalar field result. In this paper we show that while $F(A)$ remains a local minimum around $F_0\equiv F(\partial A=\mathbb{S}^3)$ for small deformations of the spherical entangling surface, it can take values of arbitrarily large magnitude with either sign for more general regions, and hence it is neither upper- nor lower-bounded in general CFT$_5$'s. We argue that an analogous conjecture regarding the extremization of $F(A)/F_0$ for general regions within the space of theories fails in $d=5$. We instead analyze the viability of the weaker bound, $F_{\epsilon}/F_0\leq \left[F_{\epsilon}/F_0\right]_{\text{free scalar}}$, $\forall$CFT$_5$ for general small geometric deformations of the spherical entangling surface. This is equivalent to a general constraint involving the stress-tensor two-point function $C_T$ and the Euclidean partition function on the sphere, namely, $C_T/F_0\leq \left[C_T/F_0\right]_{\text{ free scalar}}\approx 0.314$, which we show to hold for all known CFT$_5$'s. We also comment on possible extensions of this result to higher dimensions.
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All authors Pablo Bueno, Adam Fernández García, Francesco Gentile, Oscar Lasso Andino, Javier Moreno

Soft Condensed Matter

Osmotically Induced Shape Changes in Membrane Vesicles

We develop a self-consistent free-energy framework in which membrane shape and osmotic pressure are determined simultaneously in a finite reservoir by minimizing bending elasticity and solute entropy. Solute conservation makes osmotic pressure a thermodynamic variable rather than an externally prescribed parameter, producing a nonlinear coupling between membrane mechanics and solvent entropy. This coupling modifies the classical stability condition for spherical vesicles: instability emerges from global free-energy competition rather than the linear Helfrich stability criterion. The resulting critical pressures differ by orders of magnitude from Helfrich predictions and agree with simulations for small and large unilamellar vesicles. The framework is relevant to cellular environments involving biomolecular condensate confinement as well as synthetic vesicles and the development of osmotic-pressure-driven encapsulation platforms.
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All authors Rajiv G Pereira, Biswaroop Mukherjee, Sanjeev Gautam, Mattiangelo D'Agnese, Subhadip Biswas, Rachel Meeker, Buddhapriya Chakrabarti

Materials Science

Revealing Strain and Disorder in Transition-Metal Dichalcogenides Using Hyperspectral Photoluminescence Imaging

Hyperspectral photoluminescence (HSPL) imaging provides spatially resolved spectral information for monolayer transition-metal dichalcogenides (TMDs), enabling the detection of subtle variations in excitonic features that are not accessible with conventional optical or photoluminescence intensity imaging. We employ HSPL to map the microscopic spatial distribution of strain and disorder in hBN-encapsulated MoSe$_2$ and WSe$_2$ samples. Quantitative extraction of exciton, trion, and biexciton energies and linewidths reveals strain gradients and localized deformations, such as wrinkles and ripples. The technique allows for characterization of regions with uniform optical properties and identification of areas affected by micro-scale disorder, which may be missed by optical microscopy. Measurements on samples with different device architectures and fabrication processes demonstrate the general utility of hyperspectral PL imaging for assessing spatial heterogeneity and optoelectronic quality in two-dimensional materials.
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All authors Adam Alfrey, Cole Tait, Takashi Taniguchi, Kenji Watanabe, Steven T. Cundiff