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Physics Condensed Matter

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Saturday 20 June

Soft Condensed Matter

An elastic model of confined hydrogel particles with competing entropic and energetic networks

This work presents an elastic model to study the interplay between entropic and energetic networks in confined hydrogel particles. We consider a quasi-two-dimensional system composed of spherical hydrogel beads confined in a circular container, where particle growth occurs through hydration. Based on experimental observations, an elastic potential is introduced to model interactions between particles and between particles and the confining wall. Computational simulations based on energy minimization identify the lowest-energy configurations adopted during growth. Analysis of the resulting energy landscapes reveals emergent self-organization, adaptability, and cooperativity arising from the competition between entropic and energetic networks.
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Materials Science · Cross-listed from cs.CV

Accurate identification and measurement of the precipitate area by two-stage deep neural networks in novel chromium-based alloys

The performance of advanced materials for extreme environments is underpinned by their microstructure, including the size and distribution of reinforcing phases. Chromium-based superalloys are a recently proposed alternative to conventional face-centred-cubic superalloys for high-temperature applications, such as Concentrated Solar Power, and their development requires efficient measurement of precipitate volume fraction and size distribution from electron microscopy images. Traditional fixed-threshold image processing is sensitive to background noise, generalises poorly across materials, and requires substantial manual measurement effort. To address these bottlenecks, this study proposes DT-SegNet, an end-to-end two-stage deep learning scheme based on YOLOv5 and SegFormer for object detection and segmentation in electron microscopy images. The approach combines the training efficiency of convolutional neural networks at the detection stage with the segmentation accuracy of a Vision Transformer. Numerical experiments show that DT-SegNet substantially outperforms state-of-the-art segmentation tools offered by Weka and ilastik across metrics including accuracy, precision, recall, and F1-score. The model provides a useful tool for alloy-development microstructure examinations and helps address the large datasets associated with high-throughput alloy development.
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All authors Zeyu Xia, Kan Ma, Sibo Cheng, Thomas Blackburn, Ziling Peng, Kewei Zhu, Weihang Zhang, Dunhui Xiao, Alexander J Knowles, Rossella Arcucci

Soft Condensed Matter

On the statistical theory of strong electrolytes and high-temperature plasmas: new applications of the work of Yukhnovskii and Kelbg

Remembering here the work of two pioneers of the statistical physics of Coulomb systems, Günter Kelbg, and Ihor Yukhnovskii, we analyze their methods and give some new applications to ionic solutions and quantum plasmas. In particular, we develop applications of the theory to strong electrolytes and to thermal high-temperature plasmas at $T > 0^5$ K using the exponential interaction model. We show the strong structural similarity of these two classes of Coulomb systems, which physics is determined mostly by contributions proportional to $e^4$ and $e^6$. We predict at higher densities a structural transition to oscillating correlations. The thermodynamic functions show a smooth transition from a quadratic root increase to a slower increase like $n_i^{1/4}$ which observes the Onsager bound. Effects of asymmetries in charges and masses are studied with applications to ionic systems with multiple charges and to high-temperature plasmas, in particular, to plasmas with He$^{2+}$-ions.
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Statistical Mechanics

Internal-state criticality in Bayesian-inverse-Bayesian inference

We propose Bayesian-inverse-Bayesian (BIB) inference in repeated games as a minimal generative model linking Bayesian inference, statistical mechanics, and heavy-tailed statistics. As a concrete instantiation we simulate repeated $N$-hand cyclic-dominance rock-paper-scissors, a discrete setting in which Nash-targeting algorithms collapse to uniform random play, so that any non-trivial dynamics must originate internally. Across a multi-axis sweep of design, window, and opponent conditions, the BIB dynamics remain in the same internal critical state, the argmax-persistence distribution staying a heavy-tailed power law with exponent $\alpha\approx 1.43$ at the canonical window. Along the window and alphabet axes the exponent is not constant but drifts toward the universal $3/2$ as the finite-sample residual $(N-1)/(2m)$ vanishes. Bayes-only inference, which lacks the inverse step, shows no analogous universality and no power law. Because the argmax and laminar observables are first-passage reads of one driftless log-posterior walk, what is robust across conditions is the critical, zero-drift state itself, evidenced by the cross-design data collapse rather than by any particular exponent value. The state is also invariant across the hypothesis count $N_h$, with the cutoff time and posterior spread obeying finite-size scaling. Adding an inverse-Bayesian relaxation step (hypothesis renewal) to ordinary Bayesian inference is by itself enough to render the dynamics critical, with no external parameter adjustment. Rather than self-organizing toward an absorbing state, BIB reaches criticality by continually reconstructing the hypothesis-space boundary, a mechanism complementary to self-organized criticality that makes the criticality robust across a natural parameter range.
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Materials Science

Halide substitution effects on the photovoltaic properties of Ca$_3$PX$_3$ (X = F, Cl, Br, I) perovskites: advancing solar cell efficiency

Herein, the fundamental physical characteristics like structural, electronic, optical parameters of the Ca$_3$PX$_3$ (X = F, Cl, Br, I) materials have been investigated for their potential optoelectronic applications, particularly for solar cells and related devices. To the crystallographic investigations, Ca$_3$PI$_3$ has the most stable configuration among all investigated materials. From the band structure analyses of these materials indicate that all materials have a direct bandgap in the range of 2.0 eV to 3.788 eV, which makes them ideal for light absorption. For the photovoltaic applications, we have analysed first-principles spectroscopic screening limited maximum efficiency (SLME) which confirms that the Ca$_3$PI$_3$ material exhibits the highest solar cell efficiency 29.6% and Ca$_3$PF$_3$ and shows lower efficiency for solar cell suitability 0.6%. Thus, these results demonstrate the real potential and abilities of halide substitution to tune the materials for particular optoelectronic devices.
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All authors P. Dhariwal, D. Prakash, K. D. Verma, A. Kumari, P. K. Kamlesh, A. S. Verma

Other Condensed Matter · Cross-listed from quant-ph

Transient Information Partition in Coherent Exciton-Phonon-Photon Dynamics

We study transient information partition in a coherent exciton-phonon-photon system using subsystem-resolved quantum mutual information (QMI). By employing a model with excitonic, phononic, and photonic degrees of freedom, we analyze the dynamics in the $J$-$\nu$ plane, where $J$ characterizes excitonic delocalization and $\nu$ denotes the exciton-phonon coupling strength. By comparing time-averaged QMI maps with the absorbed photon number, we show that optical activity alone does not determine the character of the light-induced transient state. The exciton-centered information partition identifies a broad crossover between polariton-like and polaron-like transient responses, depending on whether excitonic information is mainly shared with the photon or phonon subsystem. In contrast, the phonon-centered partition reveals a sharper boundary-adjacent redistribution ridge near the boundary between the zero- and one-exciton ground-state sectors. This ridge is absent from both the ground-state sector map and the photon-absorption map, indicating that it is neither a static sector boundary nor an enhancement of optical absorption. A variational strength-function analysis connects the ridge to a region-II-like finite-energy polaronic excitation whose dominant spectral weight lies near the one-phonon energy, and thus the ridge represents a hidden transient correlation structure in which a limited amount of phonon-related information is preferentially shared with the photon subsystem before being predominantly allocated to exciton-phonon dressing. These results show that QMI-based information partition provides a correlation-based framework for characterizing coherent light-induced transient states in which optical and material degrees of freedom jointly participate quantum mechanically.
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Statistical Mechanics · Cross-listed from nlin.CG

Effect of rewiring for a sandpile model on a directed network

Several studies have considered sandpile dynamics not over regular grids, but over networks. In this case, avalanches redistribute grains not between neighboring sites in a geometrical sense, but between connected sites, in a topological sense. However, depending on how nodes are connected, grains may never leave the system, preventing energy release. In this work, we study the simplest case, the BTW model in one and two dimensions, rewiring the nodes so that at every rewiring step, the energy release is always possible, and study avalanche statistics as a function of rewiring. In the 1D case, a transition is observed in the Gini coefficient of the load distribution per node at about 85% the number of possible rewirings, a transition which is not evident with other measures, such as the size distribution of avalanches or the mean distance between nodes in the network. In the 2D case, energy release follows a power law even when the grid is fully rewired, while the Gini coefficient, unlike the 1D case, decreases at a steady rate, with a smoother transition. The effect of network size N is studied, finding that there is a transition for the Gini coefficient at the thermodynamic limit N \to \infty for both the 1D and 2D cases, transition which is also observed in the betweenness centrality, but not in other topological measures. Finally, the dependence of the results with the load per rewiring iteration, and the avalanche threshold is studied.
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Disordered Systems and Neural Networks

Boundary-Controlled Liouvillian Relaxation with Exact Steady States Fixed by Dissipative Disorder

In open quantum lattice systems, changing the boundary condition would appear to alter both the steady state and the nonzero Liouvillian spectrum. Here we show that boundary conditions can be used to control relaxation without changing the reduced steady state. In a disordered dissipative quantum link chain, the steady state is determined by an accumulated field defined by link-resolved dissipative disorder, and a gauge-generated transformation built from this field gives exact symmetry-resolved steady states with nonuniform, accumulated-field-dependent reduced matter occupations. We then construct a reciprocal cyclic boundary condition that preserves these matter occupations while changing the nonzero Liouvillian spectrum. Consequently, open and cyclic chains relax to the same reduced matter steady-occupation profile with different Liouvillian gaps with the cyclic closure accelerating relaxation. In the strong-dissipation limit, this relaxation difference can be reduced to a spectral comparison of effective exclusion processes with open and cyclic boundaries.
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All authors Yazhuang Miao, Weizh Ma, Yong Wang, Xiaolong Zhao, Xuexi Yi

Materials Science

Spin-orbit-enabled Fermi-surface splitting in noncollinear antiferromagnetic SmBi

Spin-split electronic structures in compensated antiferromagnets are commonly sought in the nonrelativistic limit, where magnetic order lifts spin degeneracy without spin-orbit coupling (SOC). Whether SOC can instead be the indispensable symmetry-breaking ingredient remains largely unexplored. Here we combine quantum oscillations detected by ultrahigh-sensitivity ac magnetostriction, magnetic-symmetry analysis and first-principles calculations to resolve the bulk Fermi-surface evolution of SmBi across two successive antiferromagnetic (AFM) transitions. New oscillation branches emerge below TN and undergo a further reconstruction below T*, whereas isostructural SmSb shows no comparable change. For the candidate noncollinear orders of SmBi, breaking global parity-time symmetry is insufficient in the nonrelativistic limit because residual spin-space symmetries protect twofold band degeneracy; conversely, SOC alone cannot lift the degeneracy of the centrosymmetric paramagnetic (PM) phase. Only the coexistence of noncollinear order and SOC locks spin to the lattice and removes the residual protection. SmBi therefore realizes a cooperative, relativistic route to spin-split Fermi surfaces, broadening unconventional magnetism beyond systems whose splitting is already present in the nonrelativistic limit.
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All authors Long Zhang, Ming Cheng, Jingyu Li, Honghao Wan, Xiaoyuan Zhou, Mingquan He, Aifeng Wang, Yuping Sun, Dong-Hui Xu, Huixia Fu, Youguo Shi, Xuan Luo, Yisheng Chai

Disordered Systems and Neural Networks · Cross-listed from physics.soc-ph

Distance from home matters: Investigation of a basic movement strategy

Discovering the fundamental dynamical rules that generate the main statistical features of human mobility is essential for understanding the mechanisms underlying such processes. A prominent example is the exploration and preferential return model and its generalizations, which successfully reproduce several empirical findings. Here, we exploit another observation: the endpoint distances of a trip from the trajectory's starting point are strongly correlated. We consider a movement process in which each user performs a sequence of trips to satisfy a set of demands, given a spatial distribution of suppliers on a two-dimensional lattice. In each trip, destinations are chosen with a probability that depends on the ratio of the initial and final distances from the user's origin (home). We show that even a single agent with uniformly distributed demands and suppliers qualitatively reproduces key empirical statistics, such as the power-law distribution of traveled distances. The results are also robust to introducing interactions between agents via queues and incorporating more realistic demand and supplier distributions.
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All authors Mohsen Ghasemi Nezhadhaghighi, Yahya Khalili, Behafarid Hemmatpour, Abolfazl Ramezanpour

Statistical Mechanics

The Market Crystal: A Spin-Lattice Model for Collective Cryptocurrency States

Collective dynamics in financial markets can emerge through synchronized movements of large groups of assets. Motivated by analogies with interacting many-body systems, we introduce a spin-lattice representation for analyzing collective states in cryptocurrency markets. In this framework, assets are encoded as binary spin variables according to the sign of their returns, while correlations between assets determine effective interaction strengths. A correlation-based breadth-first search (CBFS) procedure embeds 169 cryptocurrencies into a $13 \times 13$ lattice, enabling the construction of an Ising-like Hamiltonian describing the market configuration, which we call the Market Crystal. Macroscopic observables such as magnetization and energy provide a statistical-mechanical characterization of collective market states. The resulting phase-space structure highlights regimes of strong alignment and fragmentation among assets, with an energy–magnetization pattern suggestive of predominantly ferromagnetic interactions. This framework offers a statistical-mechanical viewpoint for studying collective behavior in financial systems.
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Materials Science

Sliding ferroelectricity tunable conventional and anomalous spin Hall effects in bilayer 1T'-WTe2

The spin Hall effect, recognized for its high-speed, low-power, and highly controllable characteristics, is a key enabler for next-generation memory and logic devices. However, a primary challenge lies in achieving 180$^{\circ}$ magnetization switching without an external magnetic field in spin-orbit torque devices. Here, we propose a method to tune the conventional and anomalous spin Hall effects by the intrinsic sliding ferroelectricity. Importantly, the anomalous spin Hall effect can enable the field-free switching of perpendicular magnetization. We find a substantial anomalous spin Hall conductivity of $\sigma_{xy}^{y}$ = 45.62 ($\hbar$/e)S/cm and $\sigma_{yx}^{y}$ = 56.84 ($\hbar$/e)S/cm in monolayer 1T'-WTe$_2$. These values are significantly enhanced to $\sigma_{xy}^{y}$ = -96.77 ($\hbar$/e)S/cm and $\sigma_{yx}^{y}$ = 104.03 ($\hbar$/e)S/cm in the bilayer 1T'-WTe$_2$. More interestingly, the sliding ferroelectricity enables reversible switching of the signs and magnitudes for both the conventional and anomalous spin Hall conductivities. This originates from the fact that the sliding ferroelectric markedly shifts the relative spin Berry curvature contributions from the valence and conduction bands around the $\Gamma$-X path. Our findings not only reveal a strong coupling between sliding ferroelectricity and spin transport, but also propose a strategy for the nonvolatile electrical control of spintronic devices.
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All authors Chao Wu, Pengqiang Dong, Kai Wei, Hanbo Sun, Ping Li

Materials Science

Stacking-Directed Polarization and Excitonic Engineering in MoS$_2$/MoSe$_2$ van der Waals Heterostructures

The stacking-dependent polarization and excitonic response of MoS$_2$/MoSe$_2$ heterostructures were investigated using GW+BSE many-body perturbation theory. While homobilayer MoS$_2$ exhibited a switchable interlayer dipole driven by registry-induced symmetry breaking, the MoS$_2$/MoSe$_2$ hetero-interface remained pinned by the intrinsic chemical potential mismatch between sulfur and selenium. In 2L-MoS$_2$/MoSe$_2$ trilayers, the stacking sequence enabled a deterministic control of photogenerated electrons between the central and bottom MoS$_2$ layers, governed by internal electric fields and quasiparticle band-edge shifts of 60–70~meV. Our calculations predicted a 36~meV interlayer excitonic shift, in remarkable agreement with recent experiments. These results elucidate the microscopic link between atomic registry and many-body interactions, establishing transition metal dichalcogenide trilayers as a potential platform for sliding ferroelectricity and programmable optoelectronic functionalities.
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Soft Condensed Matter

Generation of two-dimensional pulses in lipid monolayers by rapid photoswitching

We study pressure pulse generation and propagation in lipid monolayers by an experimental approach employing rapid photoisomerization of photoswitchable lipids (azoPC). This allows us to generate longitudinal surface pressure pulses by optical flash excitation in both free and constrained layer geometries. We compare the observed pulse shapes with a theoretical approach based on a nonlinear fractional wave equation for a surface displacement field, where a fractional time derivative term captures the hydrodynamics of the monolayer subphase. We explore channel geometries of different lengths and widths and find quantitative agreement between theory and experiment regarding pulse speed and pulse shapes. For narrow channels, we employ a one-dimensional version of the fractional wave equation to study pulse propagation without any fit parameters by using the pressure signal at a close pressure sensor as boundary condition to predict the pressure signal at a second far sensor. A full two-dimensional description can capture all effects arising from the channel geometry for wider channels using one common set of fit parameters for the pulse excitation that can be applied to all geometries. The nonlinearity in the fractional wave equation plays no role in explaining the observed pulse shapes because pulse amplitudes generated by azoPC photoswitching remain very small.
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All authors Tom Rosenstein, Philipp Zolthoff, Jan Kierfeld, Matthias F. Schneider

Strongly Correlated Electrons

Magneto-ionic control of topological transport in SrRuO3 via band topology engineering

The interplay between spin-orbit coupling (SOC) and nontrivial band topology in ferromagnets gives rise to a rich landscape of topological transport phenomena such as anomalous Hall effect (AHE) and topological Hall effect (THE). One central goal in modern spintronics lies in the realization of the active control over topological transport phenomena in a reversible fashion, while unambiguously disentangling respective contributions of THE and AHE to the net Hall effect remains a formidable challenge. Here we establish magneto ionic control as a powerful paradigm for dynamically engineering topological transports in a 4d-orbital SrRuO3 system with sizable SOC and itinerant ferromagnetism. Harnessing controllable protonation or oxygen vacancy incorporation, the Fermi-level upshift relative to avoided band crossings are realized through band filling control, giving rise to tunable reversal temperature of AHE polarity. Of particular note is the emergence of hump like Hall anomalies through extensive ionic doping that can be reversibly switched, irrespective of AHE polarity, providing evidence for a THE signal driven by broken inversion symmetry rather than a two channel AHE. Our findings provide a viable tuning knob for Berry curvature engineering, enabling on demand control of topological transports in strong SOC ferromagnets for low power, reconfigurable all oxide spintronic devices.
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All authors Xuanchi Zhou, Xiaohui Yao, Xiaomei Qiao, Guowei Zhou, Wenjing Huo, Shuang Li, Huihui Ji, Xiaohong Xu

Materials Science · Cross-listed from physics.chem-ph

The impedance of a charged flat-plate electric double-layer capacitor

We calculate the impedance of a flat-plate electric double-layer (EDL) capacitor by means of Finite Element Method simulations of modified Poisson–Nernst–Planck equations. In Nyquist representation, the impedance spectra show a slanted line at intermediate frequencies if the capacitor is biased by a voltage, $U_\mathrm{bias}\neq 0$, or if the cation and anion diffusion coefficients differ, $D_-\neq D_+$. By inspecting the concentration perturbations in the relevant frequency range, we confirm that the slanted line is in both cases related to ambipolar salt diffusion. On the basis of our impedance data, we disprove two previously made claims: 1) that the width $R_\mathrm{sl}$ of the slanted-line region represents an EDL resistance; and 2) that the slope $k_\mathrm{sl}$ of the slanted line is a measure of the ratio of the diffusion and charging time scales, $\tau_\mathrm{diff}/\tau_\mathrm{c}$. For the quantitative analysis of flat-electrode EDL capacitor impedance, we propose instead two equivalent circuits, for the cases $D_-\neq D_+$ and $U_\mathrm{bias}\neq 0$. These two cases give rise to antisymmetric and symmetric salt perturbations, which are best described by a Warburg short and Warburg open element, respectively. From our circuit analysis, we obtain quantitative relations that link the Warburg prefactors to the ambipolar diffusion coefficient, the chemical capacitance of the bulk electrolyte, and the differential charge efficiency of the EDLs. We thus provide a theoretical framework that explains why the width of the slanted line saturates at large biases, why it vanishes for large ion packing fractions, and how the system's overall capacitance is limited by the finite amount of ions in a closed system.
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Statistical Mechanics

Nonlocal fractional Kardar-Parisi-Zhang dynamics of grain boundaries

The kinetic roughening of driven grain boundaries (GBs) is fundamentally mediated by the collective behavior of disconnections, whose long-range $1/r$ elastic interactions distinguish them from conventional growing surfaces. Through large-scale molecular dynamics simulations and a nonlocal fractional Kardar-Parisi-Zhang (fKPZ) theory, we demonstrate that driven GBs undergo a sharp transition of morphology at the yield point, from the quenched Edwards-Wilkinson universality class ($H \approx 0.33$) to an anomalous fKPZ regime ($H \approx 0.8$), while the 1/r nonlocal elasticity manifests as the fractional relaxation of GB morphology. The results show that the avalanche noise arrests the gradient catastrophe induced by the KPZ nonlinearity. Governed by the nonlocal elastic kernels, the resulting morphology breaks the Gaussian self-affinity and parallels the universality class of dynamic fracture.
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Materials Science · Cross-listed from physics.app-ph

Revisiting Theoretical Modeling of Seebeck Coefficient of Semiconductors

We revisit the closed-form models of Seebeck coefficient, and identify the thermodynamic flaws in those extensively-used methodologies, essentially including the confusion of electrochemical potential and electrical potential within the definition, arbitrarily neglecting the dependence on conduction band bottom and Fermi level when calculating distribution function spatial gradient, and the improper heat flux presentation. Here, an alternative methodology is presented, which derives the Seebeck coefficient model based on the drift-diffusion equation with the Soret effect in the open circuit condition. The reversible model that eliminates the electron velocity and relaxation terms in the formulation is recovered for the band term in the near-equilibrium case, and it can give the lower bound of Seebeck coefficient in theory, while the phonon-drag term is of the identical form to the Boltzmann transport equation(BTE)-based one. A case study is performed for highly-n-doped Silicon, where the reversible, ballistic(based on Landauer formulation) and BTE models are compared with each other and with the experimental data. The reversible model gives the fairly-good predictions for the experiments. Given its theoretical-soundness, simple form and low computation cost, the reversible model can serve as a concise alternative for evaluating thermoelectric properties in both the reversible and near-equilibrium cases.
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Strongly Correlated Electrons

Spectroscopic fingerprints of a ferroaxial charge density wave

Unconventional charge density waves (CDWs) with complex order parameters can host exotic collective modes and non-trivial topologies. They have emerged as a new frontier in the study of quantum matter. Recent experiments on rare-earth tritellurides have reported evidence for a ferroaxial CDW through the detection of characteristic Raman modes. This phase, often regarded as a hidden order, has been recognized to arise from the coupling between charge and orbital degrees of freedom in these materials. Yet, spectroscopic insight into its underlying electronic structure and the explicit form of its order parameter symmetry has remained elusive. Here, we present results from linearly polarized angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM) measurements of the CDW phase in LaTe$_3$. Our ARPES measurements reveal a complex landscape of spectral gaps across the reconstructed Fermi surface, while our STM-based quasiparticle interference (QPI) mapping, enhanced through the selective deposition of atomic scattering centers, directly reveals an inter-orbital CDW with mixed $p_x$-$p_z$ orbital character. The detailed analysis of the QPI characteristics in terms of the order parameter symmetry within the orbital subspace of the Fermi surface suggests a mixed CDW phase with substantial ferroaxial component, which breaks all vertical mirror symmetries. More broadly, our work establishes a powerful spectroscopic pathway, based on scattering off individual atoms, for identifying and characterizing hidden, multi-component electronic orders in quantum materials using STM and ARPES measurements.
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All authors Jiangchang Zheng, Zhongyi Zhang, Fazhi Yang, Josh Leeman, Luanjing Li, Zihan Lin, Zijian Fei, Tianhao Guo, Siyu Heng, Xin Liang, Leslie M. Schoop, Junzhang Ma, Hoi Chun Po, Berthold Jäck

Mesoscale and Nanoscale Physics

Antiferromagnetic pseudospintronics without spin splitting

Antiferromagnets (AFMs) are promising for high-density spintronics due to their zero net magnetization, yet conventional AFM spintronics relies on spin splitting-a requirement that excludes many collinear AFMs with compensated spin sublattices. Here we exploit the sublattice degree of freedom in a honeycomb AFM with zero spin splitting. We uncover a coupling between spin and sublattice: the out-of-plane pseudospin polarization is spin-dependent, a mechanism we term partial pseudospin-spin coupling. This allows switching of the pseudospin polarization by reversing the Néel vector. Introducing an impurity into a specific sublattice induces Friedel oscillations with a sublattice-resolved amplitude ratio dictated solely by the pseudospin polarization, which is directly measurable by spin-polarized scanning tunneling microscopy. Furthermore, we demonstrate Néel-vector-controlled transmission and a large nonvolatile tunneling magnetoresistance in an all-in-one AFM junction, with pronounced resonant enhancement in gate-tunable two-dimensional devices. Our work establishes a new paradigm-AFM pseudospintronics-that utilizes the sublattice pseudospin in zero-spin-splitting AFMs, extending spintronics beyond the conventional spin-splitting paradigm.
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All authors Shu-Hui Zhang, Shu-Qi Liu, Dan-Yang Han, Zhan Kong, Ding-Fu Shao, Wen Yang, Kai Chang

Quantum Gases · Cross-listed from quant-ph

Prethermal cooling with many-body quantum quenches

Many-body quantum quenches are typically associated with heating. In this work, we show that quantum quenches that perform positive work on the system can still lead to effective cooling of low-energy degrees of freedom if the quench energy is deposited in long-lived high-energy excitations. We discuss this explicitly for a quench of the hopping term t in the strong-coupling (U >> t) fermionic Hubbard model at half filling, where the quench induces a very long-lived non-equilibrium doublon density. The associated prethermal state persists for a time exponentially large in (U/t)^2. During this time window, we find an effective prethermal temperature that is reduced by the square of the ratio of final to initial hopping amplitude with respect to the initial temperature. This manifests as an effective fluctuation-dissipation relation that holds for doublon-number conserving operators. In a practical implementation the Hubbard system acts as a refrigerant to cool a target system provided the coupling conserves doublon number. Our protocol can be thought of as a quantum quench many-body generalization of adiabatic demagnetization.
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All authors Jacob F. Steiner, Mohammad Hafezi, Stefan Kehrein, Gil Refael

Soft Condensed Matter

Saturation Coverage in Binary Mixtures of Oriented Regular Polygons via Random Sequential Adsorption

We study saturation in two-dimensional binary mixtures of fixed-orientation regular polygons deposited by random sequential adsorption (RSA). Polygons with (n\in{3,\dots,23}) are considered under an equal-area constraint, isolating shape effects from size effects. Saturated configurations are generated using an adaptive split-voxel RSA algorithm with exact overlap detection based on the Separating Axis Theorem, allowing a systematic exploration of all distinct binary shape combinations. Jamming coverage depends strongly on polygon geometry despite identical particle area. Triangle-containing mixtures yield the lowest coverages, whereas axis-aligned squares achieve the maximum observed value, (\phi_sat\approx0.5646). Even-sided polygons consistently outperform neighboring odd-sided polygons, revealing a parity effect associated with centrosymmetry. For odd (n), the pure-species saturation approaches the disk RSA limit (\phi_disk\approx0.547) from below according to (\phi_sat(n)=\phi_disk-c/n^\alpha), with (\alpha\approx2.41\pm0.06), close to the (1/n^2) scaling expected from isoperimetric arguments. Even-sided polygons instead converge from above, indicating a symmetry-driven packing advantage that disappears only in the circular limit. These trends are explained through the excluded area (E_{AB}=\mathrm{Area}(P_A\oplus(-P_B))), computed analytically via Minkowski sums. Centrosymmetry fixes (E_{AA}=4A_0) for even (n), whereas odd polygons have a larger excluded area that decreases monotonically toward the same limit as (n\to\infty). Saturation coverage is negatively correlated with excluded area, consistent with a mean-field RSA description and directly linking geometric symmetry to jamming efficiency.
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Friday 19 June

Materials Science · Cross-listed from physics.ins-det

Icing monitoring with thickness shear acoustic waves

Icing monitoring and ice detection are critical challenges across many industries where ice formation can severely degrade performance or compromise safety. Conventional ice sensing approaches, such as those based on surface acoustic waves (SAWs), often suffer from limited selectivity, fast saturation, and slow or energy-consuming recovery. In this work, we propose the use of thickness shear mode bulk acoustic waves (TSM AWs) as a selective and robust alternative for monitoring icing phenomena, ranging from frozen sessile droplets to ice accretion in near-real scenarios within aeronautical envelopes. The sensing platform consists of a LiNbO3 plate activated through lateral field excitation electrodes and driven electronically by a Vector or Scalar Network Analyzer. This system reliably detects both freezing conditions and temperature variations. Tracking the evolution of the magnitude of the reflection coefficient, specifically, the resonance peak and shape and frequency of|S11| minimum, of a strongly shear dominant mode provides a reliable means to characterize and extract both qualitative and quantitative information about icing processes. Finite element simulations further elucidate the physical mechanisms governing the ice monitoring capabilities. These results position TSM AW devices as promising candidates for a new generation of simple, light-weight, highly sensitive, and robust acoustic wave icing sensors.
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All authors Jaime del Moral, Miguel González del Val, Víctor Rico, Juan R. Sánchez-Valencia, Julio Mora, Paloma García Gallego, Francisco Carreño, Andreas Winkler, Agustín R. González-Elipe, Ana Borrás, Stefan Jacob

Materials Science

Real-Space Mapping of Electronic Conductivity in Complex Materials

We introduce KuboMap, a real-space representation of electronic conductivity derived from the Kubo-Greenwood formula. KuboMap defines a nonnegative conductivity density whose spatial integral recovers the total conductivity and whose form is guided by Mott's picture of transport through spatially overlapping electronic states. This construction provides a direct map of the transport-active regions of a material. Applied to aluminum, KuboMap recovers an extended metallic conduction network. Applied to amorphous silicon, it distinguishes an insulating defect-free network from a defective structure in which localized near-Fermi states form connected hopping-like pathways. In silicon-oxides, it captures the loss of conduction as increasing oxygen content disrupts Silicon-rich transport networks. KuboMap provides a physically transparent route from Kubo–Greenwood conductivity to real-space transport pathways in complex materials.
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Materials Science

Interpretable Material Spatial Intelligence for Discovery of Governing Microstructural Features

Many material systems exhibit complex spatial and temporal interactions across multiple length scales and modalities that govern macroscopic behavior. Although Machine Learning (ML) is widely used in materials science to predict this behavior, most approaches still rely on handcrafted descriptors or aggregated representations that overlook spatial organization, limiting insight into governing mechanisms. We introduce Materials Spatial Intelligence (MSI), a framework inspired by spatial intelligence that learns directly from multimodal spatial observations of material systems. MSI encodes high-resolution microstructural and deformation data into shared latent representations that preserve spatial relationships while supporting property prediction, interpretation, and optimization. By combining multimodal representation learning, MSI identifies the key features governing mechanical behavior and property trade-offs in structural alloys. Beyond prediction, MSI enables feature-driven microstructure optimization and mechanism discovery. More broadly, MSI establishes a foundation for applying spatial intelligence to materials science, leveraging interpretable ML systems to accelerate scientific discovery and materiel design
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All authors Mathieu Calvat, Gregory Sparks, Dhruv Anjaria, Chris Bean, Haoren Wang, Paul Gradl, Timothy M. Smith, Allison M. Beese, Gabriel Demeneghi, Kenneth Vecchio, Morad Behandish, J.C. Stinville

Materials Science

Computational references are not experiments: pre-registered validation of machine-learned sodium-cathode voltages

Machine-learning screens for battery materials are trained and judged almost entirely against computed reference voltages, and those references carry their own systematic errors. We report a case in which this matters quantitatively: our own screening stack (a graph-network voltage screen, a prior-art triage layer, and a local PBE+U bench) fails pre-registered validation against experiment-anchored literature values. Verdict thresholds, failure modes, and the primary metric were committed before analysis. On an operator-audited set of known Na-ion cathodes (n = 6 after one documented exclusion; verdict unchanged at n = 7), the raw held-out mean absolute error was 0.67 V, the pre-registered conservative metric, the upper 95% confidence bound of the cross-validated bias-corrected error, was 1.09 V, and the residual was strongly voltage-dependent (r = -0.94), so no additive calibration is valid. On the two compounds where prediction, database reference, and experiment could all be compared, the Materials Project PBE+U reference sat about 0.54 V below measurement: the reference, not the model, dominated the error. A prior-art screen found at least 70% of the targeted Na substitution space already published. We retire the screen, bound what "verified" means for our DFT ledger, and pre-register a calibration audit of it against four benchmark Li couples.
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Statistical Mechanics · Cross-listed from q-fin.CP

Semi-Analytical Pricing for General Default Intensity Models

Using the path-integral formalism, we develop an accurate and easy-to-compute semi-analytical approximation for a general class of {default intensity} models. We illustrate the accuracy of the method by presenting results for the Black-Karasinski model for which the proposed approximation provides remarkably accurate results, even in regimes of high volatility and multi-year time horizons. The accuracy and the computational efficiency of the proposed approximation makes it a viable alternative to fully numerical schemes for a variety of applications in econometrics and derivatives pricing, including the computation of XVA for credit products. As a practical example, we consider the pricing of a quanto Credit Default Swap (CDS) under stochastic intensity of default and an FX devaluation model.
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Materials Science

The FAST Framework: Developing a Data-Efficient Machine Learning Potential to Decode Superionic Transition-Induced Thermophysical and Kinetic Anomalies in UO2 under Extreme Conditions

Uranium dioxide ($UO_2$) serves as the predominant nuclear fuel globally. Despite its widespread application, evaluating its mechanical, thermophysical, and species transport behaviors under extreme accident scenarios remains a formidable challenge for conventional experimental and computational methods. To address this, we develop a versatile machine learning interatomic potential (MLIP) for $UO_2$ by proposing an efficient training strategy, termed the "FAST" (Fine-tuning via Active-learning and Superionic-Targeting) framework. Our "FAST" framework integrates superionic transition-targeted sampling with active learning-enhanced exploration to efficiently construct a highly compact dataset comprising only 500 configurations for fine-tuning a foundation model. By rigorously accounting for the strong correlation of uranium 5f electrons and antiferromagnetic (AFM) ground state during DFT labeling, we train a robust DFT-level neuroevolution potential (NEP) for $UO_2$. We demonstrate that this NEP exhibits superior predictive capability for various physical properties, encompassing mechanical, defect, thermophysical, and ionic diffusion over an extensive temperature range. Moreover, this NEP accurately captures the anomalous thermophysical and kinetic behaviors triggered by superionic transition. Specifically, it reproduces both the $\lambda$-peak in linear thermal expansion coefficient (LTEC) and "non-Arrhenius" anionic diffusion. Crucially, NEP-based simulations elucidate the microscopic origins underlying these anomalies: the pre-melting of oxygen sublattice and resultant kinetic decoupling between U and O ions.
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All authors Fengnian Zhuang, Gaosheng Yan, Hong Chen, Yi Zhang, Wenshan Yu, Minglong Xu, Shengping Shen

Mesoscale and Nanoscale Physics

Solid-state transcapacitor, a new gain element for logic, memory and interconnects

Today's transistors dictate the voltage and charge scales for both logic and memory. While AI systems are recognized to be limited by memory energy, the dominant share of the energy is expended in the intrachip interconnects whose voltage and charge scales are set by transistors. The energy scaling challenges of transistors can be attributed to simultaneously meeting high current density, high current/impedance modulation, and the inability to lower voltages. Hence, a new logic element that lowers the voltage and charge needs is a priority, not only for lowering logic power but also memory access power. Here, we propose a novel 3-terminal logic element for low energy computing, a solid-state transcapacitor (TCAP). A TCAP is a solid state displacement current modulator realized by a gate which controls the charge-voltage relationship of the channel. Unlike transistors, TCAPs eliminate the dissipative transport current, are not bound by the Boltzmann current modulation limit, and operate with displacement currents limited only by the polarization response and contact resistance. Hence, TCAP circuits may simultaneously overcome the voltage, current density, and current modulation limits of CMOS. We describe a solid state TCAP using a piezoelectric transcapacitor in which a gate-controlled stressor modulates the capacitance of a polar channel via electromechanical coupling. This device achieves inversion and gain, essential for logic, and is functionally equivalent to a 1T-1C memory cell, enabling dense memory. Using voltage scaling, capacitive energy recovery, and high polarization densities of polar materials, the logic based on TCAP offers a pathway to 100 fold lower energy consumption with a delay comparable to ultimately scaled CMOS devices. This approach provides a new potential pathway for low-energy computing beyond the limits of transistors using electro-mechanics and multiferroics.
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All authors Amrita Mathuriya, Roza Kotlyar, Neal Reynolds, Rafael Rios, Alan Kalitsov, Peter B. Meisenheimer, James Clarkson, Noriyuki Sato, Tanay Gosavi, Ramamoorthy Ramesh, Dmitri E. Nikonov, Sasikanth Manipatruni

Materials Science

Interaction between point defects and vertical inversion domain walls in wurtzite AlN

Alloyed aluminium nitride compounds constitute a promising class of ferroelectric materials due to their high remanent electric polarizations, large band gaps and structural compatibility with a growth on Si substrates. Such materials nonetheless possess large coercive fields and polarization-switching mechanisms are still debated. We performed first-principles calculations to investigate the stability of isolated point defects in the vicinity of a vertical inversion domain wall (DW). We found that all studied defects are energetically more stable at or near the DW. Depending on their nature, they can have the opposite effect on the displacement of the DW, which occurs during polarization switching. Finally, we discuss how likely the different defects may be responsible for leaking currents and degraded ferroelectric properties.
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All authors Loris Naudin, Charles Paillard, Laurent Bellaiche, Lionel Calmels, Rémi Arras