Statistical Mechanics
Renormalization group analysis of directed percolation process: Towards multiloop calculation of scaling functions
Michal Hnatič, Matej Kecer, Tomáš Lučivjanský et al. (+1 more)
In this work, we employ a field-theoretic renormalization group approach to study a paradigmatic model of directed percolation. We focus on the perturbative calculation of the equation of state, extending the analysis to the three-loop order in the expansion parameter $\varepsilon = 4-d$. We show that a large group of the necessary three-loop Feynman diagrams can be mapped onto already existing three-loop results, and develop a technique for the calculation of the remaining – truly novel – ones. The described semi-analytic procedure is further used to verify existing two-loop results. The main aim of this study is to provide an update on this ongoing work, as full three-loop calculations utilizing the described procedure are in progress.
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All authors Michal Hnatič, Matej Kecer, Tomáš Lučivjanský, Lukáš Mižišin
Materials Science · Cross-listed from astro-ph.EP
Revealing Exotic Nanophase Iron in Lunar Samples Through Impact-Driven Spatial Fingerprints
Ziyu Huang and Masatoshi Hirabayashi
Nanophase iron (npFe) plays a crucial role in controlling the optical, chemical, and physical
evolution of lunar regolith grains. While in-situ formation of npFe via reduction of native Fe-bearing minerals has long been considered a dominant pathway, recent mineralogical evidence from X.Zeng et al. (2025) reveals that the source of a significant fraction of npFe may be delivered directly by exotic micrometeoroid impacts (exotic npFe). Yet the atomic-scale processes governing how exotic np-Fe forms and survives during hypervelocity impacts remain largely unknown. To quantitatively compare in-situ and exotic delivery and formation of npFe, we perform a series of innovative atomistic modeling of micrometeoroid impacts with distinct projectile target compositions: (1) SiO$_2$ projectiles on Fe$_2$SiO$_4$ targets (in-situ formation), (2) Fe$_2$SiO$_4$ projectiles on SiO$_2$ targets (exotic delivery). Our results reveal distinct mechanistic fingerprints: in-situ np-Fe forms diffusely and radially around the impact site, whereas exotic np-Fe is efficiently retained and concentrated in asymmetric, momentum-aligned clusters. These contrasting spatial signatures provide a potential diagnostic criterion for distinguishing exotic versus in-situ np-Fe in returned lunar soils. In agreement with Chang'e-5 observations, our simulations demonstrate that exotic np-Fe production can be substantial, particularly in Fe-poor terrains such as highland regions. These findings highlight the need to account for exotic np-Fe when interpreting space weathering processes and remote-sensing data for the Moon and other airless bodies.
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Mesoscale and Nanoscale Physics
Jamming-controlled stochasticity in metal-insulator switching
Nicolò D'Anna, Nareg Ghazikhanian, Katherine Matthews et al. (+5 more)
Understanding and controlling phase transitions is a fundamental part of physics and has been central to many technological revolutions, from steam engines to field-effect transistors. At present, there is strong interest in materials with strongly coupled structural and electronic phase transitions, which hold promise for energy-efficient technologies. Utilizing a structural phase transition and controlling its plasticity naturally leads to built-in
memory, a key feature for emulating
neurons and synapses in neuromorphic technologies. Here, $\textit{operando}$ Bragg X-ray
photon correlation spectroscopy is used to study the
evolution of the nano-domain distribution at the micron-scale in neuromorphic devices made from the archetypal Mott
insulator vanadium dioxide. It is found that after electrical switching, slow nano-domain reconfiguration occurs on timescales of thousands of seconds and that the domains undergo a jamming transition, offering control over switching stochasticity at the micron scale. More precisely, repetitive above-threshold currents plastically drive the system into a jammed/glassy state where switching becomes deterministic, while sub-threshold currents erase the short-term
memory contained in the nano-domain distribution, recovering
stochastic switching, thus offering a path for in-device learning. The results illustrate the importance of studying the nanoscale physics associated with phase transitions in strongly correlated materials, even for macroscopic devices, and offer guidance for future device operation schemes.
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All authors Nicolò D'Anna, Nareg Ghazikhanian, Katherine Matthews, Daseul Ham, Su Yong Lee, Alex Frano, Ivan K. Schuller, Oleg Shpyrko
Statistical Mechanics · Cross-listed from quant-ph
Resource-Scalable Fully Quantum Metropolis-Hastings for Integer Linear Programming
Gabriel Escrig, Roberto Campos and M. A. Martin-Delgado
Integer linear programming (ILP) remains computationally challenging due to its NP-complete nature despite its central role in scheduling, logistics, and design optimization. We introduce a fully
quantum Metropolis-Hastings
algorithm for ILP that implements a coherent random walk over the discrete feasible region using only reversible
quantum circuits, without
quantum-RAM assumptions or classical pre/post-processing. Each walk step is a
unitary update that prepares coherent candidate moves, evaluates the objective and constraints reversibly – including a constraint-satisfaction counter to enforce feasibility – and encodes Metropolis acceptance amplitudes via a low-overhead linearized rule. At the logical level, the construction uses $\mathcal{O}(n\log_2 N)$
qubits to represent $n$ integer variables over the interval $[-N,\,N-1]$, and the Toffoli-equivalent cost per Metropolis step grows linearly with the total logical
qubit count. Using explicit ripple-carry adder constructions, we support linear objectives and mixed equality/inequality constraints. Numerical
circuit-level simulations on a broad ensemble of randomly generated instances validate the predicted linear resource scaling and exhibit progressive thermalization toward low-cost feasible solutions under the annealing schedule. Overall, the method provides a coherent, resource-characterized baseline for fully
quantum constraint programming and a foundation for incorporating additional
quantum speedups in combinatorial optimization.
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Statistical Mechanics · Cross-listed from quant-ph
Long-Range Pairing in the Kitaev Model: Krylov Subspace Signatures
Rishabh Jha and Heiko Georg Menzler
Krylov subspace methods quantify operator growth in
quantum many-body systems through Lanczos coefficients that encode how operators spread under time
evolution. Although these diagnostics were originally motivated by questions of chaos and integrability, quadratic fermionic
Hamiltonians are often expected to exhibit trivial Lanczos structure. Here we show that, in the long-range Kitaev chain, Lanczos coefficients generated from local boundary operators sharply diagnose whether the lowest excitation gap is controlled by boundary-localized or bulk-extended modes. We introduce the $Krylov$ $staggering$ $parameter$ for the Lanczos coefficients. In the short-range Kitaev chain with balanced hopping and pairing, we derive analytically for arbitrary system size (valid in the thermodynamic limit) and show that this quantity is exactly constant and its sign cleanly distinguishes the topological phase with Majorana edge modes from the trivial phase. Away from that limit, long-range couplings and pairing-hopping imbalance deform the simple flat structure and analytical control is lost, nevertheless, we show that the sign pattern of the diagnostic still tracks whether the lowest excitation gap is controlled by boundary modes or by bulk excitations. These results are enabled by an exact single-particle operator Lanczos
algorithm, as derived in this work, which reduces the recursion from exponentially large operator space to a finite-dimensional linear problem and achieves machine precision for chains of hundreds of sites. Krylov diagnostics thus emerge as practical probes of boundary-versus-bulk low-energy physics in topological
superconductors with broken $U(1)$
symmetry and algebraically decaying couplings.
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Strongly Correlated Electrons
Lieb-Schultz-Mattis constraints from stratified anomalies of modulated symmetries
Salvatore D. Pace and Daniel Bulmash
We introduce stratified
symmetry operators and stratified anomalies in
quantum lattice systems as generalizations of onsite
symmetry operators and onsite projective representations. A stratified
symmetry operator is a
symmetry operator that factorizes into mutually independent subsystem
symmetry operators; its stratified anomaly is defined as the collection of anomalies associated with these subsystem operators. We develop a cellular chain complex formalism for stratified anomalies of internal
symmetries and show that, in the presence of crystalline
symmetries, they give rise to Lieb-Schultz-Mattis (LSM) constraints. This includes LSM anomalies and SPT-LSM
theorems. We apply this framework to modulated $G$
symmetries, which are
symmetries whose total
symmetry group is ${G_\mathrm{tot} = G \rtimes G_\mathrm{s}}$, with $G_\mathrm{s}$ the crystalline
symmetry group. Notably, a nonzero stratified anomaly within a fundamental domain of $G_\mathrm{s}$ (e.g., a unit
cell) does not always imply an LSM anomaly for modulated
symmetries. Instead, the existence of an LSM anomaly also depends on how $G_\mathrm{s}$ acts on $G$. When $G_\mathrm{s}$ is the
lattice translation group, we find an explicit criterion for when a stratified anomaly causes an LSM anomaly, and classify LSM anomalies using homology groups of $G_\mathrm{s}$-invariant cellular chains. We illustrate this through examples of exponential and dipole
symmetries with stratified anomalies, both in ${(1+1)}$D and ${(2+1)}$D, and construct a stabilizer code model of a modulated SPT subject to an SPT-LSM
theorem.
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Statistical Mechanics · Cross-listed from hep-ph
Thermal precondensation in gauge-fermion theories
Álvaro Pastor-Gutiérrez, Jan M. Pawlowski and Franz R. Sattler
Precondensation is a peculiar phenomenon in phase transitions, characterised by the occurrence of a condensate only over a finite range of length scales. It is closely connected to the emergence of domains, pseudo-gapped phases and spatial inhomogeneities in
equilibrium. In this work, we show its occurrence in gauge-
fermion theories in the
chiral limit, close to the thermal
chiral phase transition. We further show that the precondensation regime becomes increasingly pronounced and extends over a wider temperature range as the number of
fermion flavours is increased. We analyse the underlying dynamics which is shared by a broad class of fermionic systems, ranging from condensed matter to high-energy physics. Specifically, we discuss the potential relevance of this phenomenon for physics beyond the Standard Model.
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Disordered Systems and Neural Networks
Unlearnable phases of matter
Tarun Advaith Kumar, Yijian Zou, Amir-Reza Negari et al. (+2 more)
We identify fundamental limitations in machine learning by demonstrating that non-trivial mixed-state phases of matter are computationally hard to learn. Focusing on unsupervised learning of distributions, we show that autoregressive neural networks fail to learn global properties of distributions characterized by locally indistinguishable (LI) states. We demonstrate that conditional mutual information (CMI) is a useful diagnostic for LI: we show that for classical distributions, long-range CMI of a state implies a spatially LI partner. By introducing a restricted statistical query model, we prove that nontrivial phases with long-range CMI, such as strong-to-weak spontaneous
symmetry breaking phases, are hard to learn. We validate our claims by using recurrent, convolutional, and
Transformer neural networks to learn the syndrome and physical distributions of toric/surface code under bit flip noise. Our findings suggest hardness of learning as a diagnostic tool for detecting mixed-state phases and transitions and error-correction thresholds, and they suggest CMI and more generally “non-local Gibbsness” as metrics for how hard a distribution is to learn.
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All authors Tarun Advaith Kumar, Yijian Zou, Amir-Reza Negari, Roger G. Melko, Timothy H. Hsieh
Statistical Mechanics · Cross-listed from quant-ph
Quantum computing with anyons is fault tolerant
Anasuya Lyons and Benjamin J. Brown
In seminal work (arxiv:quant-ph/9707021) Alexei Kitaev proposed topological
quantum computing (arXiv:cond-mat/0010440, arxiv:quant-ph/9707021, arXiv:quant-ph/0001108, arXiv:0707.1889), whereby logic gates of a
quantum computer are conducted by creating, braiding and fusing anyonic particles on a two-dimensional plane. Furthermore, he showed the proposal is inherently robust to local perturbations (arXiv:cond-mat/0010440, arxiv:quant-ph/9707021, arXiv:1001.0344, arXiv:1001.4363) when anyons are created as quasiparticle excitations of a topologically ordered
lattice model prepared at zero temperature. Over the decades following this proposal there have been considerable technological developments towards the construction of a fault-tolerant
quantum computer. Rather than maintaining some target ground state at zero temperature, a modern approach is to actively correct the errors a target state experiences, where we use noisy
quantum circuit elements to identify and subsequently correct for deviations from the ideal state. We present an error-correction scheme that enables us to carry out robust universal
quantum computation by braiding anyons. We show that our scheme can be carried out on a suitably large device with an arbitrarily small failure rate assuming
circuit elements are below some threshold level of local noise. The error-corrected scheme we have developed therefore enables us to carry out fault-tolerant topological
quantum computation using modern
quantum hardware that is now under development.
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Statistical Mechanics · Cross-listed from hep-th
Generalizing Deconfined Criticality to 3D $N$-Flavor $\mathrm{SU}(2)$ Quantum Chromodynamics on the Fuzzy Sphere
Emilie Huffman, Zheng Zhou, Yin-Chen He et al. (+1 more)
The infra-red behaviour of gauge theories coupled to matter remains an open problem in
quantum field theory. For a given gauge group, such theories are expected to flow to an interacting conformal fixed point over a range of
fermion or scalar flavours, known as the `conformal window.' Their nature is important for understanding critical phases and phase transitions beyond the Landau paradigm like the deconfined
quantum critical point (DQCP), yet remains challenging for conventional non-perturbative approaches. In this work, we study a family of fuzzy-sphere models corresponding to non-linear sigma models with $\mathrm{Sp}(N)$ global
symmetry extended to the strongly-coupled region. These theories are expected have an infra-red fixed point described by $\mathrm{SU}(2)$
quantum chromodynamics (QCD) in three space-time dimensions with $N$ flavours of
fermions. They can be viewed as a generalisation of the $\mathrm{SO}(5)$ DQCP, corresponding to $N=2$. We investigate them using
quantum Monte Carlo for $N$ up to $16$. We find evidence that for $N\geq4$ the phase diagram contains a critical phase that appears to be absent for $N=2$. Within this phase, we measure the two-point correlation function and the excitation spectrum, which exhibit emergent conformal
symmetry. We also extract the scaling dimension $\Delta_\phi$ of a leading operator and find consistency with large-$N$ expectations.
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All authors Emilie Huffman, Zheng Zhou, Yin-Chen He, Johannes S. Hofmann
Strongly Correlated Electrons
Sondheimer magneto-oscillations as a probe of Fermi surface reconstruction in underdoped cuprates
Alexander Nikolaenko, Carsten Putzke, Philip J. W. Moll et al. (+2 more)
Determining the
Fermi surface (FS) volume in underdoped cuprates is crucial for understanding the nature of the strongly correlated pseudogap phase. Conventional
quantum oscillation techniques, typically used for this purpose, are inapplicable in this high-temperature regime due to thermal and disorder-induced smearing of Landau levels. We propose Sondheimer oscillations (SO), semiclassical oscillations of in-plane magnetoresistivity in thin films, as a robust alternative probe of FS reconstruction. SO arise from the commensuration between the cyclotron radius and film thickness, do not rely on Landau quantization, and remain observable at moderate fields and elevated temperatures where
quantum oscillations are suppressed. Their frequencies depend solely on the FS parameters (e.g.,
curvature), and not on specific details of scattering mechanisms. SO are also sensitive to the coherence of inter-layer tunneling, allow contributions from individual FS pockets to be distinguished in the frequency domain, and naturally include the Yamaji angle effect (if present in the system) as a prominent feature in the frequency spectrum. We compute SO spectra as a function of the
magnetic field orientation for three representative scenarios: (i) an unreconstructed large FS, (ii) a
spin density wave reconstructed FS with volume $p/4$, and (iii) a fractionalized
Fermi liquid (FL$^*$) with pocket volume $p/8$ (here $p$ is the hole doping). We show that the SO spectrum offers a wealth of universal features that could be used to differentiate between these scenarios. In particular, we highlight a FS geometry-dependent phase shift between oscillations in longitudinal and transverse conductivities, characterize how the FS
curvature can be extracted from SO if the film orientation is perpendicular to the crystallographic $c$-axis, and analyze the
evolution of the SO spectrum with doping.
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All authors Alexander Nikolaenko, Carsten Putzke, Philip J. W. Moll, Subir Sachdev, Pavel A. Nosov
Strongly Correlated Electrons
p wave Magnetism and Gate-Tunable Edelstein Response in van der Waals Heterostructures
Hanbyul Kim, Chan Bin Bark, Seik Pak et al. (+2 more)
Odd-parity magnetism has attracted significant interest for its unconventional
spin splitting. However, a concrete microscopic route for its realization remains elusive. In this work, we propose van der Waals
heterostructures of stripe antiferromagnets (sAFMs) as an ideal platform for electrically controllable $p$-wave magnetism. In the sAFM/metal/sAFM structure, the leading RKKY-type exchange interaction is canceled due to the
symmetry of the stacking pattern. This exposes a higher-order biquadratic interaction as a dominant contribution that drives a filling-controlled transition from a collinear phase to an orthogonal $p$-wave configuration. The resulting $p$-wave phase exhibits a gate-tunable Edelstein response, which originates from
magnetic symmetry breaking rather than conventional relativistic
spin-momentum locking and remains robust even under substantial
spin-orbit coupling. Finally, we propose material candidates for the realization of our theory. Our results establish van der Waals
heterostructures as a practical platform for non-relativistic spintronics with electric control of odd-parity
spin textures.
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All authors Hanbyul Kim, Chan Bin Bark, Seik Pak, Gibaik Sim, Moon Jip Park
Mesoscale and Nanoscale Physics
Quasiperiodicity-induced non-Hermitian skin effect from the breakdown of scale-free localization
Kazuma Saito, Ryo Okugawa, Kazuki Yokomizo et al. (+2 more)
Non-reciprocal systems exhibit extreme sensitivity to boundary conditions, typically manifesting as the non-Hermitian skin effect (NHSE) under open boundaries. By bridging the boundaries with a tunable
impurity bond, one can access intermediate regimes where scale-free localization (SFL) can emerge. Here, we investigate the competition between such boundary coupling and quasiperiodic disorder in a one-dimensional non-reciprocal
lattice. Our analyses reveal a quasiperiodicity-induced breakdown of the SFL regime, which evolves into either the NHSE or an extended regime, depending on boundary conditions. These results uncover the crucial roles of boundary effects and quasiperiodicity in non-Hermitian systems.
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All authors Kazuma Saito, Ryo Okugawa, Kazuki Yokomizo, Takami Tohyama, Chen-Hsuan Hsu
Strongly Correlated Electrons
Mapping reservoir-enhanced superconductivity to near-long-range magnetic order in the undoped one-dimensional Anderson and Kondo lattices
J. E. Ebot, Lorenzo Pizzino, Sam Mardazad et al. (+3 more)
The undoped Kondo necklace in 1D is a paradigmatic and well understood model of a Kondo
insulator. This work performs the first large-scale study of the 1D Anderson-
lattice underlying the Kondo necklace with quasi-exact numerical methods, comparing this with the perturbative effective 1D Kondo-necklace model derived from the former. This study is based on an exact mapping of the Anderson model to one of a superconducting pairing layer connected to a metallic reservoir which is valid in arbitrary spatial dimensions, thereby linking the previously disparate areas of reservoir-enhanced superconductivity, following Kivelson's pioneering proposals, and that of periodic Kondo-systems. Our work reveals that below the length-scales on which the insulating state sets in, which can be very large, superconducting and density-density correlations are degenerate and may both appear to approach an almost ordered state, to a degree that far exceeds that of any isolated 1D pairing layer with short-range interactions. We trace these effects to the effective extended-range coupling that the metallic layer mediates within the pairing layer. These results translate directly to the appearance of near-long-range
magnetic order at intermediate scales in the Kondo-systems, and explain the strong renormalization of the RKKY-coupling that we effectively observe, in terms of the back-action of the pairing layer onto the metallic layer. The effects we predict could be tested either by local probes of quasi-1D heavy
fermion compounds such as CeCo$_2$Ga$_8$, in engineered chains of ad-atoms or in ultracold atomic gases.
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All authors J. E. Ebot, Lorenzo Pizzino, Sam Mardazad, Johannes S. Hofmann, Thierry Giamarchi, Adrian Kantian
Superconductivity · Cross-listed from eess.SP
Reed-Muller Error-Correction Code Encoder for SFQ-to-CMOS Interface Circuits
Yerzhan Mustafa, Berker Peköz and Selçuk Köse
Data transmission from superconducting digital electronics such as single flux
quantum (SFQ) logic to
semiconductor (CMOS)
circuits is subject to bit errors due to, e.g., flux trapping, process parameter variations (PPV), and fabrication defects. In this paper, a lightweight hardware-efficient error-correction code encoder is designed and analyzed. Particularly, a Reed-Muller code RM(1,3) encoder is implemented with SFQ digital logic. The proposed RM(1,3) encoder converts a 4-bit message into an 8-bit codeword and can detect and correct up to 3- and 1-bit errors, respectively. This encoder
circuit is designed using MIT-LL SFQ5ee process and SuperTools/ColdFlux RSFQ
cell library. A simulation framework integrating JoSIM simulator and MATLAB script for automated data collection and analysis, is proposed to study the performance of RM(1,3) encoder. The proposed encoder improves the probability of having no bit errors by 6.7% as compared to an encoder-less design under $\pm20\%$ PPV. With $\pm15\%$ and lower PPV, the proposed encoder could correct all errors with at least 99.1% probability. The impact of fabrication defects such as open
circuit faults on the encoder
circuit is also studied using the proposed framework.
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Materials Science · Cross-listed from cs.LG
From Natural Language to Materials Discovery:The Materials Knowledge Navigation Agent
Genmao Zhuang and Amir Barati Farimani
Accelerating the discovery of high-performance materials remains a central challenge across energy, electronics, and aerospace technologies, where traditional workflows depend heavily on expert intuition and computationally expensive simulations. Here we introduce the Materials Knowledge
Navigation Agent (MKNA), a
language-driven system that translates natural-
language scientific intent into executable actions for database
retrieval, property prediction, structure generation, and stability evaluation. Beyond automating tool invocation, MKNA autonomously extracts quantitative thresholds and chemically meaningful design motifs from literature and database evidence, enabling data-grounded hypothesis formation. Applied to the search for high-Debye-temperature ceramics, the
agent identifies a literature-supported screening criterion (Theta_D > 800 K), rediscovers canonical ultra-stiff materials such as diamond, SiC, SiN, and BeO, and proposes thermodynamically stable, previously unreported Be-C-rich compounds that populate the sparsely explored 1500-1700 K regime. These results demonstrate that MKNA not only finds stable candidates but also reconstructs interpretable design heuristics, establishing a generalizable platform for autonomous,
language-guided materials exploration.
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Mesoscale and Nanoscale Physics
Floquet Control of Electron and Exciton Transport in Kekulé-Distorted Graphene
Sita Kandel and Godfrey Gumbs
This work investigates the Floquet dynamics of electrons and
excitons (particle-hole pairs) in a Dirac material referred to as Kekulé-distorted
graphene. Specifically, we examine the role played by a high frequency driving electromagnetic field on the tunneling and blocking by a potential barrier on both the charged single particles as well as the neutral composite particles. We demonstrate that the small effective masses of the electron and hole for the energy spectrum of this Kekulé distorted
graphene leads to practically almost perfect transmission across a symmetric potential barrier for any angle of incidence of impinging
excitons. However, this unexpected Klein paradox for
excitons does not hold for the single-particle electrons. The reduced total transmission of electron due to Kekulé distortion is more suppressed due to irradiation. Additionally, we calculate and investigate the
exciton binding energy since the
quantum tunneling of a bound electron-hole pair across a potential barrier is governed by its mass measured in the center of mass and binding energy of the composite pair. Thus, irradiation with circularly polarized light fundamentally modifies
exciton formation, coherence and transport properties, thereby producing unusual topological behaviors. These behaviors are unlike conventional Dirac materials. Possible technical applications of the results arising from our investigation include valleytronics due to the folding of the valleys, thereby making intervalley coupling feasible. Other practical applications include optoelectronics due to Floquet tuning of energy spectrum and transport properties.
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Statistical Mechanics
Nonreciprocal many-body physics
Michel Fruchart and Vincenzo Vitelli
Reciprocity is a fundamental
symmetry present in many natural phenomena and engineered systems. Distinct situations where this
symmetry is broken are typically grouped under the umbrella term "nonreciprocity", colloquially defined by: the action of A on B $\neq$ the action of B on A. In this review, we elucidate what nonreciprocity is by providing an introduction to its most salient classes: nonvariational dynamics, violations of Newton's third law, broken detailed balance, nonreciprocal responses and nonreciprocity of arbitrary linear operators. Next, we point out where to find these manifestations of non-reciprocity, from ensembles of particles with field mediated interactions to synthetic neural networks and open
quantum systems. Given this breadth of contexts and the lack of an all-encompassing definition, it makes it all the more intriguing that some general conclusions can be gathered, when distinct definitions of nonreciprocity overlap. We explore what these universal consequences are with a special emphasis on collective phenomena that arise in nonreciprocal many-body systems. The topics covered include nonreciprocal phase transitions and non-normal amplification of noise and perturbations. We conclude with some open questions.
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Soft Condensed Matter
Reentrance in a Hamiltonian flocking model
Letian Chen and Luke K. Davis
The clustering of self-motile and repulsive particles, so-called motility-induced phase separation (MIPS), is one of the clearest signatures of active physics. Typically, increasing the amplitude of self-motility increases the degree of clustering, however for high enough self-motility the homogeneous phase is reentered. Here, we report that such reentrance naturally emerges in a
Hamiltonian (conservative) model known to recapitulate properties of (active) bird flocks, and exhibits clustering behaviour reminiscent of MIPS. We numerically demonstrate the reentrance of the homogeneous phase and identify the underlying mechanism as a competition between the amplitude of a
spin-velocity coupled drive and mobility-limited kinetic frustration. Specifically, we reveal that strong
spin-velocity coupling suppresses transverse
diffusion, thereby leading the system into an arrest that closes the window for phase separation. Overall, our work offers a
Hamiltonian, conservative, bridge between reentrant physics across
equilibrium and non-
equilibrium materials.
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Soft Condensed Matter
Spontaneous phase separation and pattern formation in a lyotropic nematic mixture
A. Bensabat, O. Skelton, J. Arlt et al. (+5 more)
Lyotropic
liquid crystals can display rich phase behaviour and self-organisation, yet the physical principles underlying their self-assembly into large scale patterns remains understudied. Here, we combine theory, simulations and experiments on Sunset Yellow-water chromonic mixtures to show that such materials spontaneously phase separate, even without assuming any underlying microscopic attraction between the molecular species. In our minimal model, demixing depends solely on the Onsager-like coupling between local nematogen density and orientational order. If such a coupling is sufficiently strong, nematic defects trigger the nucleation of isotropic droplets, which then coalesce due to elastic or interfacial tensions. We further show that strong anchoring of the director field at the interface arrests this coarsening process, resulting in a stable microphase separated lamellar pattern. This self-assembled smectic phase has striking and unusual features, including spontaneous undulations, heterogeneous layer spacing, long-lived glassy defect patterns and lamellar onions. Our results identify orientational-density coupling and elastocapillarity as fundamental mechanisms to guide self-assembly in lyotropic and chromonic
liquid crystals.
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All authors A. Bensabat, O. Skelton, J. Arlt, M. Bjelogrlic, D. Marenduzzo, G. Negro, T. N. Shendruk, T. A. Wood
Statistical Mechanics
Data-Efficient Multidimensional Free Energy Estimation via Physics-Informed Score Learning
Daniel Nagel and Tristan Bereau
Many biological processes involve numerous coupled degrees of freedom, yet free-energy estimation is often restricted to one-dimensional profiles to mitigate the high computational cost of multidimensional sampling. In this work, we extend Fokker–Planck Score Learning (FPSL) to efficiently reconstruct two-dimensional free-energy landscapes from non-
equilibrium molecular dynamics simulations using different types of collective variables. We show that explicitly modeling orthogonal degrees of freedom reveals insights hidden in one-dimensional projections at negligible computational overhead. Additionally, exploiting
symmetries in the underlying landscape enhances reconstruction accuracy, while regularization techniques ensure numerical robustness in sparsely sampled regions. We validate our approach on three distinct systems: the conformational dynamics of alanine dipeptide, as well as coarse-grained and all-atom models of solute permeation through lipid
bilayers. We demonstrate that, because FPSL learns a smooth score function rather than histogram-based densities, it overcomes the exponential scaling of grid-based methods, establishing it as a data-efficient and scalable tool for multidimensional free-energy estimation.
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Statistical Mechanics
Stochastic synthesis-degradation processes: first-passage properties and connections with resetting
Gabriel Mercado-Vásquez and Denis Boyer
Processes controlled by
stochastic synthesis and degradation (SSD) are widespread in biology but their reaction kinetics are not well understood. Using methods borrowed from the theory of resetting processes, we determine the first-passage properties of a collection of independent particles that are synthesized and degraded at constant rates, and follow an arbitrary diffusive motion. At equal synthesis and degradation rates, the mean reaction time with a target site can be minimized as in
stochastic resetting, and a $CV$-criterion is derived. When the degradation rate is held fixed and the synthesis costs are taken into account, an optimal synthesis rate is obtained. In bounded domains, despite particle degradation, SSD improves the mean search time compared to a single non-degrading particle if the synthesis rate exceeds a critical value which obeys a universal relation. We illustrate these findings with Brownian
diffusion on the infinite line and in an interval.
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Materials Science
Long-range electrostatics in atomistic machine learning: a physical perspective
Federico Grasselli, Kevin Rossi, Stefano de Gironcoli et al. (+1 more)
The inclusion of long-range electrostatics in atomistic machine learning (ML) is receiving increasing
attention for achieving
quantum-mechanical accuracy in predicting a wide range of molecular and material properties. However, there is still no general prescription for how long-range physical effects should be incorporated into a model while preserving the well-established locality principles underlying most transferable ML representations. Here, we provide a physical perspective on this problem by discussing how distinct contributions to a system's electrostatics can be captured through different learning paradigms. Specifically, we distinguish between local charge models, which rely either on explicit charge-density decompositions or implicit auxiliary variables, and models in which a notion of nonlocality is deliberately introduced, either via self-consistent procedures or by using nonlocal descriptors and learning architectures. We further address the related aspect of incorporating finite-field effects through coupling to the system's polarization, relevant for applications involving an external electric bias. We conclude by discussing implications for simulations of electrochemical interfaces, where long-range electrostatics are essential to capture the interplay between charge redistribution, interfacial dynamics, and ionic screening, as well as for ionic transport phenomena, which, although less explored, appear far less sensitive to their inclusion.
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All authors Federico Grasselli, Kevin Rossi, Stefano de Gironcoli, Andrea Grisafi
Materials Science
Growth and Transport Properties of InAsSb Nanoflags
Sebastian Serra, Gaurav Shukla, Giada Bucci et al. (+5 more)
The present work reports, for the first time, the growth of high-quality free-standing InAsSb nanoflags and their electronic properties. Different growth conditions have been explored, and zinc-blende InAsSb nanoflags of various composition have been obtained. In particular, InAs0.77Sb0.23 nanoflags are on average (2000+-180) nm long, (640+-50) nm wide, and (130+-30) nm thick. We show that these nanoflags have a Landé g-factor larger than InAs and InSb and a mobility comparable to those of the best performing InAs and InSb nanoflags. Besides, we show evidence for a surface
Fermi level pinning in the conductance band of these InAs0.77Sb0.23 nanoflags, similar to the well-known behavior of InAs. This promises to make InAsSb easy to couple to
superconductors, while keeping or improving many of the features that make InSb an interesting material for
quantum applications.
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All authors Sebastian Serra, Gaurav Shukla, Giada Bucci, Robert Sorodoc, Valentina Zannier, Fabio Beltram, Lucia Sorba, Stefan Heun
Statistical Mechanics · Cross-listed from quant-ph
Ergotropic Mpemba crossings in finite-dimensional quantum batteries
Triyas Sapui, Tanoy Kanti Konar and Aditi Sen De
The
quantum Mpemba effect is a counterintuitive phenomenon in which a state initially farther from
equilibrium relaxes more rapidly than one that starts nearer to
equilibrium. In the context of finite-dimensional
quantum batteries interacting with an environment, we introduce the notion of an ergotropic Mpemba crossing (EMC), defined by the intersection of ergotropy trajectories during the dynamics. For
qubit batteries subjected to amplitude damping noise, we derive a condition for the occurrence of EMC in terms of the relative coherence of the initial states and fully characterize the region of state space that exhibits EMC with respect to a fixed reference state. Interestingly, our analysis reveals that under anisotropic Pauli noise, the emergence of EMC is jointly governed by the coherence and the energy of the initial states. To elucidate the physical origin of EMC, we decompose ergotropy into coherent and incoherent contributions and show that, in
qubit systems, the coherent component plays a crucial role for EMC, an observation that strikingly does not extend to three-level batteries, providing the dimensional role in observing EMC. Further, by extending our analysis to non-Markovian environments, we demonstrate that, unlike the Markovian case, non-Markovian dynamics can give rise to multiple Mpemba crossings, with the total number of crossings always being odd. Also, we propose a set-up showing that EMC can be utilized to suppress the ergotropic loss, occurred due to dissipation. Moreover, analyzing the connection between the EMC and the conventional state Mpemba effect reveals that, for
qubits, an EMC necessarily entails a state Mpemba crossing, while this correspondence breaks down for qutrits, where EMCs may arise without any state Mpemba crossing.
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Mesoscale and Nanoscale Physics
Pseudorotation and N-body Forces in an Optical Matter System
John Linderman, Shiqi Chen, Yanzeng Li et al. (+3 more)
Isomerization in molecular systems almost invariably occurs through 3-dimensional motion due to the nature of chemical bonding. Pseudorotation is an unusual type of isomerization that occurs in some high
symmetry systems that gives the appearance of rigid-body rotation yet only involves atom rearrangements. This paper demonstrates that pseudorotation occurs in 2-dimensions in an optical matter (OM) system of metal nanoparticle constituents. The difference in dimensionality of the dynamics arises from the electrodynamic field-interference nature of optical binding vs.
quantum mechanical bonding in polyatomic molecules. The 8-nanoparticle OM "kite" structure we study in experiments and simulations has D2 (D2h)
symmetry and a D4 symmetric transition state. The mechanism for pseudorotation involves correlated motion of all 8 nanoparticles with smooth (continuous)
evolution of their interactions and without particles jumping in or out of the OM array. While the OM kite structure only occurs with 10% probability vs. other OM isomers, its rate of pseudorotation is rapid relative to transitions to other structural isomers (e.g., "teardrop"). The other isomers have structures that lie on a trigonal
lattice with inter-particle separations at distances that enhance field interference and induced polarizations. Even though the kite isomer has inter-particle separations that would manifest destructive interference on a particle pair (i.e., 2-body) basis, the kite structure is the slowest to rearrange into any other isomer. We show that the unusual structure and dynamics of the kite optical matter system result from N-body interactions and forces demonstrating that N-body effects are important in this class of active matter and presumably more generally.
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All authors John Linderman, Shiqi Chen, Yanzeng Li, Alexandria Hoehn, Stuart A. Rice, Norbert F. Scherer
Superconductivity
Vertically Correlated Disorder and Structured Interlayer Tunneling in Cuprates
E.Yu. Beliayev, Y.K. Mishra, I.G. Mirzoiev et al. (+2 more)
Cuprate
superconductors display robust in-plane electronic correlations but exceptionally fragile interlayer coherence. We suggest that even weak vertically correlated disorder (arising from interstitial-oxygen staging, twin boundaries, extended strain fields, or defect-pinned charge textures) can impose a layer-dependent modulation of the interlayer tunneling amplitude t(z). Because the bare interlayer coupling is intrinsically small, such modulations generate an effectively multichannel c-axis electrodynamic response, consistent with multi-component Josephson
plasma resonances, nonmonotonic c-axis resistivity, redistribution of
bilayer magnetic spectral weight, and field-enhanced vertical CDW correlations. We propose a phenomenological framework in which the organization of disorder, rather than its magnitude, governs the effective interlayer coupling and its electrodynamic signatures. This viewpoint unifies diverse c-axis anomalies across several cuprate families, suggesting that controlling vertical disorder correlations offers a viable pathway for tuning dimensionality and interlayer coherence in high-Tc
superconductors.
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All authors E.Yu. Beliayev, Y.K. Mishra, I.G. Mirzoiev, V.V. Andrievskii, A.V. Terekhov
Strongly Correlated Electrons
Quantum critical behavior of cuprate superconductors observed by inelastic X-ray scattering
H. Y. Huang, C. Y. Mou, A. Singh et al. (+7 more)
Progress toward a complete understanding of cuprate
superconductors has been hindered by their intricate phase diagram, potentially linked to a
quantum critical point (QCP). However, conclusive evidence for the QCP is lacking, as the presumed QCP is buried under the superconducting dome, disguising its presence. Here, we use high-resolution resonant inelastic X-ray scattering to examine the dynamical charge-charge correlation in La$_{2-x}$Sr$_x$CuO$_4$ and uncover the
quantum critical scaling, a key feature required for a QCP. Specifically, \djh{we observed that the inverse correlation lengths for various dopings and temperatures collapsed onto a universal scaling curve, yielding a critical exponent $\nu$ of $0.74 \pm 0.08$. The non-negativity of this exponent confirms the presence of a QCP. Remarkably, the value of $\nu$ suggests that while the QCP is manifested through the charge-density wave, other orders also participate, such that the QCP appears to belong to the universality class characterized by the O(4)
symmetry, reminiscent of the microscopic SO(4)
symmetry in the Hubbard model at half-filling. Further analysis indicates that the QCP is highly dissipative with a short quasi-particle lifetime, reflecting the intertwined
quantum fluctuations due to its being buried inside the superconducting state.
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All authors H. Y. Huang, C. Y. Mou, A. Singh, J. S. Su, J. Okamoto, S. Komiya, C. T. Chen, T. K. Lee, A. Fujimori, D. J. Huang
Statistical Mechanics · Cross-listed from physics.comp-ph
Noise-balanced multilevel on-the-fly sparse grid surrogates for coupling Monte Carlo models into continuum models with application to heterogeneous catalysis
Tobias Hülser and Sebastian Matera
Multiscale simulations utilizing high-fidelity, microscopic Monte Carlo models to provide the nonlinear response for continuum models can easily become computationally intractable. Surrogate models for the high-fidelity Monte Carlo models can overcome this but come with some challenges. One such challenges arise by the sampling noise in the underlying Monte Carlo data, which leads to uncontrolled errors possibly corrupting the surrogate even though it would be highly accurate in the case of noise-free data. Another challenge arises by the 'curse of dimensionality' when the response depends on many macro-variables. These points are addressed by a novel noise-balanced sparse grids interpolation approach which, in a quasi-optimal fashion, controls the amount of Monte Carlo sampling for each data point. The approach is complemented by a multilevel on-the-fly construction during the multiscale simulation. Besides its efficiency, a particularly appealing feature is the ease of use of the approach with only a single hyperparameter controlling the whole surrogate construction - from the surrogate's accuracy with guaranteed convergence to which data needs to be created with which accuracy. The approach is demonstrated on challenging examples from heterogeneous catalysis, coupling microscopic kinetic Monte Carlo models into macroscopic reactor simulations.
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Statistical Mechanics
Fluctuation-Response Design Rules for Nonequilibrium Flows
Ying-Jen Yang and Ken A. Dill
Biological machines like molecular motors and enzymes operate in dynamic cycles representable as
stochastic flows on networks. Current
stochastic dynamics describes such flows on fixed networks. Here, we develop a scalable approach to network design in which local transition rates can be systematically varied to achieve global dynamical objectives. It is based on the fluctuation-response duality in the recent Caliber Force Theory – a path-
entropy variational formalism for nonequilibria. This approach scales efficiently with network complexity and gives new insights, for example revealing the transition from timing- to branching-dominated fluctuations in a kinesin motor model.
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