Materials Science · Cross-listed from nlin.PS
Localization region detection with directionality estimation in a two-dimensional hexagonal crystal lattice model
Filips Kozirevs and Jānis Bajārs
This work is devoted to data-driven identification of discrete breathers in numerical simulations of a two-dimensional
crystal lattice using locally sampled wave data. Different
lattice wave
datasets are considered, with data collected from regions of different shapes and sizes defined by the
lattice particles in mechanical
equilibrium. Specifically, in addition to regions with a regular hexagonal shape, one- and quasi-one-dimensional regions reflecting the quasi-one-dimensionality of discrete breathers in two-dimensional hexagonal
crystal lattices are proposed. To improve numerical efficiency,
dataset dimensionality is reduced using Principal Component Analysis, and highly accurate Support Vector Machine classifiers are trained to distinguish between linear and nonlinear wave data. The obtained classifiers, together with the sliding window method, are applied to detect localization regions in two-dimensional hexagonal
crystal lattice numerical simulations. High-precision
algorithms for detected localization region
segmentation and localized wave directionality estimation within the detected regions are further proposed, and their performance is evaluated. The presented methods are successfully applied to detect localized waves and their collision regions, as well as their directionality, performing a numerical study of stationary and traveling two-dimensional discrete breather interactions. Qualitatively better results are obtained when considering wave-data collection regions respecting the quasi-one-dimensional nature of two-dimensional discrete breathers in the hexagonal
crystal lattice model.
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Materials Science · Cross-listed from quant-ph
Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search
Huajing Song
Quantum optimization offers a route to searching the large defect-configuration spaces that arise in materials design. We develop an end-to-end, constraint-aware
quantum optimization workflow for composition-defect search in a doped ZrO2 thermal-barrier-coating (TBC) material system, using a MACE-MPA-0 energy
dataset to fit a 24-variable QUBO over 8 cation-occupation and 16 oxygen-vacancy variables with exactly two rare-earth substitutions and one oxygen vacancy, yielding 448 feasible configurations. The QUBO surrogate reproduces the MACE energies with held-out R2 = 0.997 (full-data R2 = 0.999, RMSE = 17 meV). We validate two complementary
quantum pathways against exact enumeration: a constraint-preserving XY-mixer QAOA that confines sampling to the feasible subspace and places 86% of probability mass within 1 meV of the MACE optimum at depth p = 3, and a fault-tolerant constrained Grover Adaptive Search oracle with explicit fixed-point arithmetic, branch-safe comparison, feasibility checking, and phase kickback. Across threshold cases, the validated oracle uses 324 high-level logical
qubits, or 352 to 358 with conservative clean-ancilla v-chain accounting, and requires 3.6 to 4.3 x 104 Toffoli gates per Grover (GAS) iteration. An idealized feasible-space amplification estimate suggests up to a 240x reduction in total Toffoli cost relative to the full 224 occupation space, providing a resource-estimation bridge between materials-informed QUBO modeling, constraint-aware QAOA, and fault-tolerant threshold search.
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Statistical Mechanics
A Gauge-Theoretic Formulation of Nambu Non-equilibrium Thermodynamics
So Katagiri
We present a gauge-theoretic formulation of Nambu non-
equilibrium thermodynamics (NNET) within a common gauge-fixed worldline framework. In this formulation, the generalized thermodynamic force is described by an Abelian thermodynamic connection, and ordinary Onsager dynamics is recovered by fixing its temporal component through the dissipation function. To extend this construction to NNET, we introduce a closed two-form as additional
geometric input. This form determines a divergence-free Nambu vector field and thereby defines a characteristic direction on the extended thermodynamic state space. The Onsager gauge condition is then generalized so that the dissipative gauge fixing is imposed along this Nambu characteristic direction. The resulting constitutive relation reproduces the basic NNET
evolution equation, combining nondissipative Nambu circulation with dissipative Onsager relaxation. We further show that the localized BF-type expression is not an independent pre-gauge-fixed action, but a differential-form representation of the Nambu-adapted gauge-fixed worldline theory. The Faddeev–Popov operator associated with the BRST gauge fixing becomes, on shell, the negative of the material derivative along the full NNET flow, and its time-independent zero-mode profiles satisfy the same equation as first integrals of the deterministic dynamics. Finite residual transformations obey a Hamilton–Jacobi equation governed by the same Onsager tensor, implying that the gauge parameter is nonincreasing along the original NNET flow. These results provide a unified
geometric interpretation of Onsager dissipation and Nambu dynamics within a single gauge-fixing framework.
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Strongly Correlated Electrons
Evolution of anisotropic magnetostriction in LaMn1-xCoxO3 (x= 0.1-0.9)
M. Manikandan and R. Mahendiran
Polycrystalline samples of LaMn1-xCoxO3 series over a wide compositional range (x = 0.1 - 0.9) were synthesized by microwave irradiation of
oxide precursors and their
magnetic and magnetostrictive properties were investigated. Magnetostrictions parallel (l_par) and perpendicular (l_per) to the applied
magnetic field were measured to estimate anisotropic(l_anis) and volume magnetostrictions(l_vol). In all the compositions, l-par (l_per) is negative (positive) and (l_anis) >> (l_vol), suggesting dominance of anisotropic
lattice distortion under a
magnetic field. The value of l_anis at 10 K for H = 50 kOe initially increases with x from 178 ppm for x = 0.1 to a maximum of 1221 ppm at x = 0.5 before decreasing for higher x. The composition dependence of magnetostriction is asymmetric about x = 0.5, the decrease for x > 0.5 is more steeper than for x < 0.5 whereas saturation magnetization decreases monotonically with increasing x except for an abrupt change at x = 0.6. The largest anisotropic magnetostriction observed for x = 0.5 is attributed to the presence of high-
spin Co2+ ions with a non-zero orbital moment in the maximum fraction whereas Mn3+/4+ or Co3+ ions play minor roles. The composition dependence of magnetostriction is suggested to arise from changes in the structure, valence states of Mn and Co ions and
magnetic interactions among them.
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Materials Science · Cross-listed from physics.app-ph
Defect-Width-Tunable Resonant Elastic-Wave Transmission in Micro-Pillar Arrays
Alok Pokharel
Periodic micro-pillar
lattices integrated on elastic substrates provide a promising plat-form for controlling elastic-wave propagation through localized resonant interactions. In this work, defect-engineered resonant transmission in periodic tungsten micro-pillar arrays deposited on silicon substrates is numerically investigated using finite-element simulations. Two-dimensional frequency-domain analyses were performed to evaluate the influence of one-, two- and three-pillar defects on elastic wave transmission characteristics. The results reveal strong defect-width-dependent transmission modulation together with the localized resonant elastic-wave redistribution within the periodic
lattice. Full three-dimensional simulations further confirm the presence of defect-sensitive resonant localization and modified elastic-wave transport pathways. Floquet dispersion analysis of a periodic unit
cell reveals multiple nearly flat resonant branches associated with low-group-velocity elastic-wave modes, indicating predominantly subwavelength locally resonant behavior. A comparative study between tungsten and copper resonators demonstrates enhanced resonant confinement in tung-sten-based structures due to their larger inertial contrast with the supporting sub-strate. The proposed defect-engineered micro-pillar
lattices provide an effective approach for frequency-selective elastic-wave control and localized resonant wave ma-nipulation in elastic metamaterial systems.
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Strongly Correlated Electrons
Magnetovolume effect in SrRu1-xCoxO3 (x = 0.0, 0.05)
M. Manikandan and R. Mahendiran
Polycrystalline SrRu1-xCoxO3 (x = 0.0, 0.05) and CaRuO3 were rapidly synthesized (< 1 hour) by microwave irradiation of
oxide powders, and their
magnetic, magnetoresistance, thermal expansion, and magnetostriction properties were investigated. The microwave-synthesised SrRuO3 exhibits a
ferromagnetic transition at TC = 160 K, metallic-type resistivity, and negative magnetoresistance, with magnitudes comparable to those of a sample synthesized by conventional heating over 24 hours. Upon lowering the temperature from 300 K, the linear thermal expansion shows a transition from the usual contraction in the paramagnetic state to spontaneous expansion in the
ferromagnetic state (invar-like effect). The application of an external
magnetic field at a fixed temperature results in isotropic expansion of the length, implying a positive magnetovolume effect. The volume magnetostriction is 40 ppm at 10 K in a
magnetic field of 50 kOe, and it reaches a maximum value of 60 ppm close to TC. The spontaneous thermal expansion is diminished in SrRu0.95Co0.05O3. While the magnetostriction is anisotropic at 10 K, the isotropic behaviour is recovered above 80 K, and the maximum value of the positive magnetovolume is comparable to that of the parent compound. Our results suggest that the magnetovolume effect in SrRu1-xCoxO3 is related to competition between robust tilting/rotation of RuO6 octahedra and
spin-orbit interaction of the doped Co2+ ions
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Strongly Correlated Electrons
Van Hove Singularity and Phase Instability: Exploring the Role of Electron Correlation in the Magnetic Behavior of $\mathrm{Fe}_{16}\mathrm{N}_2$
Peter Stoeckl, Przemyslaw Wojciech Swatek and Jian-Ping Wang
The ordered iron nitride phase $\alpha''-\mathrm{Fe}_{16}\mathrm{N}_2$ is a promising candidate for environment-friendly, rare-earth-free permanent magnets due to its demonstrated
giant saturation magnetization ($M_s$). However, first-principles electronic-structure calculations have struggled to consistently reproduce experimentally-observed high $M_s$, and have yielded highly variable magneto-crystalline anisotropy (MCA) values. In this work, we employ Density Functional Theory under the GGA+$U$ framework to study the effect of the Hubbard parameters $U$ and $J$ on the
magnetic properties of $\mathrm{Fe}_{16}\mathrm{N}_2$. We demonstrate that the electronic structure exhibits high sensitivity to these parameters, specifically uncovering a van Hove singularity near the
Fermi level ($E_F$), inherently tied to the material's structural and thermal phase instability. By linking this topological anomaly to the calculated
magnetic properties, we demonstrate that the selection of $U$ not only tunes $M_s$ and MCA energy towards experimental values but also reveals an underlying electronic mechanism potentially responsible for the phase's metastability. This provides a framework for understanding the correlation-driven
magnetic behavior of $\mathrm{Fe}_{16}\mathrm{N}_2$ and offers a pathway for optimizing its stability and performance in practical applications.
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Soft Condensed Matter
Quasi-two-dimensional dispersions of Brownian particles with competitive interactions: Dynamical clustering, non-Gaussianity and hydrodynamic correlations
Zihan Tan, Vania Calandrini, Jan K. G. Dhont et al. (+1 more)
We conduct a comprehensive dynamical analysis of quasi-two-dimensional (Q2D) dispersions of Brownian particles with competing short-range attractive (SA) and long-range repulsive (LR) interactions using Langevin dynamics (LD) and multiparticle collision dynamics (MPC). As the attractive interaction is strengthened, self-
diffusion is significantly suppressed, and clustering gives rise to pronounced subdiffusive behavior. We find that cluster lifetimes are influenced more strongly by attraction strength than by particle concentration. Two dynamical criteria for the transition from non-clustered to clustered phases are identified in terms of the mean cluster lifetime and the relaxation time of local hexagonal order, respectively. Moreover, clustered Q2D-SALR systems exhibit pronounced non-Gaussian dynamics. In particular, the self-van Hove function in the
equilibrium-cluster phase displays an approximately exponential form, consistent with an underlying diffusing-diffusivity mechanism. Importantly, MPC simulations reveal the critical role of hydrodynamic interactions (HIs) in collective dynamics. We observe that the anomalously enhanced large-scale collective
diffusion characteristic of hydrodynamically interacting Q2D systems is qualitatively preserved in Q2D-SALR dispersions. However, this enhancement suppresses the intermediate-range-order peak in the hydrodynamic function compared to its three-dimensional counterpart. Furthermore, by analyzing the time-dependent
evolution of hydrodynamic function and the sound mode in hydrodynamic correlations, we find that clustering in Q2D-SALR systems leads to an earlier onset of HIs than in Q2D hard-sphere reference systems, implying HIs become relevant already on inertial timescales.
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All authors Zihan Tan, Vania Calandrini, Jan K. G. Dhont, Gerhard Nägele
Materials Science
Delafossites as an unexpected competing phase to infinite-layer oxides
Armin Sahinovic, Benjamin Geisler and Rossitza Pentcheva
Motivated by the discovery of superconductivity in Sr-doped infinite-layer nickelate films on SrTiO$_3$(001), we explore the broader landscape of $AB$O$_2$
oxides through comprehensive high-throughput first-principles simulations. Specifically, delafossites and their ordered rock-salt (111) variants stand out as intriguing layered
oxides that share the infinite-layer $AB$O$_2$ stoichiometry and simultaneously retain a perovskite-like octahedral motif. This positions them as a unique structural bridge between these two phases and as promising candidates for novel correlated electronic states. We compile a phase diagram that compares the relative stability of these four distinct
oxides across the periodic table. Surprisingly, we find that the delafossite structure rivals the infinite-layer phase in thermodynamic stability for the nickelates, and even more for the recently suggested palladate and platinate analogs. Comparison of the respective electronic structures reveals that the delafossite compounds, which we find to be characterized by reversed cation order, exhibit a strongly $d_{z^2}$-dominated
Fermi surface, in stark contrast to the $d_{x^2-y^2}$ character observed in the infinite-layer phases. Among all candidates, the La-Ni combination stands out as a thermodynamic optimum for stabilizing the infinite-layer motif. Furthermore, we show that hole doping via Ca, Sr, and Ba systematically enhances the stability of the infinite-layer phase in all three transition-metal families. These results reveal fundamental challenges in realizing bulk substrate-free infinite-layer
oxides, and simultaneously offer guidance for future experimental synthesis efforts targeting novel superconducting compounds.
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Mesoscale and Nanoscale Physics
Keldysh field theory of spin- and valley-distinguished polariton nonlinearities in transition-metal dichalcogenide monolayers
Anna M. Grudinina and Nina S. Voronova
Electrons in transition-metal dichalcogenides (TMDs) possess valley and
spin degrees of freedom, which leads to rich
exciton and
exciton-polariton physics with nontrivial scattering dynamics and enhanced nonlinearities, presenting a key mechanism for photonic devices. Yet, existing descriptions of bosonization and polariton interactions in TMD-based systems overlook the valley degree of freedom as well as the various particles'
spins combinations. In this work, we derive a nonequilibrium field-theory approach in the path integral formalism that allows to track all the polariton nonlinearities in the strong coupling regime. We demonstrate that, when all the bright and dark
exciton species are considered, the TMD monolayer-based polariton systems feature sixteen different nonlinear contributions due to interactions and even more saturation-related terms. Strikingly, while the interactions of
excitons within one valley are overall dominant, we show that the contribution to the blueshift from
spin-dark
excitons is much higher than that from bright intravalley
excitons.
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Mesoscale and Nanoscale Physics
Non-equilibrium angular momentum selectivity and filtering in chiral carbon nanotubes
Sergio Shmayev, D. R. da Costa and D. A. Bahamon
Carbon nanotubes (CNTs) constitute a highly tunable platform for probing the interplay between structural chirality and
quantum transport in quasi-one-dimensional systems. Here, we perform a systematic study of the non-
equilibrium orbital response across a broad set of metallic and semiconducting
chiral CNTs. We find that the orbital Edelstein susceptibility depends strongly on both chirality and nanotube diameter, revealing that the orbital response cannot be captured by a universal scaling law. Instead, distinct families of CNTs emerge, forming characteristic orbital-response branches uniquely determined by the
chiral wrapping vector. We further investigate the role of metallic contacts on orbital-current generation and orbital selectivity. While metallic CNTs rapidly recover their intrinsic orbital response away from the contact region, semiconducting CNTs display pronounced oscillatory behavior arising from interference between transport channels carrying different angular momenta injected by wide-band metallic contacts. Finally, by incorporating angular correlations into the contact self-energy, we demonstrate that
chiral CNTs can operate as efficient orbital-angular-momentum filters, selectively transmitting orbitally textured electronic states in accordance with the
crystal angular momentum of the propagating bands.
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Materials Science
Fine-Tuned Machine-Learned Interatomic Potentials for Structural and Vibrational Properties of Twisted 2D Materials
Viet-Anh Tran, Viet-Hung Nguyen, Wei Chen et al. (+2 more)
Twisted van der Waals
bilayers form moiré superlattices whose structural and vibrational properties are highly sensitive to variations in local stacking registry and the degree of atomic reconstruction, yet accurate atomistic modeling of these systems at the DFT level remains computationally prohibitive at small twist angles. We investigate machine-learned interatomic potentials for moiré systems, using twisted
bilayer graphene, h-BN, and MoS$_2$ as representative materials spanning a broad spectrum of mechanical compliance and atomic reconstruction behavior. We show that fine-tuning universal atomistic foundation models is essential to achieve DFT accuracy for layered materials, as broadly trained foundation models prove insufficient for resolving the subtle interlayer energetics that govern atomic reconstruction. Through local strain tensor analysis and the
phonon band unfolding technique, our fine-tuned MACE model reveals a consistent reconstruction-induced strain landscape in all three materials, with extended low-energy stacking domains separated by narrow
soliton lines where deformation concentrates. The system progressively optimizes the local stacking registry within each domain, giving rise to a spatially structured deformation field whose amplitude scales with the mechanical compliance of the material and can be further tuned by external perturbation. The obtained results of both atomic reconstructed structures and moiré
phonon spectra present a good agreement with the reported experiments, thereby demonstrating the accuracy and efficiency of our methodology in modeling of these large scale nanomaterials.
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All authors Viet-Anh Tran, Viet-Hung Nguyen, Wei Chen, Gian-Marco Rignanese, Jean-Christophe Charlier
Materials Science
Open-quantum-system theory of non-Markovian electron-phonon dynamics
Gabriele Riva, Jacopo Simoni and Yuan Ping
We present a non-Markovian open-
quantum-system formalism for nonequilibrium electron-
phonon dynamics: a closed set of five coupled equations of motion, derived directly from the density
matrix, in which
memory, dissipative broadening, and coherent-
phonon dynamics arise on an equal footing without two-time correlators. It recovers the Fan-Migdal, RPA-polarization, and Ehrenfest self-energies and the Lindblad and Boltzmann limits. In the strongly driven Holstein dimer it separates the coherent polaronic peak, of Ehrenfest origin, from the linewidths and multiphonon structure of Fan-Migdal origin.
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Materials Science · Cross-listed from astro-ph.HE
Crust glass formation reveals the neutron star birth properties in IGR J17480-2446
D. A. Baiko and A. I. Chugunov
IGR J17480-2446 is a low-mass X-ray binary, harboring an exceptional accreting
pulsar (a
neutron star) with an unusual
spin frequency of 11 Hz and a very slow post-outburst crust cooling. The former may imply that it is observed at an early stage of recycling, while the latter was shown to indicate the presence in the outer crust of a low thermal conductivity layer, possibly made of glass. Here we argue that the glass layer formation is a natural result of
accretion induced failure of pristine cold
crystal crust. This allows us to determine the mass of the accreted material as $\Delta M \approx 2.4\times 10^{-6}~M_\odot$, confirming very early
accretion stage for this
neutron star. An analysis of
spin and thermal state reveals a peculiar set of
neutron star birth properties which is commonly associated with `recycled'
neutron stars, i.e.\ those that have been experiencing prolonged periods of
accretion from a companion. We speculate that such birth properties may represent the outcome of
neutron star formation in an electron-capture
supernova.
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Materials Science
A correlation of structural changes with nanomechanical properties in TiN-AlN multilayer films
Nidhin George Mathews, Aidan A. Taylor, Johannes Zechner et al. (+5 more)
The present work investigates the changes in overall nanomechanical properties of reactively sputtered TiN-AlN multilayer films arising due to phase transformation in the AlN layers. Multilayered TiN-AlN films were sputter deposited with constant TiN layer thickness of 5 nm while the AlN layer thickness varied between 1-5 nm. The AlN underwent a phase transition from cubic rock salt to hexagonal wurtzite above 3 nm thickness due to the
lattice strains. The hardness and indentation modulus of the multilayers decreased with increasing AlN film thickness, up to 3 nm, due to increased volume fraction of softer AlN layer and then stabilized for 4 nm and 5 nm thickness films. Micropillar compression of these multilayers showed a transition from columnar brittle to partially ductile failure associated with crack deflection with increasing AlN film thickness. Interestingly, nanoindentation scratch resistance of 3 nm AlN multilayer was observed to be superior compared to all other films. The crack propagation behavior in scratching showed increased microcracking tendency towards higher AlN film thickness. This shows that cubic to hexagonal transformation in AlN is beneficial for improving the damage tolerance of the multilayer system.
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All authors Nidhin George Mathews, Aidan A. Taylor, Johannes Zechner, Helmut Riedl, Paul H. Mayrhofer, Johann Michler, Vipin Chawla, Gaurav Mohanty
Statistical Mechanics
Giant Fluctuations in Self-Propelled Particles with Age-Dependent Switching
Shabnam Sohrabi and Farhad H. Jafarpour
We investigate the transport and fluctuation properties of self-propelled particles whose motion is governed by an age-dependent phase-switching mechanism. The dynamics alternate between a Markovian downstream phase with a constant switching probability $r$ and a semi-Markovian upstream phase in which the age-dependent hazard probability $a/(b+c)$ decays with the internal clock $c$, representing persistent orientation. The time-averaged velocity, as an order parameter, shows a continuous transition at $a=1$ which separates an upstream-dominated ballistic regime ($a<1$) from an ergodic diffusive regime ($a>1$). Through generating-function methods and discrete-time moment recurrences, we derive exact expressions for the propagator and determine the long-time asymptotics of the mean displacement and variance. At the critical point $a=1$, the system exhibits
giant fluctuations, with the variance scaling ballistically up to a logarithmic correction, $\mathrm{Var}(x_T) \propto T^2 / \log T$. These results demonstrate how slowly decaying reorientation probabilities lead to a marginal breakdown of the Central Limit
Theorem, enabling unusually high-variance exploratory dynamics in biased environments.
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Mesoscale and Nanoscale Physics
Deterministic control of the probabilistic phase dynamics in injection-locked spin-torque nano-oscillators
Abderrazak Hakam, Chloé Chopin, Nhat-Tan Phan et al. (+8 more)
Spin-torque nano-oscillators (STNOs) inherently exhibit thermally driven phase fluctuations that render their dynamics truly
stochastic. Here, we demonstrate that, despite this intrinsic randomness, the probability of occupying each phase state can be deterministically and continuously programmed. We experimentally investigate a
vortex-based STNO operating under second-harmonic injection-locking, where the oscillator phase settles into two degenerate attractors separated by $\pi$ and undergoes thermally activated phase jumps. By applying a weak
radio-frequency perturbation at the free-running frequency, we tune the phase-jump rates between the two attractors without suppressing the fluctuations, achieving continuous probability control from the unbiased limit to values approaching 0 or 1. The bias phase selects which attractor is favored while the bias amplitude sets the strength of the imbalance, providing two complementary control knobs within a single nanoscale device. A phase-reduced description based on an effective quasipotential quantitatively accounts for the observations. These results establish injection-locked STNOs as programmable
stochastic elements and provide a hardware primitive for probabilistic computing, Ising machines, and
brain-inspired computing architectures.
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All authors Abderrazak Hakam, Chloé Chopin, Nhat-Tan Phan, Nicolas Mollard, Franck Badets, Louis Hutin, Luana Benetti, Alex S. Jenkins, Ricardo Ferreira, Ursula Ebels, Philippe Talatchian
Materials Science · Cross-listed from physics.class-ph
On Potentials and Complementary Potentials in One-Dimensional Nonlocal Integral Formulations
Marko Čana{\dj}ija and Ante Skoblar
The present research presents potentials and complementary potentials used in the one-dimensional nonlocal integral formulations. The pure stress and the pure strain nonlocal formulations were considered. While the potential used in the strain driven formulation is well known, the complementary potential has not yet been presented in the literature. The same applies to the stress driven formulation. The equivalent formulations are obtained by resorting to the Legendre transformation, and their equivalence is proved. It is also shown that these results can be used to postulate a novel potential, i.e. a kind of mixed stress-strain potential, which is, however, as ill-conditioned as the pure strain-driven formulation. Finally, an example is given that practically confirms that the stress-driven formulations resulting from the potential and the complementary potential are equivalent.
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Materials Science
Cladding Layer Enhanced GHz Bulk Acoustic Wave Resonance in Sodium Niobate Thin Films on Silicon
Zhi Shiuh Lim, Qibin Zeng, Hui Kim Hui et al. (+17 more)
Bulk acoustic wave resonators (BAWR) and bandpass filters operating at GHz frequency are the workhorse of (Vo-)LTE telecommunication and broadband internet. In line with the Singapore Green Plan 2030 for innovating environmentally friendly products, we fabricated lead-free BAWR with sodium niobate (NaNbO3) piezoelectric on silicon with a high electromechanical coupling factor up to 31.3% operating at ~4 GHz. We disclose our crucial strategy where the NaNbO3 layer is cladded between two thin layers of high band gap
insulators, which satisfies two primary objectives, i.e. leakage current mitigation and crack avoidance. In addition, we also verified the efficacy of reducing
lattice parameters of the cladding layers in promoting vertically distorted tetragonal phase NaNbO3 and producing stronger BAWR signals.
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All authors Zhi Shiuh Lim, Qibin Zeng, Hui Kim Hui, Mengyao Xiao, Tiancheng Luo, Weifan Cai, Shengwei Zeng, Samantha Faye Duran Solco, Baichen Lin, Celine Sim, Zhen Ye, Jinlong Xu, Mingxi Chen, Wei Fu, Chee Kiang Ivan Tan, Seeram Ramakrishna, Yeng Ming Lam, Vincent Chengkuo Lee, Ariando Ariando, Huajun Liu
Disordered Systems and Neural Networks · Cross-listed from quant-ph
Machine Learning Optimal Quantum Error Correction Thresholds
Dominik Seip, Luis Colmenarez, Markus Schmitt et al. (+1 more)
As
quantum computers remain susceptible to noise, QEC is essential for preserving logical information during computations. However, the performance of QEC codes breaks down beyond certain noise thresholds, revealing fundamental limits on their ability to protect
quantum information. These limits can be characterized using information-theoretic measures such as the coherent information, which quantifies the maximum rate at which logical information can be reliably transmitted through a noisy
quantum channel. In this work, we establish a direct connection between the CI and the binary cross-
entropy loss used when training neural network decoders. Specifically, we show that the CI constitutes a sharp lower bound on the achievable loss for decoders that track logical operators across noisy channels. To this end, we develop a
transformer-based neural network model based on maximum likelihood decoding. We train this network to estimate the CI and evaluate its performance on the surface code under three noise models: code capacity, phenomenological, and
circuit-level noise. Our results demonstrate that the network accurately predicts CI and yields threshold estimates that closely match known theoretical limits. When used as a decoder, the network significantly outperforms the minimum weight perfect matching decoder in terms of logical error rate. We also introduce a novel soft post-selection scheme that independently treats uncertainty in both logical operators and relies on confidence-based filtering of the network's output. We prove that such post-selection strategies, based on the MLD cosets, are optimal, and demonstrate their scalability in terms of both logical error rate and abort probability. These findings establish
transformer-based architectures as powerful tools for QEC and provide the first numerical evidence supporting the optimality and scalability of MLD-based post-selection.
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All authors Dominik Seip, Luis Colmenarez, Markus Schmitt, Markus Müller
Materials Science
Reversible nonrelativistic magnon spin transport in ferroelastic altermagnets
Haozhou Cai, Jian Wu and Weiyi Pan
Magnons in
antiferromagnetic (AFM)
insulators facilitate low-dissipation, stray-field-free
spin transport. However, achieving nonvolatile, field-free control over
magnon spin currents remains elusive. Here, based on
symmetry analysis, we propose a universal mechanism for the active manipulation of
magnon spin transport via ferroelastic transitions in two-dimensional (2D) altermagnets (AMs)-a class of unconventional AFMs simultaneously exhibiting compensated magnetization and nonrelativistic
spin splitting. We show that these transitions effectively reorient principal
crystal axes and modulate the underlying
magnetic exchange anisotropy. Consequently, this magnetoelastic coupling drives nonrelativistic anisotropic
spin transport that is ferroelastically switchable without the need for external
magnetic fields or Berry
curvature, leading to sign reversals in the
spin Seebeck and
spin Nernst conductivities. We validate this mechanism using first-principles calculations and
spin-model analyses of an AM CoTe2 monolayer. Our findings establish a
symmetry-based magnetoelastic paradigm for the nonvolatile control of
magnon spin transport in 2D AMs, opening new avenues toward energy-efficient, reconfigurable AFM magnonic devices.
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Materials Science
Bridging Phase-Field Model and Deep Learning for Predicting 2D and 3D Microstructure Evolution in Ternary Alloys
Owais Ahmad, Aravind K, Naveen Kumar et al. (+3 more)
We develop a hybrid framework that integrates a phase-field model (PFM) with an
attention-enhanced deep learning (DL) architecture to study ternary spinodal dealloying, a sophisticated self-organization approach used to fabricate three-dimensional bicontinuous, hierarchical nanoporous materials. The study captures three distinct phase-separation mechanisms that emerge during the early stages of spinodal decomposition in both two and three dimensions. The DL workflow consists of three key components: (i) a dimensionality-reducing autoencoder that provides compact representations of high-resolution microstructure images (256x256x3), (ii) an
attention-augmented convolutional long short-term
memory (ConvLSTM) network that learns complex spatiotemporal correlations governing microstructure
evolution, and (iii) a novel slice-by-slice strategy that enables extension of the model to three-dimensional systems (128x128x128x3). We further demonstrate a hybrid simulation strategy in which PFM accurately captures rapid early-stage microstructure
evolution, while the DL model efficiently predicts late-stage coarsening dynamics. The trained DL model achieves remarkable predictive accuracy, maintaining fidelity up to 400 timesteps ahead and generalizing to compositions outside the training distribution. By bridging the physical fidelity of PFM with the computational efficiency of DL, this framework establishes a robust platform for predictive modeling of microstructure
evolution in complex multicomponent systems.
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All authors Owais Ahmad, Aravind K, Naveen Kumar, T.A. Abinandanan, Somnath Bhowmick, Rajdip Mukherjee
Mesoscale and Nanoscale Physics
Superconducting cavity probes sliding ferroelectricity in small-angle twisted WSe$_2$
Krishnendu Maji, Supriya Mandal, Sriram H. et al. (+8 more)
Ferroelectricity is a property of materials that exhibit spontaneous charge polarization. Ferroelectricity in 2D materials is interesting because of their applications in
memory devices and field-effect transistors. Recently, a new type of ferroelectricity, known as sliding ferroelectricity, has been discovered, in which parallel-stacked
bilayers of hexagonal boron nitride (hBN) or transition metal dichalcogenides (TMDCs) develop an out-of-plane electric polarization. In this work, we probe the polarization of small-angle parallel stacked WSe$_2$ by measuring its high-frequency AC response, achieved by
embedding it into a half-wave superconducting coplanar waveguide cavity. We observe a hysteretic response in the capacitance of the stack and quality factor of the cavity, confirming ferroelectric switching in the system. Our results further reveal relaxation effects associated with ferroelectric domain-wall motion. This cavity-based technique has potential applications in probing domain-wall dynamics in a ferroelectric system at high frequencies.
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All authors Krishnendu Maji, Supriya Mandal, Sriram H., Rishiraj Rajkhowa, Malhar Date, Sayani Pal, Meghan P. Patankar, Kenji Watanabe, Takashi Taniguchi, Vibhor Singh, Mandar M. Deshmukh
Strongly Correlated Electrons
Field-tunable quadruple-$Q$ states driven by momentum-space frustration
S. Hayami
Multiple-$Q$ magnetism in itinerant electron systems enables complex
spin crystals and noncoplanar textures even in centrosymmetric settings. We study a minimal momentum-space
spin model on a square
lattice with four
symmetry-related ordering wave vectors, including bilinear and biquadratic interactions under an out-of-plane
magnetic field. Using simulated annealing, we obtain the field-dependent phase diagram and identify successive transitions among single-$Q$, double-$Q$, and multiple inequivalent quadruple-$Q$ states. The quadruple-$Q$
manifold exhibits rich internal structures: the states sharing the same wave vectors differ in phase locking, amplitude distribution, and noncoplanarity, leading to distinct real-space textures and scalar
spin chirality patterns. Our results demonstrate that momentum-space frustration and biquadratic coupling provide an efficient route to stabilizing diverse quadruple-$Q$
spin crystals, offering a general framework for higher-order
spin textures in centrosymmetric itinerant magnets.
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Other Condensed Matter
Thermodynamic stability and structural transitions in virus-host networks
A. Rovenchak and M. Husiev
Understanding virus-host interactions is crucial for predicting the stability of networks under various perturbations. In this study, we present an analysis of virus-related networks for several organisms (Homo sapiens, Mus musculus, Gallus gallus), encompassing directed and weighted connections. We compute a range of network parameters, including topological characteristics and thermodynamic quantities derived from adjacency spectra, to gain insights into the structural robustness and dynamic behavior of the networks. To assess stability, we model two distinct node removal scenarios: targeted elimination of the most influential nodes and random removal. Our findings reveal transition-like behavior in spectral thermodynamic functions and characteristic changes in structural measures, contributing to evaluating the potential of a thermodynamic framework for studying virus-host networks and advancing a deeper understanding of their dynamics.
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Mesoscale and Nanoscale Physics
Effect of weak positional disorder on the miniband structure of spherical quantum dot chains
R. Ya. Leshko
A theoretical framework is developed for the electron miniband structure in one-dimensional chains of spherical
quantum dots subjected to weak positional disorder. Within the tight-binding approximation combined with the effective-medium approach, the
stochastic fluctuations of the inter-dot spacing are mapped onto the renormalization of the key
Hamiltonian parameters: the hopping integral $ B $, the overlap integral $ Q $, and the on-site energy shift $ M $. Analytical expressions for these disorder-renormalized parameters are derived by performing an ensemble average over a narrow Gaussian distribution of positional deviations ($ \sigma \ll a $). The resulting generalized dispersion relation shows that weak positional disorder causes a broadening of the minibands. Specifically, for typical fabrication fluctuations $\sigma = 0.1\,a $, the miniband width increases by 8-12% (depending on the mean inter-dot distance $a$). At the same time, the sensitivity of the miniband width to disorder decreases rapidly with increasing
lattice period due to the exponential decay of the electron wave functions. In the considered weak-disorder regime, the Anderson localization length significantly exceeds the
lattice constant, so the miniband states remain delocalized.
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Other Condensed Matter
Enhanced approach to calculation of cluster integrals for lattice models of matter
M. V. Ushcats and S. Yu. Ushcats
The study is devoted to enhancing the existing techniques of calculating Mayer's expansion cluster integrals for
lattice models of matter. Two important optimizations are proposed: simplifying the calculation of the integrand at each integration point and reducing the number of such integration points due to eliminating physically identical configurations. Based on those optimizations, new data on high-order cluster integrals are obtained for a number of 2D and 3D
lattice models.
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Materials Science
First-principles study of the impact of As doping on the structural and electronic properties of MoS$_2$ monolayer
A. Daouadi and M. L. Benkhedir
This study is aimed at exploring the structural and electronic properties of doped MoS$_2$ monolayers, including Mo and S vacancies and As doped systems, employing DFT calculations. The electronic properties were analyzed to understand how these modifications affect the behavior of the material. Introduction of defects generates new defect states in the midgap. In the S-vacancy (V$_\text{S}$), Mo-vacancy (V$_{\text{Mo}}$), As-Mo (As substituting Mo), and As-S (As substituting S) doped systems, the downward shift of the
Fermi level to the valence band indicates a $p$-type behavior. In the As interstitial system the
Fermi level shifts to the conduction band, suggesting an $n$-type
semiconductor. The results highlight that doping MoS$_2$ with As, particularly at the Mo site, can be used in photocatalysis and high-efficiency photovoltaics. Additionally, the As interstitial system demonstrates an enhanced performance in field-effect transistors (FETs).
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Materials Science · Cross-listed from math-ph
Electromagnetic Characterization of Magnetic Bar: Case of Square Cross-Section Shape
Taha El Hajji, Bruno Ricardo Marques and Lars Sjöberg
This paper presents a complete two-dimensional theoretical model for the electromagnetic behavior of square-section solid
magnetic bars under sinusoidal loading. Through the application of Maxwell's equations within a Cartesian coordinate system and the integration of complex permeability, exact mathematical expressions are derived for mutual impedance, internal
magnetic fields, flux, and core losses.
Hyperbolic functions are utilized to separate the variables, enabling the accurate representation of edge flux accumulation and the 2D skin effect. In addition to mathematically decoupling eddy current and hysteresis losses, this formulation yields a new apparent permeability parameter. This parameter establishes a fast, reliable method for
magnetic steel characterization that bypasses the extensive processing times associated with Finite Element Analysis (FEA). Numerical results over 1 Hz-1 MHz show the apparent relative permeability decreasing from 500 to 300 and a characteristic resistance peak near 700 kHz, marking the transition from volumetric to surface-dominated loss regimes.
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