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Physics Physics

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Friday 11 September

Plasma Physics

Sensitivities of electron-scale core transport in MAST Upgrade

Integrated modelling of the Mega Ampere Spherical Tokamak Upgrade (MAST-U) indicates that turbulent electron heat transport can dominate over ion transport across a range of operating regimes. Only a limited set of instabilities are able to produce this behaviour, with the primary candidates being microtearing modes (MTMs) and electron temperature gradient (ETG) driven modes. This work investigates electron-scale core transport in two L-mode plasmas and one H-mode plasma on MAST-U using local gyrokinetic analysis. The linear and nonlinear sensitivities of ETG modes are examined, with particular focus on their dependence on electron temperature gradients and ExB shearing rates. In L-mode discharges, ETG modes are found to be linearly unstable over a broad radial region and can drive experimentally relevant levels of electron heat transport, particularly towards the outer core. The transport is strongly sensitive to both the electron temperature gradient and the ExB shear, with nonlinear simulations showing stiff transport and good agreement with experimental estimates within uncertainty. Towards the core, however, ETG-driven transport is reduced and is insufficient to fully explain the observed anomalous heat flux. In contrast, in the H-mode plasma ETG modes are found to be stable or only weakly unstable in the core, resulting in negligible electron-scale transport. This is attributed to higher equilibrium pressure gradients and reduced electron temperature gradients, both of which stabilise ETG turbulence. Following the collapse of the core rotation profile, ETG modes can become unstable towards the outer core, but typically remain insufficient to account for the full level of transport. Overall, ETG turbulence can play a significant role in setting electron heat transport in L-mode plasmas, particularly at larger radii, but is unlikely to dominate in high-performance H-mode conditions.
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All authors B.S. Patel, T. Adkins, S. Blackmore, D. Kennedy, C. Vincent

Fluid Dynamics

Large-scale dynamics of equatorial thermal spots

For a model of a thin spherical layer of an incompressible rotating fluid subjected to the action of Coriolis and buoyancy forces, both analytical solutions in the form of stationary thermal spots moving along the equator and self-similar solutions are found. The influence of the parameters determining the shape of the spots on their propagation speed and direction is studied. It is found that the speed and direction of motion of the spots depend not only on the sign of their thermal contrast with the background flow, but also on the ratio of the semi-axes determining their shape. In particular, if the ratio of the equatorial semi-axis to the meridional one $b/a$ is equal to $\pi/2$, the spots are at rest. If the spots are elongated along the equatorial axis to such an extent that $b/a>\pi/2$, then “cold” spots move westward and “hot” spots move eastward. Under the condition $0.747\leq b/a<\pi/2$, the situation is reversed: “hot” spots move westward and “cold” spots move eastward. Self-similar solutions in the model are realized strictly in the form of circular thermal spots, and their radius varies according to a power law with a scaling exponent $k$, which is determined by the behavior of the cross-frontal buoyancy gradient on the spot contour. We note that the regime $k=1/4$ is realized under the assumption of a constant buoyancy gradient, while the regime $k=1/6$ corresponds to the conservation of total buoyancy.
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Geophysics · Cross-listed from astro-ph.EP

The core-mantle mode of gravitational oscillation

We present the characteristics of a mode of axial oscillation between Earth's mantle, fluid core and solid inner core that has not been previously reported. The mode involves a quasi-rigid rotation of the fluid core outside the tangent cylinder (TC) exchanging its angular momentum with the mantle via a three step process. First, by a magnetic torque with the fluid inside the TC; second by a magnetic torque between the latter and the inner core; and finally by a gravitational torque between the inner core and mantle. Although the gravitational torque is purely between the mantle and inner core, the mode involves an oscillation of the whole of the core, and we refer to it as the core-mantle gravitational (CMG) mode. This form of gravitational oscillation occurs when the magnetic field within the core is sufficiently strong that the propagation time of Alfvén waves is shorter than the mode period, which is the case for Earth. We show how the period, quality factor $Q$ and structure of the CMG mode depends on the strength of the gravitational torque and viscous relaxation time $\tau_i$ of the inner core. For Earth, the CMG mode period should be in the range of 40 to 100 years, but viscous relaxation of the inner core likely implies a small $Q$, below 1 if $\tau_i<10$ years. Our results suggest that the CMG mode may act to amplify resonantly, though only modestly, multi-decadal changes in the length of day driven by zonal accelerations in the fluid core.
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Computational Physics · Cross-listed from cond-mat.mes-hall

Topological classification through knotted graphs: Fermi surface dispersions and Lifshitz transitions

Knot theory has provided a rich topological taxonomy for band structures, but its reach is fundamentally limited: knot invariants classify only 1D nodal lines at gap closure, and cannot encode the full dispersion or rich Fermi surface structure of realistic materials. Here we show that knotted graphs (knots that admit graph-like intersections in 3D space) - which have so far been elusive in condensed matter literature - provide a unified topological language for classifying the entire band dispersion, and even the eigenstate topology in some contexts. We propose a new framework beyond the existing Yamada polynomials that can topologically characterize the intricacies of realistic Fermi surfaces completely, crucially including how their multiple disconnected pieces are nested. This yields the Yamada set, a boundary-resolved extension which organizes the full topological evolution across energy into a Yamada sequence: a compact dispersion-level fingerprint directly tied to experimental signatures of Lifshitz transitions. Our framework is demonstrated with DFT-based band structures of real materials. Beyond dispersion-level classifications, this framework can be extended to non-Hermitian exceptional surfaces, where Berry-curvature flux further equips the knotted-graph skeleton with a directed Abelian edge flow that also captures the eigenstate topology.
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Chemical Physics

Can Autonomous LLM Agents Execute Multireference Quantum Chemistry Calculations?

Multireference electronic-structure calculations remain difficult to automate because critical workflow decisions, including active-space selection, state averaging, convergence recovery, and state identification, traditionally rely on expert judgment. Here, we investigate whether an autonomous large language model (LLM) agent can perform these tasks without human intervention. The agent selects active spaces using literature-grounded analogies or explicitly documented chemical reasoning, generates and submits ORCA calculations, analyzes outputs, and records all decisions in an auditable reasoning log. Benchmarking against 558 vertical transition energies (VTEs) from QUESTDB shows that an unguided baseline agent achieves 24.9% coverage with a mean absolute error (MAE) of 0.373 eV. Introducing a structured decision ladder increases coverage to 44.1% while reducing the MAE to 0.339 eV. The largest gains are observed for double and Rydberg excitations, demonstrating that expert-informed procedural guidance substantially improves active-space construction and state identification. When provided with complete workflow information, the agent successfully reproduces published QUEST calculations with an MAE of only 23 meV, resolving 75% of target configurations within seven attempts. These results demonstrate that contemporary LLM agents can autonomously execute and reproduce complex multireference quantum-chemical workflows, while highlighting the importance of structured reasoning frameworks for achieving reliable high-throughput and high-fidelity electronic-structure calculations.
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Optics

Momentum microscopy of ultrafast electron emission from a strongly driven optical nanoantenna

Metallic nanostructures in combination with femtosecond lasers are a well-suited platform for the control of photoelectrons by strong and nano-localized driving fields, with high relevance for ultrafast, coherent electron emitters and petahertz electronics. Photoelectron spectroscopy resolves such photoelectron dynamics, but lacks nanoscale spatial resolution, making it only suited for single emitters or homogeneous arrays. We report the first strong-field experiment combining both photoemission electron microscopy and momentum microscopy, two complementary techniques providing spatial and momentum resolution within the same instrument. We apply this new methodology to a double-hole nanoantenna with sub-10 nm apex radii, demonstrating the potential of this approach for the control of photoelectrons in heterogeneous nanostructured samples using few-cycle light fields. Our measurements reveal distinct signatures of two classes of electron trajectories in the near-field. Quiver trajectories result in directed, angularly more focused emission, whereas subcycle trajectories give rise to a broader transverse momentum distribution. Surprisingly, this observation disagrees with previously reported emission characteristics from nanotip emitters, which we classify as a special case of a broader class of curved emitter surfaces driven by ultrashort light fields. This demonstrates both the impact of sophisticated electron detection methods and the potential of strong-field control of electrons in nanoscale geometries.
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All authors Kerstin Harland, Germann Hergert, Zsuzsanna Pápa, Xiaofei Wu, Lina Hansen, Julia Altenburg, Katrin Meier, Arvid Klösgen, Bert Hecht, Jer-Shing Huang, Péter Dombi, Jan Vogelsang

Data Analysis and Statistics · Cross-listed from eess.IV

PiMiX 2.02: Toward AI-Driven Data Fusion in Radiographic Imaging and Tomography

PiMiX (Physics-informed Meta-instrument for eXperiments) was introduced for multi-instrument, multi-experiment, and simulation-experiment data fusion in radiographic imaging and tomography (RadIT). Here we present PiMiX 2.02 as an evolving AI-enhanced cyber-physical meta-instrument integrating imaging sensors, near-sensor computing, data fusion, physics-informed inference, and human-supervised AI workflows across X-ray, neutron, and other modalities. Demonstrated capabilities include multimodal CMOS radiation imaging, simulation-assisted sub-pixel neutron localization, and edge-deployed optical-neural-network (ONN) inference; GPU and ONN implementations achieved greater than 96% precision for neutron-event detection with sub-micron localization. A further advance is human-in-the-loop agentic-AI co-analysis of X-ray and neutron images from inertial-confinement-fusion experiments. Beyond conventional preprocessing, the workflow generates competing feature hypotheses, ranks contours using physics-informed evidence, estimates confidence, and presents alternatives for human review. The same architecture adapts to different physics: X-ray analysis emphasizes dark, nonuniform ring structures using deformable closed paths and multi-scale evidence, whereas neutron analysis targets bright emission envelopes using fractional-emission levels, intensity gradients, and cross-filter persistence. We also highlight automated comparison of an as-designed stereolithography model with an X-ray CT reconstruction of an additively manufactured metal lattice. Together, these examples show progression from AI assistance in specific processing tasks to multi-task, multi-domain scientific co-analysis. PiMiX 2.0 further provides a pathway toward PRISM, a RadIT scientific foundation model, and tighter integration of diagnostics, digital representations, inference, and experimental control.
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All authors Zhehui Wang, Shanny Lin, Nicholas Amano, Ramya Gurunathan, Katie Liu, Nathan E. Peterson, Michelle A. Espy, Adam Thompson, Amy J. Clarke, Ray T. Chen

General Physics

The geometrization of electromagnetism

Previous works [1,2,3] expose a synthetic, Riemannian geometrization of electromagnetism that emerges naturally from the experimental bases provided by the Lorentz force and the Maxwell equations. Since the components of the associated space-time metric tensor depend on the four-vector velocity, Riemannian geometry does not fully describe the space-time geometry. The present work aims to provide a suitable geometrical basis for the problem, applying a pseudo-Finsler geometry – a Finsler geometry with a non-homogeneous norm.
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Fluid Dynamics · Cross-listed from cond-mat.soft

Interparticle radiation forces beyond spherical particles in a bulk acoustofluidic device

Understanding interparticle radiation forces between spherical and nonspherical particles is crucial for the trapping of micro- and nano-objects in acoustophoresis. Most theoretical and numerical models treat spherical particles as identical to estimate interparticle forces, owing to their symmetry. Here, we elucidated interparticle radiation forces between three particles with different shapes and material contrast using experimentally validated numerical models. We performed a frequency sweep of the full acoustic device, accounting for viscous effects in a two-dimensional model, to predict the system's resonance. The pressure field obtained at the resonant frequency was then fitted to a 1D sinusoidal wave and used in a three-dimensional model based on the perturbation technique and tensor integral method to calculate the interparticle forces on the particles due to scattering and re-scattering of the acoustic field. Our results revealed a shape-dependent reversal of interparticle forces, even for positive-contrast materials. We found that for spherical particles, the interparticle forces are independent of material properties when the particles are positioned on the nodal plane. However, material contrast and particle asymmetry significantly affect interparticle forces when particles are placed outside the nodal plane. Finally, we studied the effects of the orientation of the asymmetric particle placed outside the nodal plane on the interparticle radiation forces. Interestingly, for the orientation angle of 0 degrees, the interparticle force is maximum for the asymmetrical particle and then gradually decreases to zero as we increase the orientation angle to 90 degrees. The detailed analysis presented in the paper will facilitate a better understanding of shape-based acoustic manipulation of microparticles.
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Atmospheric and Oceanic Physics · Cross-listed from stat.ME

A tool for new Hybrid models: a swift algorithm to calculate the left inverse of a square root of a horizontally localized climatological ensemble covariance matrix

Computing matrix inverses (or, e.g., left inverses) using known algorithms is in general computationally prohibitive in high dimension, such as in an operational weather forecasting context. In this article, a swift, scalable algorithm to calculate the left inverse (through singular values decompositions techniques) of a square root of a horizontally localized ensemble covariance matrix is introduced. In this algorithm, calculations involving model variables located in different grid vertical columns can be performed separately. This is the aspect that makes this algorithm scalable by allowing for parallel computing. The algorithm is developed in the case when the number of ensemble members equals the number of model variables in each grid vertical column (this number is of order $10^3$ for current high-resolution models). The algorithm is tested in a synthetic experiment on a three-dimensional grid, and it is found to have very good accuracy. Additionally, a version of the algorithm outputting the left-multiplication of a generic vector by that above-mentioned left inverse is also introduced. For operational applications, if executed on a single processor, that version of the algorithm is already $9$ orders of magnitude faster than a traditional algorithm, and, with multiple, parallel processors, it scales until the number of processors reaches the order of $10^6$. In addition, an application of the algorithm is pointed out: performing the transform from model variables to an alternative set of variables, defined herein as standardized variables, being climatologically uncorrelated and each having unit climatological error variance. Furthermore, it is pointed out that the standardized variables allow constructing a new Hybrid covariance model, which is positive definite and climatologically unbiased, and it features a geographically dependent climatological error covariance matrix.
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Atomic Physics · Cross-listed from quant-ph

Effective Quantization of Lossy Nonlinear Epsilon-Near-Zero Media

In epsilon-near-zero (ENZ) materials, the vanishing real linear permittivity results in the leading-order contribution to the displacement field being nonlinear in the electric field, making conventional canonical quantization approaches highly non-trivial. Existing treatments generally quantize the linear modes first and introduce nonlinear interactions subsequently, an ordering that becomes inadequate in the ENZ regime. Here, we provide, to our knowledge, the first effective single-excitation quantization in which the near-zero linear response, leading nonlinearity, and loss jointly determine the elementary excitation. Using a solvable microscopic atomic system as a theoretical scaffold, we find that this excitation is a polariton: a dressed quasiparticle with partly field and partly material excitations whose coefficients can be parameterized by macroscopic susceptibilities. While this work considers a leading-order $\chi^{(3)}$ nonlinearity, the framework could be generalized to include other nonlinear corrections, including a controllable second-order susceptibility $\chi^{(2)}$ and systematic higher-order contributions $\chi^{(n)}$, $n>2$. Our findings pave the way toward practical applications in quantum photonics, such as single-photon non-demolition detection, by leveraging the strong nonlinearities intrinsic to zero-index materials.
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All authors Avishi Poddar, Jonas von Milczewski, Durdu O. Guney, Sahin K. Özdemir, Susanne F. Yelin

Chemical Physics · Cross-listed from cond-mat.mtrl-sci

RS-CIDER: A non-local machine learning model for approximating screened hybrid functionals

Screened hybrid functionals such as HSE06 improve the description of band gaps, charge localization, and redox energetics relative to semilocal approximations, but their explicit Hartree-Fock exchange term is computationally costly for large, periodic systems, especially in plane-wave basis set calculations. Here we present RS-CIDER, a machine-learned non-local exchange functional that approximates the short-range Hartree-Fock exchange term in HSE06 by explicitly fitting both ground-state energies and single-particle energy levels. RS-CIDER combines scale-invariant semilocal and non-local density descriptors and can be evaluated self-consistently without explicitly applying the short-range Hartree-Fock exchange operator. RS-CIDER shows close agreement with HSE06 for molecular reaction energies and solid-state band gaps. Further tests across distinct materials show agreement between RS-CIDER and HSE06 for local magnetism, Cu-O phase competition, polaron localization, and neutral-defect energetics. For an Fe olivine, chemistry-specific fine-tuning recovers the HSE06 Li intercalation voltage. A timing benchmark shows that RS-CIDER reduces the measured per-SCF-step wall time by more than an order of magnitude relative to HSE06. Together, these molecular and solid-state results establish RS-CIDER as an efficient self-consistent machine-learned surrogate for HSE06.
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All authors Zhuotao Jin, Mohamed S. Abdallah, Boris Kozinsky, Kyle Bystrom

Chemical Physics

An Exact Formulation of Phase-Space Electronic Structure Theory in One Dimension by Exploiting the Zero Curvature Condition

We show that, for the unique case of a system of electrons and nuclei in one dimension, the $\hGamma$ operator in phase space electronic structure theory has a zero non-Abelian curl. Using this fact, we are able to show that a phase space electronic structure framework in Wigner space has a one-to-one mapping to the exact fully quantum vibronic Hamiltonian. In other words, one loses no information by working within the framework of phase space electronic structure theory rather than Born-Huang theory; the only difference is that, whereas Born-Huang theory represents the total vibronic Hamiltonian as a quadratic order expansion in $\hbar$, the Hamiltonian becomes an infinite order expansion in $\hbar$ within a phase space electronic structure framework (a so-called "Generalized Born-Huang" approach). That being said, numerical results at first or second order demonstrate that, for a limited number of electronic states, phase space electronic structure theory strongly outperforms Born-Huang theory – a result that justifies a great deal more research into this novel electronic structure approach.
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All authors Zain Zaidi, Yotam M. Y. Feldman, Linqing Peng, Joseph E. Subotnik

Computational Physics · Cross-listed from cs.CE

Extreme-Scale Linear-Scaling Kohn-Sham DFT at 100 Million Atoms: Bridging Quantum Simulations and Experiments

Kohn-Sham density functional theory (DFT) remains the workhorse of ab initio materials simulation, yet cubic computational and quadratic memory scaling have confined calculations to a few hundred to thousands of atoms, spanning only nanometers, far below experimentally relevant length scales. We introduce XLSDFT, a linear-scaling DFT framework based on divide-and-conquer decomposition of the one-particle density matrix and Chebyshev-filtered subspace iteration, achieving linear computational and memory scaling while retaining DFT accuracy. Deployed on the LineShine exascale supercomputer, XLSDFT reduces computational complexity by orders of magnitude, enabling unprecedented DFT scale: a 200-million-atom silicon crystal, twentyfold beyond the prior record. Our implementation achieves 96.6% weak-scaling efficiency and sustained 157.9 Pflop/s (FP64) for a 100-million-atom scaling study. We further simulate an 11-million-atom all-solid-state battery interface of unprecedented complexity, 1,000 times beyond prior DFT for such systems, revealing how lithium metal reacts with the solid electrolyte at atomic resolution, in quantitative agreement with spectroscopy experiments.
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All authors Qimen Xu, Yu Zhang, Dixing Ni, Lei Gao, Guangnan Feng, Qinrui Zheng, Jianting Liu, Haitian Lu, Zhaopeng Jia, Wei Xue, Shriram Chandran, Torsten Hoefler, Haohuan Fu, Yutong Lu

Optics

Unified light-matter metric of molecular and nanophotonic chirality

Signatures of a material object's broken inversion symmetry within its intrinsic excitations and associated optical fields have largely evaded characterization from a perspective that evenly accounts for the inseparability between matter and field dynamics. Here, we formulate a complex-valued pseudoscalar chirality metric that is derived from the coupled electromagnetic and material governing equations, and demonstrate its resolution of the excitational chirality exhibited by the eigenmodes and eigenfields of a family of structurally chiral objects, including those with chirally connected enantiomeric states.
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Chemical Physics

Accelerating Periodic Coupled Cluster and Algebraic Diagrammatic Construction Theories With Frozen Natural Orbitals

We present a unified frozen natural orbital (FNO) framework for periodic Gaussian-orbital post-Hartree-Fock calculations with explicit k-point sampling. The approach includes conventional ground-state FNOs together with state-specific (SS-FNO) and state-averaged (SA-FNO) variants constructed from perturbative one-particle density matrices. We implement these approximations for periodic Moller-Plesset perturbation theory, algebraic diagrammatic construction, and equation-of-motion coupled cluster methods in the PySCF software package and benchmark them for correlation energies, equations of state, fundamental band gaps, and quasiparticle band structures of semiconductors and insulators. FNO truncation reproduces canonical results with small errors while substantially reducing computational cost. SS-FNO enables accurate large-basis band-gap calculations, including quadruple-zeta results, whereas SA-FNO efficiently compresses the virtual space for multi-state band-structure calculations. Combined with basis-set and thermodynamic-limit extrapolations, the framework provides a practical route to high-accuracy correlated calculations in periodic systems.
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Optics

Experimental observation of exceptional bound states in the continuum

We experimentally demonstrate second- and third-order exceptional bound states in the continuum (EP-BICs), formed by the merging of two and three symmetry-protected BICs at an exceptional point (EP). Our passive reciprocal acoustic platform consists of symmetry-protected BIC cavities coupled through an acoustic waveguide and enables independent control of intrinsic loss, radiative loss, and near-field coupling between the cavities. A nonuniformly distributed intrinsic loss provides the non-Hermiticity required for EP formation while preserving decoupling from the waveguide radiation channel. The EP-BICs are probed using both near- and far-field excitation. In the near field, local intracavity excitation directly accesses the symmetry-protected BICs and reveals their spectral evolution. For far-field excitation, we intentionally break the protecting geometrical symmetry, converting the BICs into quasi-BICs and making them accessible through transmission measurements. Extending the system to three cavities with graded intrinsic loss realizes a third-order EP-BIC and yields a larger spectral response to the implemented coupling perturbation. These results establish a passive reciprocal route to higher-order exceptional degeneracies with independent control over intrinsic loss, near-field coupling, and radiative access.
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All authors Shuang Wu, Ruizhi Dong, Nikolay Solodovchenko, Dongxing Mao, Andrey Bogdanov, Yong Li

Optics

Creation and Control of Scattering Singularities in non-Hermitian Systems

The ability to controllably manipulate non-Hermitian wave scattering environments has been used to discover exotic scattering phenomena such as scattering exceptional points and coherent perfect absorption, and create numerous applications including signal routing, filtering, imaging, sensing, wireless power transfer, etc. We introduce the concept that many of these applications and phenomena are fundamentally governed by singularities of the scattering matrix. With this understanding, our demonstrated ability to control the location of scattering singularities can be used to enhance current applications and develop new ones. In generic complex scattering systems, there is an abundance of topologically protected scattering singularities corresponding to complex zeros of various functions of the scattering matrix. We show that with just three tunable parameters we are able to create the conditions for nearly any scattering singularity at arbitrary frequencies in such systems. With five tunable parameters, we demonstrate that more complex scenarios can be accomplished, such as making disparate singularities coincident or placing singularities at different frequencies. A benefit of systems with tunable parameters is that generic complex systems can be re-purposed into exhibiting many different useful properties solely by reconfiguring their tunable parameters. A particularly interesting scattering phenomenon is coherent perfect absorption, where a specific wavefront injected into the system is completely absorbed, with no energy reflected or transmitted through any channel. After creating the conditions for this singularity at an arbitrary preselected frequency, we can find and inject the coherent perfect absorption wavefront and demonstrate output-to-input power ratios as low as 1x10^{-10}, 2x10^{-8}, and 3x10^{-8} in a quarter bowtie billiard with two, three, and four ports, respectively.
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Fluid Dynamics

How turbulent flows grow vorticity at a point

We describe how strong vorticity fluctuations appear in three-dimensional incompressible turbulence driven by a large-scale random force. By combining analytical and numerical methods, we construct a vorticity instanton: the most probable force history driving the flow to a prescribed large vorticity at a given point and time. We show how the smooth, large-scale force produces a long vortex filament with a thin, viscous-scale core. Our main finding is that the standard mechanism of amplifying a vortex tube through radial compression and axial stretching is only effective up to a threshold value. Producing vorticity above the threshold requires an additional ingredient: vorticity waves propagating along the tube. The final vorticity is the result of two colliding waves. This mechanism has striking similarities to the one recently suggested by OpenAI for creating infinite vorticity in finite-time Navier–Stokes blow-up.
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Physics and Society

Geometry of Urban Order

Urban street networks are modeled as spatial graphs whose geometry reflects planning, history, and physical constraints. Global orientation measures describe the overall order of a city but do not reveal how street directions form coherent neighborhoods. Here we introduce bearings communities—spatially connected domains whose streets share a common orientation—and analyze them using concepts from the physics of polycrystalline materials. Across $1025$ large cities worldwide, these domains are almost perfectly ordered: their mean coherence is $0.964$ and varies by only $1.4\%$ from one city to the next, far above the value expected for randomly oriented streets. Every city is therefore a mosaic of well-ordered orientational grains, differing only in their number, size, and mutual alignment. Because the grains are equally regular everywhere, a city's global order is set mainly by how many of them it averages over: a city appears ordered because it is built from a few large grains, not because its fabric is locally more regular. A null model in which grain orientations are randomized confirms this grain-counting mechanism. Finally, the interface fraction $\gamma$ measures how strongly domains interlock, yielding a morphology diagram that organizes cities continuously between grid-like, polycrystalline, and fragmented limits.
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Computational Physics

Physically Consistent 2D to 3D Pore Space Synthesis: 1. Dynamic Grain Packing Under Strict Morphology Constraints

The 3D digital reconstruction of multi-scale, heterogeneous porous media is traditionally limited by the resolution boundaries and artifacts of X-ray computed tomography (XCT). This paper introduces a physically consistent 2D to 3D pore space synthesis framework that supersedes conventional geometric shuffling with dynamic Newtonian gravitational deposition using a high-performance rigid-body mechanics engine. To honor strict physical contact mechanics, statistical 2D targets, and morphological constraints, we develop a two-stage dynamic packing pipeline that combines realistic 3D grain shapes with a virtual sub-particle insertion engine. The framework is validated against synthetic and natural core benchmarks. First, we show that our stereological integral equation systematically converts size distributions; bypassing this inversion step induces a systematic 50% deviation in permeability predictions despite identical total porosities, independently altering flow channel topology. Second, temporary virtual spheres serve as architectural placeholders to stabilize large non-equilibrium dissolution voids, ensuring the reconstructed model satisfies target flow metrics within the prescribed tolerance. Finally, when applied to a fine-grained, weakly consolidated sandstone, the workflow exposes and suppresses systematic XCT artifacts, including phantom internal porosity. Ensembles of two-point correlation functions demonstrate that the hydrodynamically and structurally synthesized digital twins quantitatively exhibit closer structural proximity to the uncorrupted rock geometry than the reference XCT dataset itself. This methodology establishes a scalable foundation for high-fidelity multi-phase rock reconstruction, with potential extensions toward complex amorphous cement phases.
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Chemical Physics

First application of the transcorrelated method to noncovalent interactions: The A24 dataset

We present the first application of transcorrelated (TC) coupled-cluster (CC) theory to noncovalent interactions within the xTC approximation. The method is assessed for the A24 dataset of hydrogen-bonded, mixed and pure dispersion bound dimers. The xTC interaction energies are computed at the CCSD, DCSD, and CCSD(T) levels in aug-cc-pVDZ (AVDZ), aug-cc-pVTZ (AVTZ) basis sets, and are compared with both canonical and explicitly correlated F12 methods. Because non-covalent interaction energies rely on delicate error cancellation between dimers and monomers, we optimize the TC Jastrow factor for each dimer, and reuse the same parameters for the corresponding monomer calculations. This shared-parameter strategy reduces stochastic optimization noise which would otherwise dominate the interaction energies. The results show that the xTC-CCSD(T)/AVTZ method performs extremely well for the hydrogen-bonded systems, with a mean-absolute error of only 0.007 kcal/mol in the interaction energies, with respect to the benchmark values generated with CCSD(T)/CBS + $\Delta$CCSDT(Q) + core corrections. For pure dispersion bound systems the errors are slightly larger (0.055 kcal/mol), leading to an overall MAE of 0.030 kcal/mol for the entire dataset. Adding a $\Delta$MP2 correction to the xTC-CCSD(T)/AVDZ brings these results close to AVTZ quality and provides a practical route toward larger noncovalent systems. A decomposition of the xTC interaction energy into a mean-field and correlation contribution shows that part of the correlation contribution is systematically shifted by the TC method to the mean-field contribution. This physically appealing feature indicates that the TC method has great potential for the quantitative description of noncovalent interactions, and opens a new route for high-accuracy quantum chemistry to be applied to systems of biological and soft-matter interest.
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All authors Johannes Hauskrecht, Stephanie Lambie, Evelin Martine Corvid Christlmaier, Thomas Schraivogel, Daniel Kats, Ali Alavi

History and Philosophy of Physics

Gauge Matters More Than Curvature

Recent orthodoxy, which we call Curvature Fundamentalism, posits that the field strength $F$ on spacetime exhausts the physically significant content of electromagnetism, at least on prosaic (contractible) spacetimes. We argue that it is gauge invariance that constrains physical significance. As a result, there are physically significant quantities that $F$ does not capture, even on contractible spacetimes. We show that this result is robust: in the presence of charged matter fields, there are interference experiments whose outcome cannot be predicted by $F$ or any other point-local gauge invariant quantities on the basis of initial Cauchy data. We prove this using the example of relative phase of a Klein-Gordon-Maxwell field, and use it to identify a context in which the widely-claimed equivalence between the Maxwell-Faraday formulation $EM_1$ and the gauge formulation $EM_2$ of electromagnetism is untenable, and that new strategies may be needed for the reductionist project.
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Medical Physics · Cross-listed from cs.CV

SV-Cine: Diagnosis-Conditioned Segmentation of Single Ventricle Physiology via Generative Data Augmentation

Single Ventricle Physiology (SVP) is a rare subtype of congenital heart disease characterized by the presence of a single functional cardiac ventricle with atypical anatomic configurations that challenge conventional image segmentation approaches. The scarcity of clinical data and the morphological diversity across SVP subtypes make the development of robust segmentation methods particularly difficult. To address these limitations, we propose a cardiac MRI segmentation framework focused on ventricular chambers and myocardium segmentation tailored for SVP. First, we introduce a data augmentation pipeline that generates synthetic 3D cardiac meshes using SDF4CHD and corresponding synthetic cardiac MRI through generative modeling. Second, we introduce SV-Cine, a diagnosis-conditioned adaptation of the foundation model CineMA that incorporates patient-level diagnostic information through Feature-wise Linear Modulation layers, enabling diagnosis-aware feature adaptation during segmentation. We evaluated the framework on an internal cohort with varying SVP subtypes. SV-Cine achieved median Dice scores of 0.89 (IQR: 0.80–0.91) for the left ventricle and 0.72 (IQR: 0.54–0.84) for the right ventricle, outperforming the strongest baseline, nnU-Net, by 0.39 Dice points on right ventricle segmentation. It also yields a median ejection fraction error of 5.55 percentage points (IQR: 3.41–7.69) for the dominant ventricle. Compared with the internal cohort, LV and myocardium segmentation performance was lower for the external cohort; whereas RV Dice scores were comparable for both cohorts. Our findings suggest that a pretrained foundation model can be adapted for highly specialized downstream tasks through usage of diagnosis priors while leveraging anatomic knowledge learned from large-scale MRI datasets during pretraining.
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Fluid Dynamics

A free-surface-only closure model for linear waves on general deep-water flows

We present a novel, spatially two-dimensional (2D) set of equations to study the propagation of linear deep-water surface waves over a general steady three-dimensional (3D) background free surface flow. No assumptions of a flat background free surface, nor of an irrotational background flow, are made. The resulting model is not only a significant theoretical simplification, but also results in orders of magnitude faster computations. The linearized Euler equations are evaluated on the free surface of the base flow, and a closure condition is proposed to account for the vertical derivatives at the free surface. This generalizes a recent result for purely rotating background flows (Zuccoli, Brambley & Barkley, 2025, arXiv:2405.12078). The final model consists of five coupled first order partial differential equations (PDEs) to be solved on the 2D free surface, involving five unknowns: the horizontal and vertical perturbation velocities; the free surface perturbation height; and unexpectedly the gradient of perturbation pressure with depth at the surface. Two test problems are used to validate the model: a uni-directional vortical depth-varying base flow with a flat free surface; and perturbations to a travelling Gerstner wave solution. Eigenvalues and eigenfunctions of the linearized Euler equations are computed and compared with those of the model. Results show remarkable agreement between the two. Our study finds for the first time, to the best of our knowledge, that sufficiently steep two-dimensional Gerstner waves are unstable.
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Biological Physics · Cross-listed from cond-mat.soft

Geometric theory of elastic curves constrained on rigid curved surfaces

Slender elastic objects constrained to curved surfaces are ubiquitous in soft systems, with examples ranging from DNA wrapping around histones to actin filaments forming contractile rings on the cell membrane during cytokinesis. In the continuum limit, the conformation of these effectively one-dimensional (1D) objects is governed by both the geometry and mechanics of the embedding surface, and the elasticity of the object. Existing phenomenological typically describe such behavior through elastic energy minimization that incorporates bending and twisting, but neglect stretching that may be important for filaments with finite cross-section or are highly incompatible with the underlying surface. Here we present a coarse-grained geometric theory of 1D elastic curves constrained on rigid surfaces, derived from the first principles. For an isotropic material, our model emerges naturally in terms of the Young's modulus, Poisson's ratio, and area moments of inertia. The resulting effective energy functional explicitly includes stretching in addition to bending and twisting. We minimize it to determine the equilibrium curve conformations on different zero, positive, or negative Gaussian rigid surfaces. Our theory provides a general framework for analyzing the equilibrium configurations of surface-bound elastic curves in biologically and physically relevant settings.
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Chemical Physics

Direct Asymmetric Photochemistry with Synthetic Chiral Light

Circularly polarized light has long been used to distinguish the two mirror images of chiral molecules. Recently, a conceptual breakthrough has predicted that a new form of optical fields - synthetic chiral light - could usher in an 'electric-dipole revolution' in chiroptical interactions. We report the first experimental evidence for this prediction in the optical domain, using a three-dimensional laser electric field synthesized to trace a chiral pattern. The ionization and fragmentation of chiral molecules was found to depend on both the molecular handedness, and the handedness and geometry of the synthetic chiral field. Supported by two theoretical models, our results demonstrate that synthetic chiral light can induce strong chiroptical interactions, opening new horizons for asymmetric photochemistry and chiral analysis.
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All authors Jason B. Greenwood, Letizia Fede, Daniel García González, Umberto Dellasette, Ross Anderson, Chris Sparling, Dave Townsend, Patricia Vindel-Zandbergen, David Ayuso, Valérie Blanchet, Bernard Pons, Andrès Ordóñez, Yann Mairesse

Chemical Physics

Topologically protected chiral sensing using Synthetic Chiral Light

Chirality underlies molecular function in living matter, yet its optical detection remains challenging because conventional chiroptical spectroscopies rely on weak corrections to the dominant electric-dipole light-matter interaction, making desired optical signals weak and fragile. Topology offers a route to robustness, enabling observables whose defining properties survive disorder and imperfections. However, experimental realization of a practical topological observable for chiral spectroscopy has remained elusive. Here we realize chiral topological light and demonstrate such an observable. A tightly focused, phase-locked, counter-rotating two-colour field encodes chirality in the three-dimensional electric-field trajectory while its dominant topological charge resides in the longitudinal electric-field component where it remains hidden from direct far-field detection. An isotropic chiral medium acts as a topological transducer, converting the latent topology of the driving field into a propagating nonlinear response whose topological charge becomes directly observable in the far field while remaining strongly suppressed in achiral media. Using randomly oriented chiral single-crystal powders, we experimentally detect the enantio-sensitive response through the topological charge of the emitted field. Directly accessible in the far field and robust against experimental imperfections, this observable allows us to track and control chiral signal on attosecond timescales through the relative phase of the driving two-colour fields. Our results establish topology as a practical resource for ultrafast chiral optical spectroscopy.
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All authors Gefei Li, Justas Terentjevas, Yong Zhang, Patricia Vindel-Zandbergen, David Ayuso, Serguei Patchkovskii, Tran Tien Dat, Junpeng Lu, Qihua Liu, Yuanjie Pan, Li Liu, Hao Teng, Zhiyi Wei, Misha Yu. Ivanov, Olga Smirnova, Pengju Zhang

Fluid Dynamics

A Variational Formulation of the MHD Induction Equation

We present a variational formulation of the induction equation in magnetohydrodynamics (MHD) based on Gauss's principle of least constraint. The central result is the Euler–Lagrange equation $\mathbf{Z}_B = -\nabla h_m$, where $h_m = \mathbf{A}\cdot\mathbf{B}$ is the magnetic helicity density. This reveals that the magnetic helicity gradient $\nabla h_m$ acts as the constraint force maintaining the solenoidality of the magnetic field, exactly as the pressure gradient $\nabla p$ maintains incompressibility in Taha et al.'s pressure-gradient minimization principle. The magnetic helicity density—which, though gauge-dependent locally, yields a gauge-invariant variational principle—naturally emerges as the Lagrange multiplier enforcing $\nabla\cdot\mathbf{B}=0$. At the solution, the field minimizes the norm of the magnetic helicity gradient $\|\nabla h_m\|^2$. This establishes a structural analogy: magnetic helicity is to the magnetic field as pressure is to velocity. The variational principle connects to Woltjer's theorem, Taylor relaxation, and the Hamiltonian structure of MHD.
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Biological Physics · Cross-listed from cond-mat.soft

NEMO: A Framework for Nematic and Morphological Analysis of Curved and Multi-layered Biological Surfaces

Across biological scales, from cytoskeletal networks to whole tissues, orientational order and topological defects arise within complex three-dimensional geometries. However, quantifying nematic order orientational order with head-to-tail symmetry remains challenging: 2D projections introduce geometric distortions, while current 3D methods often struggle to resolve distinct nematic fields within curved or multilayer structures. Here, we introduce NEMO, a modular Python framework for the depth-resolved quantification of tangential nematic order and surface morphology. By reconstructing biological surfaces as triangulated meshes, NEMO projects curved intensity layers, extracts local nematic directors, and computes locally averaged nematic tensors within the tangent plane. The pipeline identifies topological defects and computes their topological charge by accounting for the Gaussian curvature of the underlying surface. Furthermore, NEMO quantifies tissue morphology through inter-surface distance and surface-fitted estimates of Gaussian and mean curvatures. We show the capacities of this framework using a synthetic nematic film on a vesicle and experimental actin organisation in Hydra. By combining customisable projections with surface-constrained analysis, NEMO provides a unified framework for quantifying the interplay between orientational order and geometry across scales.
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All authors Konstantinos Andreadis, Oriol Mañé-Benach, Claire A. Dessalles, Lodovico Mazzei, Aurélien Roux, Guillaume Salbreux