Soft Condensed Matter
Improved Density Functionals for Predicting Block Copolymer Domain Structure and Phase Behavior
Yi-Xin Liu
Phase-field models offer an efficient alternative to self-consistent field theory (SCFT), but quantitative predictions of block-copolymer phase behavior remain challenging. We develop a quadratic-connectivity entropic (QCE) density functional and its adaptive extension (AQCE). QCE combines quadratic nonlocal connectivity with a nonlinear binary relative-
entropy term, while AQCE adds bounded interfacial stiffness that preserves the homogeneous response. In lamellar
benchmarks, QCE gives the lowest mean profile error among the tested models and AQCE the lowest mean period error. Compared with the optimized phase-field (OPF) model fitted to SCFT force and stress data, AQCE reduces strong-segregation period and profile errors by more than fivefold and sixfold, respectively. AQCE further reproduces the
topology of the SCFT phase diagram for AB diblocks, a more demanding test of free-energy rankings among competing morphologies. Because architecture enters through ideal-chain correlations, the same nonlinear construction extends to other A/B architectures. We demonstrate this transfer for symmetric linear ABA lamellae, accurately predicting their profiles, periods, and ordering threshold.
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Materials Science
Determination of Burgers-vector directions of threading edge dislocations in GaN by phase-contrast microscopy
Yukari Ishikawa, Maki Shimizu, Koji Sato et al. (+4 more)
Phase-contrast microscopy enables rapid, nondestructive observation of threading dislocations in GaN, but the relationship between dislocation contrast and the Burgers vector has not been established. Here, we demonstrate that the in-plane Burgers-vector direction of threading edge dislocations in GaN can be determined from the arrangement of bright and dark contrast in phase-contrast microscopy images. The relationship was first established for threading edge dislocations in ammonothermal GaN whose Burgers vectors were independently determined by X-ray topography and was subsequently applied to hydride vapor phase epitaxy-grown GaN. The Burgers vector predicted from the phase contrast was verified by weak-beam dark-field TEM and large-angle convergent-beam electron diffraction. For the threading edge dislocations examined, the direction obtained by rotating the direction from the minimum of the dark contrast to the maximum of the bright contrast by 90{\deg} counterclockwise coincided with the Burgers-vector direction. Analysis based on the photoelastic effect further suggests that the phase contrast primarily reflects the sum of the two in-plane normal strain components, {\epsilon}xx + {\epsilon}yy, around the dislocation. These results demonstrate that phase-contrast microscopy can be used as a nondestructive optical method for determining the in-plane Burgers-vector direction of threading edge dislocations in GaN.
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All authors Yukari Ishikawa, Maki Shimizu, Koji Sato, Kisara Matsumoto, Kazuki Ohnishi, Yongzhao Yao, Ryo Hattori
Mesoscale and Nanoscale Physics
Ferroaxial Electronic Response to Local Lattice Rotation
Ken Uchino, Yuuki Ogawa and Satoru Hayami
We theoretically investigate electronic responses to
lattice deformation in a ferroaxial system using a tight-binding model on a two-dimensional square
lattice and linear response theory. While conventional elastic responses are commonly discussed in terms of symmetric strain, the displacement gradient also contains an antisymmetric component describing a local
lattice rotation. Focusing on this rotational degree of freedom, we treat the symmetric strain and antisymmetric local rotation as independent perturbations and incorporate their effects microscopically through deformation-induced modulations of the electronic hopping amplitudes. We find that the local rotation induces characteristic diagonal electric quadrupoles that are distinct from those generated by the symmetric shear strain. The rotation-induced response is dominated by the intraband contribution and increases approximately linearly with the ferroaxial
crystal field, vanishing in the absence of ferroaxial order. In contrast, the symmetric-shear-induced response remains finite without ferroaxial order and contains both intraband and interband contributions. These results demonstrate that the antisymmetric local rotation provides a distinct electronic response channel characteristic of the ferroaxial state.
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Quantum Gases · Cross-listed from hep-th
Spontaneous Hawking Radiation from Dynamical Black-Hole Formation in Quantum Spin Systems
Shunichiro Kinoshita, Keiju Murata, Daisuke Yamamoto et al. (+1 more)
We show that Hawking radiation spontaneously generated by dynamical black-hole formation can be realized in a local
quantum spin model. Starting from the ground state corresponding to the early-time
vacuum, with no initially prepared excitations, we follow the dynamics induced by the evolving geometry. In the corresponding continuum
quantum field theory, Hawking particle creation is associated with nontrivial Bogoliubov mixing between the in- and out-mode decompositions. We derive the resulting renormalized local energy density in the continuum
quantum field theory, which corresponds to an energy-weighted integral of the Hawking spectrum, and identify its counterpart as a local
spin observable whose expectation value quantitatively reproduces the continuum prediction, including its dependence on the surface
gravity. The agreement persists over a finite time window whose duration grows logarithmically with system size, revealing the crossover from universal continuum Hawking physics to
lattice-cutoff dynamics. These results establish a microscopic route to
quantum simulation of
quantum field theory in curved spacetime, connecting field-theoretic particle creation directly to experimentally accessible many-body observables.
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All authors Shunichiro Kinoshita, Keiju Murata, Daisuke Yamamoto, Ryosuke Yoshii
Mesoscale and Nanoscale Physics
Theory of Magic Angles in Twisted Bilayer Graphene: from Non-Abelian Gauge Fields to Flat Bands
Leonardo A. Navarro-Labastida and Gerardo G. Naumis
At a discrete set of “magic” twist angles, twisted bilayer
graphene develops two bands at charge neutrality that are almost perfectly flat. We present a unified theory of this phenomenon within the chiral continuum model. The central object is the square of the chiral
Hamiltonian, a $2\times2$ Schrödinger operator for an electron moving in a non-Abelian $SU(2)$ pseudo-
magnetic field generated by the interlayer tunneling. From it we derive an energy sum rule in which the interlayer coupling splits into a bounded overlap channel and an unbounded current channel; their different scaling with the coupling $\alpha$ explains why the first magic angle is qualitatively different from the rest. The asymptotic rule $\alpha_{m+1}-\alpha_m\to3/2$ follows from a rescaling of the moiré potential together with its three-
cell magnetic periodicity, with the two parity families of zero modes each repeating with period $3$ and interleaved with each other. Near the AA point the zero-mode problem becomes a lowest-Landau-level problem in an effective field $B_{\rm eff}=3\alpha$, so that the high-order zero modes are coherent Landau states of width $1/\sqrt{3\alpha}$ whose guiding centres converge to $\pm(\pi/3) q_\mu$, with kinetic and confinement energies in equipartition. Deforming the coupling into an Abelian one removes the magic-angle sequence, which shows that the non-Abelian structure is essential. Between consecutive magic angles, band inversions at $\Gamma$ and $M$ produce phases with Chern numbers $C=\pm2$, and the
quantum metric reaches a sharp maximum at $\theta\approx0.43^\circ$, identifying a promising regime for correlated and topological phases beyond the first magic angle.
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Statistical Mechanics · Cross-listed from math.PR
Shape theorem for excited random walks on the integer lattice
Tuan-Minh Nguyen
We study the limit shape of the range of the random walk excited to the center on $\mathbb Z^d$, with $d\geq2$. A cookie is placed at each nonzero vertex. On its first visit to such a vertex, the walker consumes the cookie and takes its next nearest-neighbor step with a bias toward the origin. On a visit to the origin, or on later visits to a nonzero vertex, no cookie is available and the walker moves to a neighbor uniformly at random. We prove that the set of vertices visited up to time $n$, rescaled by $n^{-1/(d+1)}$, converges in probability in Hausdorff distance to an explicit $\ell^1$ ball. This answers a question raised by Kozma (2007).
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Mesoscale and Nanoscale Physics
Bichargon Hall Effect
Ping Tang
The conventional Hall effect arises from the transverse deflection of mobile electronic charge carriers in conductors. Here, we predict a bosonic charge Hall effect in charge-ordered
insulators mediated by bichargons, collective bosonic excitations of charge order carrying quantized electric charges $\pm 2e$. In contrast to conventional electronic carriers, a thermally excited bichargon gas does not support dc electrical conduction in response to an external electric field despite its constituents carrying finite electric charges. We show that a temperature gradient can instead drive a diffusive flow of thermal bichargons, while an out-of-plane
magnetic field deflects the oppositely charged bichargons in opposite transverse directions via the Lorentz force, leading to a finite Hall charge current and opposite charge accumulations at the sample edges. Our results broaden the paradigm of charge Hall transport beyond conventional electronic conductors, establishing that a charge Hall response can emerge in an electrically insulating system through charged bosonic quasiparticles.
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Statistical Mechanics · Cross-listed from math-ph
Spontaneous symmetry breaking at any temperature in a local one-dimensional model
Andrew Lucas
We present a one-dimensional classical statistical physics model on an infinite
lattice with nearest-neighbor interactions and local state space $\mathbb{Z}^2$, with a “helical"
symmetry group $\mathbb{Z}^2\rtimes \mathbb{Z}$ mixing flavor
symmetry with spatial translation. For any $0<\beta<\infty$, we construct an uncountable infinity of DLR (Gibbs) states parameterized by $\mathbb{R}^2$, with a free $\mathbb{Z}^2$ flavor
symmetry group action; as such, we interpret the model as exhibiting spontaneous
symmetry breaking at any temperature. The most general DLR state we construct is interpreted as an infinite sequence of localized domain walls separating a pair of asymptotic “
symmetry sectors". Although any normalizable Gibbs state necessarily breaks a countably infinite freely-acting
symmetry group, a natural regularization of the problem to (arbitrarily) large but finite systems with periodic boundary conditions has measure concentration in disjoint and far-separated
symmetry-related clusters in the (now unique) Gibbs state, which justifies our interpretation of spontaneous
symmetry breaking on the infinite line. A modification of the model with local state space $\mathbb{R}^2$ must break a continuous helical
symmetry at any temperature. This is not a contradiction with the Mermin-Wagner
Theorem, because this continuous helical
symmetry is non-compact and does not commute with translation.
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Mesoscale and Nanoscale Physics
Sparse qubit operation in a 6$\times$6 quantum dot array
Alexader S. Ivlev, Harold L. Co, Damien R. Crielaard et al. (+4 more)
Fault-tolerant
quantum computation requires increasing the
qubit count while maintaining high performance and connectivity.
Semiconductor qubits have demonstrated high-fidelity operation, but growing the system size at sufficient connectivity remains challenging, such that scaling mainly occurred in one spatial direction to preserve access for control lines in the other. Here, we realise an approach that relaxes the requirements on fabrication and demonstrate a 6$\times$6
quantum dot array, defined by a shared barrier gate and individual plunger gates. The
quantum dots are tuned through coherent
spin shuttling over distances up to 5.2um into a sparse configuration of 10 simultaneously operated
qubits, leaving space for shuttling connections. We reduce crosstalk by 42$\times$ in this separated regime, enabling high-fidelity simultaneous single-
qubit control, while control-Z operations can be implemented through shuttling and plunger-only control. These results promise high-connectivity
quantum circuits, enabled by scaling to two-dimensional geometries and exploiting shuttling.
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All authors Alexader S. Ivlev, Harold L. Co, Damien R. Crielaard, Alice Petrillo, Setareh Kazemzadeh, Giordano Scappucci, Menno Veldhorst
Superconductivity
Luttinger Liquid Behavior in a Single-Layer Nickelate La1.4Sr0.6NiO4
Yinqi Hu, Yidian Li, Xian Du et al. (+19 more)
The discovery of high-temperature superconductivity in bilayer and trilayer nickelates has spurred intense interest in the Ruddlesden-Popper nickelates; yet the fundamental properties of the NiO2 layer remain obscured by interlayer coupling. It is therefore imperative to investigate the electronic properties of their single-layer counterpart to isolate the intrinsic physics of the NiO layer. In this work, we present a systematic study of the single-layer nickelate La1.4Sr0.6NiO4 using high-resolution angle-resolved photoemission spectroscopy (ARPES) and theoretical calculations. We reveal strong electron correlation effects, manifested by high-energy kinks in band dispersions and a pronounced orbital-dependent band renormalization. Interestingly, we observe a quasi-one-dimensional electronic structure characterized by straight Fermi surface sheets along the diagonal momentum directions. Such square Fermi surface
topology facilitates non-Fermi
liquid behavior consistent with the Luttinger
liquid model, as evidenced by the power-law spectral function, robust temperature scaling, and the observation of
spin-charge separation. Our results therefore not only unveil an exotic Luttinger
liquid behavior emerging from the unexpected dimensional reduction in an intrinsically quasi-two-dimensional nickelate but also provide a new perspective for understanding the intriguing physics in multilayer nickelates.
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All authors Yinqi Hu, Yidian Li, Xian Du, Wenxuan Zhao, Kaiyi Zhai, Senyao Zhang, Jiawei Shao, Mingxin Mao, Houke Chen, Jieyi Liu, Donghui Lu, Makoto Hashimoto, Fangyuan Zhu, Zhengtai Liu, Dawei Shen, Yaobo Huang, Zhongkai Liu, D. Prabhakaran, Yanpeng Qi, Yilin Wang, Yulin Chen, Lexian Yang
Disordered Systems and Neural Networks
Asymptotic Analysis of Empirical Risk Minimization on Entry-wise i.i.d. Heavy-Tailed Data
Kaito Takanami, Takashi Takahashi and Yoshiyuki Kabashima
Many real-world
datasets exhibit unusually large values far more frequently than predicted by Gaussian models. Heavy-tailed distributions capture this behavior, yet evaluating learning performance under them remains challenging because rare, large feature entries retain non-vanishing effects even in high dimensions. Even in the canonical setting of empirical risk minimization for linear regression with entry-wise i.i.d. symmetric $\alpha$-stable data, a precise asymptotic characterization of prediction has been lacking. In this work, we introduce a functional order parameter that describes the random effective problem associated with each coefficient. Using the replica method, we fully characterize the generalization error in the proportional high-dimensional limit where the sample size and feature dimension diverge at a fixed ratio. Additionally, this analysis establishes a heavy-tail universality law, scaling laws relating typical errors to prediction reliability, and the Bayes-optimal prediction error. In addition to characterizing the effects of extreme entries on the learning process, our method applies broadly to other systems with persistent local heterogeneity.
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Materials Science · Cross-listed from physics.comp-ph
Characteristics of extinction behavior of ammonia partial cracking simulated fuels in counterflow premixed flames under lean condition
Jinseong Kim, Hyunchang Lee, Keeman Lee et al. (+1 more)
In this study, the lean extinction behaviors of CH4 and a 16% cracked ammonia surrogate fuel, CR16, in counterflow premixed flames were compared. Experiments were conducted along with one-dimensional simulations using OPPDIF; the GRI-Mech 3.0 and UCSD mechanisms were applied to CH4 and CR16, respectively. CR16 exhibited higher extinction strain rates and resilience to strain-induced blow-out (RSIB) than those of CH4 under lean conditions. At Phi = 0.66, although both flames had the same extinction strain rate, CR16 showed a higher RSIB because of its longer flame time. Near its extinction, CR16 sustained H2 consumption, radical reactions, and heat release through the interflame region toward the stagnation plane. Hydrogen oxidation coupled with nitrogen-related pathways, including NH2 + NO and HNO reactions, supported this behavior. These results clarify the chemical basis for the superior extinction resistance of economically favorable low-cracking-ratio ammonia fuel.
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All authors Jinseong Kim, Hyunchang Lee, Keeman Lee, Assaad R. Masri
Materials Science · Cross-listed from physics.optics
Crossover of magnetodipole and electrodipole contributions in the broadband magneto-optics of bismuth-substituted iron garnets
Nika Gribova
This work presents a comprehensive macroscopic electrodynamic framework isolating the magnetodipole (MD) and electrodipole (ED) contributions to the magneto-optical effects in bismuth-substituted iron garnet. By rigorously incorporating the dispersive
magnetic permeability tensor, the dominance of the MD mechanism in the terahertz (THz) gap is demonstrated. In the mid-infrared (MIR) to near-infrared (NIR) domain, a fundamental spectral crossover is revealed where the magnitudes of the MD and ED contributions exactly equalize, invalidating the widespread assumption that
magnetic contributions vanish uniformly at infrared frequencies. Furthermore, it is shown that interfacial phase shifts uniquely dictate how these competing mechanisms project onto observable rotation and ellipticity, yielding an inverted spectral hierarchy between transmission (Faraday) and reflection (polar and longitudinal Kerr) geometries. Most notably, the transverse Kerr effect for s-polarized light is established to be exclusively driven by the off-diagonal
magnetic permeability. While strictly zero under the conventional ED approximation, the s-polarized transverse Kerr effect emerges as a robust, free of the gyroelectric contribution probe of MD activity in the THz and MIR–NIR regimes, yielding a THz response two orders of magnitude larger than its p-polarized counterpart.
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Statistical Mechanics
Phase diagram and transition properties of the Blume-Capel model: A Monte Carlo study
Tenglong Li, Zhigang Feng and Jie Zhang
The Jx-Jy Blume-Capel model, with and without an external
magnetic field, is investigated using the Monte Carlo method. Our aim is to verify the location of the tricritical point, examine the existence of reentrant behavior, and study the magnetocaloric properties of this specifically designed system. In the non-field case, the critical temperature given by the Monte Carlo simulations is lower compared to the conventional antiferromagnetic square
lattice. When an external
magnetic field is applied, we observed signs of a one-dimensional spontaneous
symmetry-breaking phase in the mixed-states regime, which is counterintuitive with secondary specific-heat peak. We take the snapshot of this state and elucidated the underlying mechanisms using mean field theory in the field of
spin-1 spinor Bose-Einstein condensate . Regarding reentrant behavior, we confirmed its occurrence as the
magnetic field varies, but only when the temperature is kept constant. Temperature-dependent reentrant behavior could not be identified within this system. Finally, we examined the magnetocaloric properties and found no evidence of first-order phase transitions within the region of the considered phase-transition point. Although both inverse and direct magnetocaloric effects are present and related to the mixed state, we identified that the relevant phase transitions are all of the second order.
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Materials Science
Reliability of AI/ML Computational Searches for Magnetic Materials: Databases, Validation, and Synthesizability
Vladimir Antropov, Subhadip Pradhan and Kirill D. Belashchenko
The rapid growth of AI/ML methods for materials discovery has increased the importance of the quality, physical completeness, and information content of computational databases. We examine these issues for
magnetic materials, where incomplete sampling of competing
magnetic states, chemical disorder, and finite-temperature properties can lead to apparently accurate but physically unreliable predictions. We propose a hierarchical discovery workflow combining independent ML models with explicit electronic-structure,
magnetic, dynamical, thermodynamic, kinetic, and experimental validation. To incorporate kinetic accessibility into high-throughput screening, we introduce a dimensionless synthesis-window descriptor based on the relation between the chemical order-disorder and Tammann temperatures. A cluster-expansion analysis of Fe-Co-B illustrates the importance of this criterion: although ordered Fe3CoB2 is energetically favored at T=0, its small ordering energy produces an order-disorder temperature far below room temperature, making long-range Fe/Co ordering kinetically unachievable. These results demonstrate that reliable AI/ML discovery of
magnetic materials requires databases and validation procedures that contain physical information relevant to the target functionality, rather than simply larger numbers of calculated structures.
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Materials Science · Cross-listed from physics.space-ph
Data-driven prediction of atomic-oxygen erosion yield in polymers from bulk physical properties
Youngwoo Choi, Doeun Koo, Seungbum Hong et al. (+1 more)
Atomic oxygen (AO) erodes
polymer surfaces in low Earth orbit, but durability data are limited. We evaluated a regression ensemble trained on 37 MISSE-2
polymers using eight selected bulk properties and five elemental-composition ratios. Its archived leave-one-out R^2(log) was 0.768; this estimate is conditional on feature selection using the complete training table. For nine post-MISSE-2
polymers, the ensemble gave R^2(log) = -0.037 and all predictions were within a factor of two. The training arithmetic-mean baseline also met that tolerance for all nine, highlighting the limited discrimination provided by their narrow target range. Ground-based comparisons included four PLAVIS grades. For an out-of-training mystery
polymer with undisclosed composition, the predicted erosion yield was within a factor of 1.92 of the ground-based measurement. Conflicting PLAVIS measurement records prevent a definitive residue-erosion ordering or ground-validation score. Thermal residue, SEM contrast and surface chemistry provide distinct observational evidence; they do not establish a protective-layer mechanism. The results support further evaluation of orbital-data screening models with reconciled measurement records and prospectively fixed inputs..
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All authors Youngwoo Choi, Doeun Koo, Seungbum Hong, Hyun Jung Kim