Fluid Dynamics
Assessment of Numerical Lift Coefficient Data for a Circular Cylinder with Application to Bladeless Turbines
L. Ridgway Scott and Henry von Wahl
We assess computed lift coefficient data for flow past a circular cylinder to evaluate their suitability for practical applications. Specifically, we consider lift coefficient data for a circular cylinder over Reynolds numbers from 120 to 8000. The results are obtained from two-dimensional finite element simulations of the incompressible Navier-Stokes equations using pressure robust discretizations. We compare the computed lift coefficients with published experimental and numerical results, finding good agreement in some cases but significant disagreement in others. Because lift fluctuations are central to
vortex-induced vibration concepts, these data therefore provide input for the analysis and preliminary design of bladeless turbines.
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Chemical Physics · Cross-listed from cond-mat.soft
Optimizing diffusion-limited transport, with applications to electrochemical systems
Manu Mannattil and L. Mahadevan
Transport in certain systems fails when
diffusion cannot replenish or remove material from a boundary rapidly enough, causing the boundary concentration to reach a critical minimum or maximum. Motivated by experiments in electrochemical systems that demonstrate this
diffusion-limited failure of charge transport, we determine dynamic current protocols that maximize charge transfer subject to a prescribed concentration constraint. The optimal protocol has a "bang-ride" structure: the maximum feasible current is used until the boundary concentration reaches its critical value, after which the current is progressively reduced to maintain that value. For semi-infinite domains, we derive the optimal currents analytically and obtain system-independent upper bounds on their improvement over constant-current operation. We also extend the framework to finite and multilayer domains and show that the same formulation applies to both charging and discharging.
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Atmospheric and Oceanic Physics
A Checklist to assess the energy and carbon impacts of ML/AI applications in Earth System Modeling
Filippo Dainelli, Amirpasha Mozaffari, Marina Castaño et al. (+5 more)
As machine learning and artificial intelligence find their way into nearly every aspect of
climate, weather, and Earth system modeling, it is worth pausing to consider what our design decisions imply for the science and for the computational resources we consume. A growing body of literature addresses the ethical and sustainable development of ML/AI, yet translating these principles into day-to-day research practice remains a challenge as most of best practices are dispersed across multiple studies and commentaries. Here, we distill these discussions into a practical checklist that ML/AI and Earth system science practitioners can use to assess and reduce the environmental footprint of their own applications, organised around the successive stages of the model development pipeline. We complement the checklist with a selection of metrics drawn from the literature for estimating the energy consumption and carbon footprint of a project. For each question, we point to concrete examples and actionable suggestions from recent literature, aiming to bridge the gap between aspirational principles and the decisions researchers face at every stage of the development cycle.
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All authors Filippo Dainelli, Amirpasha Mozaffari, Marina Castaño, Aina Gaya i Àvila, Lluís Palma Garcia, Alessio Melli, Oscar Dimdore Miles, Amanda Duarte
Geophysics
A Frequency-Aware Dynamic Knowledge Distillation Framework: An Effective Tool for Bridging Low- and High-Frequency Seismic Information
Jun Ma, Xinyang Wang and Xintong Dong
Seismic data contain rich information across different frequency bands, with low-frequency components primarily characterizing large-scale geological structures and high-frequency components preserving fine-scale seismic details. Effectively integrating these frequency-dependent components is essential for seismic feature learning to better preserve structural continuity and fine-scale details. Knowledge
distillation provides an effective means for transferring informative representations from high-quality data. However, existing
distillation-based frameworks usually treat seismic features in a full-band manner, ignoring relationships across frequency bands and thereby limiting the coordinated transfer of low- and high-frequency knowledge. To bridge low- and high-frequency seismic features through knowledge
distillation, we propose a frequency-aware dynamic knowledge
distillation framework (FADKD-Net), which establishes a teacher-student learning framework and performs frequency-aware knowledge transfer between low- and high-frequency bands. Specifically, FADKD-Net decomposes seismic features into low- and high-frequency components and performs targeted
distillation to exploit their complementary information. Low-frequency
distillation guides the student model to learn stable structural priors, thereby improving the overall continuity of seismic events. Meanwhile, high-frequency
distillation enhances detailed feature modeling and improves the representational capability for complex and small-scale structures. Furthermore, a cross-domain feature
alignment strategy is proposed to reduce distributional discrepancies across different surveys and enhance the transferability of the seismic representations learned by FADKD-Net.
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Biological Physics · Cross-listed from q-bio.NC
Temporally constraining source imaging estimates in an underdetermined neural system with eigenmodes of cortical geometry
Pok Him Siu, Philippa J. Karoly, Artemio Soto-Breceda et al. (+2 more)
Geometric eigenmodes provide a compact and biologically grounded representation of large-scale neural activity. Previous work demonstrated that they can mitigate the underdetermined nature of electroencephalographic (
EEG) and magnetoencephalographic (MEG) source localisation, an ill-posed inverse problem in which neural activity is reconstructed from non-invasive recordings. Beyond their spatial structure, neural field theory predicts the temporal
evolution of eigenmodes through analytically derived transfer functions. Motivated by this framework, the present work investigates whether these transfer functions can be used to introduce temporal constraints into
EEG source imaging. The approach is evaluated using simulated seizure dynamics generated by coupled Epileptor neural mass models. Transfer functions derived directly from neural field theory were found to be generally ineffective as temporal constraints for source localisation, primarily because they neglect cross-eigenmode coupling. Incorporating empirically estimated coupling terms substantially improves localisation performance, particularly in noisy conditions. Although estimating these eigenmode coupling interactions from experimental data remains challenging, the findings motivate dynamical source imaging approaches that combine spatial eigenmode structure with empirically informed cross-modal dynamics.
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All authors Pok Him Siu, Philippa J. Karoly, Artemio Soto-Breceda, Mark J. Cook, David B. Grayden
Instrumentation and Detectors · Cross-listed from quant-ph
Superconducting Flux Memory for Cryogenic Applications
Gregory R. Boyd, Jeremy Clark, Mark Covington et al. (+15 more)
We report the development of flux
memory for use with superconducting
circuits. This technology stores persistent currents in superconducting loops on-chip to be used to provide flux biasing for superconducting
circuits, like
qubits. We developed three types of flux
memory and draw comparisons among them for
circuit design. We demonstrate the utility of flux
memory by using an in-situ flux detector and characterize each approach and further demonstrate that once flux is set in a
memory cell, benchtop DC control sources can be powered off, leaving the on-chip flux bias in place. We propose that flux
memory can be arranged in a two-dimensional configuration to multiplex control signals and reduce how line counts scale (N^2 devices -> 2N control lines), and our experimental results pave the path to the proposed scalability. We demonstrate the use of flux
memory to flux bias a transmon
qubit and show the tunability of the
qubit state to a target frequency which remained stable on-chip for 20 hours.
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All authors Gregory R. Boyd, Jeremy Clark, Mark Covington, David G. Ferguson, Aref Fouladi, Keith D. Hillaire, Moe Khalil, John McFarland, Aaron Pesetski, Anthony J. Przybysz, John X. Przybysz, Sambarta Rakshit, Aruna N. Ramanayaka, Brian Sears, Robert Smith, Colin Stack, Robert M. Young, Tony X. Zhou
Optics
Photonic magnetism and altermagnetism without magnetic materials
Tiancheng Zhang, Lijie Li, Zhuo Liu et al. (+7 more)
Magnetism, a fundamental property of solids arising from the collective
alignment of electronic
spins of
magnetic atoms, has recently been expanded by the discovery of altermagnetism, a
symmetry-driven phase distinct from both ferromagnetism and antiferromagnetism. Initial efforts to emulate altermagnetism in photonic systems are also being pursued, primarily through the magneto-optic response of materials; however, their intrinsic frequency limitations pose challenges for extending photonic altermagnetism into the optical regime, thereby restricting their material choices and optical applications. Here, we establish a microscopic framework of photonic magnetism through group theory
symmetry analysis, defining photonic counterparts of electron
spin and
magnetic atoms. This approach enables the realization of photonic
ferromagnetic,
antiferromagnetic, and altermagnetic phases within structured optical
lattices constructed by purely dielectric, nonmagnetic materials, which not only broadens the photonic magnetism concept, but also lifts the material and frequency limitations. Analytical models, numerical simulations, and experimental measurements reveal
spin-momentum locking directly corresponding to their electronic analogs, showing d-, g-, and i-wave circular dichroism (CD) splitting bands at telecom wavelengths (around 1550 nm). These results demonstrate that altermagnetic order, and magnetism more broadly, can be reconstructed in photonic systems through
symmetry and mode coupling alone, opening a new route towards
spin-dependent light control and bosonic analogs of
quantum magnetic phenomena in dielectric photonic
crystals.
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All authors Tiancheng Zhang, Lijie Li, Zhuo Liu, Li Lei, Yi Li, Fanhao Meng, Changhao Ding, Moses C. Hong, Scott Dhuey, Jie Yao
Fluid Dynamics
Scaling of boundary-layer disturbances exposed to free-stream turbulence
Pierre Ricco
We present theoretical results related to the experimental findings of Matsubara and Alfredsson (2001) on the scaling of the energy spectra of the Klebanoff modes, i.e. streamwise-elongated vortical disturbances generated by free-stream
turbulence in a flat-plate transitional boundary layer. The scaling is explained by a model that describes the streamwise
evolution of the streamwise and spanwise energy spectra. The theoretical framework is based on the quasi-steady asymptotic solution of the boundary-region equations, on an axial-symmetric model of the free-stream spectrum, and on the spectral response of the boundary layer to the external perturbations.
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Physics and Society · Cross-listed from q-bio.QM
Efficiently classifying shocks in complex systems requires dormant reporters
David A. Brewster and Philippe Cluzel
Many natural and engineered systems are large complex networks of interacting components, and external perturbations drive them along different dynamical paths. Identifying which perturbation occurred matters for diagnosis, control, and prediction. Yet often times only a few components can be jointly monitored. Which components should be monitored? Experimental practice usually favors placing reporters at the most sensitive sites, where perturbations produce the largest effects. Using a simple dynamical model for complex systems with heterogeneous connectivity, we ask how sparse reporter panels should be chosen to classify shocks from partial trajectories when repeated trials only approximately reproduce an ideal initial condition. Once that reproduction is imperfect, sensitivity ranked panels fall far short of optimal, and the shortfall grows with the noise. We find that the best panels mix two kinds of reporters. A promiscuous reporter responds to most shocks, so it separates them mainly by degree, and degree fluctuates from trial to trial. A dormant reporter responds to only a few shocks but strongly, and its answers do not scatter as much between trials. As noise grows, the cost of losing a dormant reporter rises to meet the cost of losing a promiscuous one. Panels of either kind alone classify worse than the mixture, and no property of the members collected individually explains the ordering. Most of all, we find that only a minuscule number of reporters are needed on a panel to accurately identify which shock hit the system. We implement an efficient
algorithm to assemble such a panel. Together these results provide a low cost practical design principle for monitoring large complex dynamical systems.
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Chemical Physics
Diagnosing Latent Energy Decomposition in Machine-Learning Interatomic Potentials via Interacting Quantum Atoms
Kohei Shimamura and Ken-ichi Nomura
Machine-learning interatomic potentials (MLIPs) can reproduce potential energies and forces accurately, but their internal energy allocation is often difficult to interpret. E3D-IQA is introduced as a diagnostic framework connecting the latent edge-energy representation of an Allegro-type MLIP with Interacting
Quantum Atoms (IQA) energy decomposition. The Allegro edge-energy path is retained as a latent pair contribution, while a node-energy path is trained against the IQA intra-atomic energy. IQA interatomic energies are not direct training targets; instead, the learned edge energies are evaluated after training against the IQA pair terms. Tests on H/C/N/O organic reaction structures show that intra-atomic supervision is essential: energy and force training alone does not recover an IQA-like one-body/two-body allocation. With intra-atomic supervision, node energies reproduce IQA intra-atomic terms, and latent edge energies show meaningful correspondence with IQA interatomic terms. Residual errors are concentrated in positive or weak pair interactions, exposing internal allocation failures that remain hidden in total-energy and force metrics. Adding structures labeled only with energies and forces improves transfer to larger molecules and reduces decomposition errors. E3D-IQA therefore provides a route for diagnosing and guiding latent scientific representations using partially labeled
quantum-chemical
datasets.
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Chemical Physics · Cross-listed from cs.CV
Separating perception from reasoning in vision-language models: a model-free render ceiling for crystal structures
Can Polat, Mustafa Kurban, Erchin Serpedin et al. (+1 more)
Multimodal evaluations cannot say whether a
vision-
language model misread an image or misreasoned about it, because every existing method for separating the two places a second model in the loop. We introduce the render ceiling, a model-free reference for
benchmarks built by rendering known objects: inverting the frozen cameras and re-solving cross-view correspondence recovers exactly the answer the images support. We prove the ceiling fails only through an enumerable set of projection coincidences and certify that set empty on 2,160 rendered
crystal structures, so every point of a model's deficit belongs to the model. Across fourteen
vision-
language models, supplying exact geometry as text lifts every model yet closes under half the gap for thirteen, while a supervised
vision model with no
language component reads the same images at 0.8952, above every
vision-
language model. The instrument exposes extraction-stage fabrication that downstream accuracy would misattribute to
reasoning, yields camera-placement rules for
benchmark builders, and transfers to any
benchmark with an invertible forward rendering.
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All authors Can Polat, Mustafa Kurban, Erchin Serpedin, Hasan Kurban
Fluid Dynamics · Cross-listed from cond-mat.soft
A deviatoric-stress closure for constitutive modeling of viscoelastic dynamics
Souta Miyamoto, Shotaro Moro, Takeshi Sato et al. (+4 more)
Standard rheological measurements yield only selected stress components; thus, inferring tensorial constitutive equations from experimentally accessible observables is complicated. We propose a constitutive formulation written in terms of a deviatoric stress tensor, whose trace is zero, rather than the extra stress tensor. From rheometric data including shear stress, first and second normal stress differences under shear, and elongational stress under uniaxial elongation, we can construct a deviatoric stress state without the indeterminate isotropic stress. The deviatoric-stress dynamics is represented by a closure inferred through symbolic regression, constrained to satisfy material objectivity and a given linear Maxwell response. To demonstrate the proposed formulation, two closures inferred from stress responses of the Giesekus and Larson models successfully captured untrained transient-flow responses under planar elongation and mixed shear/uniaxial elongations at deformation rates around an inverse relaxation time. Steady rheological functions of the closures agreed with the original models in the linear-response regime and over a deformation-rate range connected to the training data, whereas deviations and divergent responses appeared at larger deformation rates outside the training regime. These results demonstrate that the proposed deviatoric-stress formulation provides a practical route for constitutive modeling of observable linear and nonlinear viscoelastic dynamics, while clarifying its range of validity under strong deformation.
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All authors Souta Miyamoto, Shotaro Moro, Takeshi Sato, Shota Kato, Katsuaki Tanabe, John J. Molina, Takashi Taniguchi
Optics
Dual-polarized, mid-infrared nonreciprocal absorption
Simo Pajovic, Yiting Zhao, Yae-Chan Lim et al. (+2 more)
The emission and absorption of thermal radiation are usually coupled via Kirchhoff's law or reciprocity, stated as the equality of spectral directional emissivity and absorptivity. Magneto-optical materials have recently been identified as a promising route to lifting the constraint of reciprocity, with multiple experimental demonstrations using doped InAs. However, these demonstrations have been limited to p-polarized light in the Voigt configuration, whereas thermal radiation from a blackbody is unpolarized. Therefore, to break reciprocity in both polarization channels, we design a nanophotonic, dual-polarized nonreciprocal absorber operating in the mid-infrared spectral range (11-20 $\unicode{x03BC}$m), consisting of an a-Si photonic
crystal slab on top of a doped InAs substrate described by an antisymmetric, nonreciprocal dielectric tensor under an applied
magnetic field. The photonic
crystal slab supports eigenmodes that couple to both s- and p-polarized light, resulting in absorption peaks that frequency shift in opposite directions for forward- and backward-propagating light$\unicode{x2014}$a signature of nonreciprocity in planar, subwavelength systems. We fabricate our design, then measure its room-temperature absorptance using
magnetic-field-integrated absorptance spectroscopy, experimentally demonstrating nonreciprocal absorption for both polarizations. Our design is a step toward the complete control of light as heat, which could improve photonic energy conversion, thermal management, and mid-infrared optical isolation and circulation.
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All authors Simo Pajovic, Yiting Zhao, Yae-Chan Lim, Ruzan Sokhoyan, Harry A. Atwater
Plasma Physics
Dynamic Alignment or Angular Persistence?
Amir Jafari
Dynamic
alignment in magnetohydrodynamic
turbulence is commonly inferred from the decrease of an amplitude-weighted average of the mutual angle between Elsässer increments toward smaller separations. That decrease, however, need not imply that the increments themselves rotate toward
alignment: large-angle fluctuations can simply lose more amplitude than small-angle ones. We therefore study the joint
evolution of increment amplitude and mutual angle using finite-step conditional transition probabilities. In forced incompressible full MHD and in balanced strong-guide-field reduced MHD, we find that, at fixed initial angle, large-amplitude Elsässer-increment pairs undergo smaller angular changes than small-amplitude pairs, including when they begin at large angles. We call this amplitude-dependent angular persistence. Independently, normalized amplitude moments increase toward smaller separation, while stronger amplitude weighting produces progressively smaller angular averages and stronger scale dependence, linking apparent
alignment to the intermittent large-amplitude tail. In RMHD, a source-state decomposition of the Politano-Pouquet third-order moment shows that initially large-angle, high-amplitude populations contribute with the sign associated with transfer toward smaller perpendicular scales despite their comparatively small angular changes. Time-resolved full-MHD data reproduce the same amplitude ordering, and the local Elsässer advective term closely tracks the conditional dependence of both angular and amplitude changes on the initial state. These results show that the conventional dynamic-
alignment diagnostic reflects the joint statistical
evolution of amplitude and angle and, by itself, is not evidence for a population-wide dynamical rotation toward
alignment.
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Chemical Physics · Cross-listed from cond-mat.mtrl-sci
GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and Excitons
Soohaeng Yoo Willow, Gi Beom Sim, Tae Hyeon Park et al. (+6 more)
The electron self-energy is central to quasiparticle theory, yet how an optical cavity enters it remains unclear. We address this question for a molecule in a single-mode cavity using the dipole-gauge Pauli-Fierz
Hamiltonian and a coherent-state QED Hartree-Fock reference. The cavity enters through three channels: the static dipole self-energy (DSE) shift of reference orbital energies, direct DSE augmentation of the screened interaction, and the polariton pole carrying the bilinear electron-
photon coupling. We
benchmark QED-$GW$ ionization potentials (IPs) and electron affinities (EAs) against a cavity $\Delta$-method ladder from QED-HF to correlated wave-function methods, whose cavity-induced shifts agree within 1 meV where directly comparable. For closed-shell molecules with unbound anions, $GW$ systematically overestimates cavity-induced IP
redshifts, whereas EA shifts are reproduced nearly quantitatively, although this does not imply comparable accuracy for absolute EAs. For ionic molecules with bound anions, this ordering reverses, consistent with published QED coupled-cluster results. Coupling and detuning scans show that the error is predominantly quadratic in $\lambda$ and DSE-driven rather than resonant. The spectral function develops a polariton-replica photoemission sideband with weight scaling as $\lambda^2$. In the static screened interaction used in the Bethe-Salpeter equation, bare-
photon exchange cancels the matching DSE contribution to the direct interaction, while exchange and polariton-screening corrections remain. Their net effect on the lowest excitation is appreciable only for ammonia in the molecules studied.
Exciton-binding energies involving unbound anions are strongly basis-dependent and should therefore be viewed as diagnostics of electron-hole interactions rather than basis-converged molecular quantities.
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All authors Soohaeng Yoo Willow, Gi Beom Sim, Tae Hyeon Park, Tae In Kim, D. ChangMo Yang, Mikuláš Matoušek, Jiří Brabec, Libor Veis, Chang Woo Myung
Biological Physics
Mudskippers use tail thrusting to help crutching to move on mud of various wetness
Divya Ramesh, Gargi Sadalgekar, Jiangqi Tan et al. (+1 more)
At the water-land interface, amphibious fishes encounter wet flowable substrates made of granular solid-water mixtures, which can stay solid or flow like a fluid. As these substrates become wetter or drier, their yield strength (at which solid-fluid transition occurs) and cohesion (how sticky they are) both change, challenging locomotion. Despite substantial understanding of tetrapod locomotion on flowable substrates (mostly dry sand), we know little about how amphibious fishes cope with wet flowable substrates of various wetness. Here, we studied mudskippers on clay mud of controlled, variable wetness over the range where solid-fluid transition occurs. As mud became wetter, its strength decreased by 100-fold, leading the animal to sink deeper, with larger areas of body and fins contacting mud. By contrast, mud stuck most easily at intermediate wetness. The increased sinkage and contact and stickiness change caused more mud to stick to and pull against the animal on wetter mud. We also tested dry mud, which stuck to animal fins as its mucus dried. Despite these challenges, the mudskipper predominately used a conserved crutching gait on all except the wettest mud tested, with a modest performance reduction. When normal crutching became less effective, the animal assisted it with tail thrusting, by bending and straightening it to push downward and backward to generate additional thrust and lift, or even thrusting the tail to jump. These observations suggest that mudskipper's crutching motor program is well adapted to its native muddy substrates but inflexible, with most novelty in tail use.
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All authors Divya Ramesh, Gargi Sadalgekar, Jiangqi Tan, Chen Li
Biological Physics
Importance and methods to control, vary, and characterize mud strength for studying locomotion
Divya Ramesh, Gargi Sadalgekar, Qiyuan Fu et al. (+3 more)
Animals and
robots encounter mud at the water-land interface. Like sand, mud can stay solid or flow like a fluid. Unlike sand, the yield strength of mud at which solid-fluid transitions occur depends on not only the amount of solid relative to fluid (water in mud, air in dry sand), but also how much coarse grains and fine clay are within the solid. Despite understanding of locomotion on/within dry sand dominated by coarse grains with repulsive normal forces and friction, little is known for mud dominated by fine clay with strong cohesion. Here, we developed methods to prepare uniform mud of controlled, variable yield strength and characterize and track its drift from water evaporation. Compared to other flowable substrates, mud strength measured by upward force during penetration is weaker and can vary more, and mud sticks more during extraction to pull downward, making it more challenging for locomotion.
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All authors Divya Ramesh, Gargi Sadalgekar, Qiyuan Fu, Zachary Souders, Jack Rao, Chen Li
Atmospheric and Oceanic Physics · Cross-listed from cs.LG
GenONet: A Generative operator Network for High-Resolution Precipitation Nowcasting
Mohammad Kian Golkar, Luciano Alves de Oliveira and Mohammad Khanjani
High-resolution precipitation nowcasting is critical for reducing the impacts of severe weather but remains difficult because of rapid storm
evolution. Deep learning models have shown great promise for this task, but their predictive skill often deteriorates over longer forecast horizons. This leads to increasingly blurry forecasts that fail to capture the complex, non-linear
evolution of storm systems. In order to address these limitations, we introduce Spatio-Temporal U-DeepONet (GenONet), a novel architecture for long-range precipitation
forecasting up to 3 hours, specifically designed to produce sharp and physically consistent results. GenONet's architecture pioneers the use of a Deep Operator Network (DeepONet) as a generator within a Generative
Adversarial Network (GAN) framework for this task. The DeepONet learns the continuous-time dynamics of precipitation, ensuring stability over long forecast horizons. Adversial training against a spatio-temporal discriminator compels the model to produce sharp, coherent forecasts, while a physics-informed loss regularizer, derived from the Moisture Conservation Equation, improves physical plausibility in our ablation setting. Quantitative evaluations show that our model achieves consistently higher scores on most of the metrics, especially for highintensity events and at longer lead times. Qualitatively, GenONet produces structurally coherent forecasts that maintain their integrity, whereas baseline models degrade into indistinct patterns. Finally, an ablation study confirms the benefit of this physics-informed loss, highlighting the strength of combining operator learning with
adversarial training.
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Fluid Dynamics
Spectral element lattice Boltzmann method for non-ideal gases with partial wetting boundary condition
Chunheng Zhao, Saumil Patel and Taehun Lee
We present a spectral element
lattice Boltzmann method (LBM) for partial wetting on curved geometries. A non-ideal gas phase-field model is incorporated into the LBM framework to enable phase separation with a constant interface thickness and the potential form of surface tension force is used. We adopt the force-splitting approach, yielding significantly improved stability and accuracy. Complex boundaries are naturally handled using a flux bounce-back scheme, which resolves inconsistencies in normal vectors across adjacent elements. Additionally, a general wetting boundary condition is implemented to capture static contact line in a thermodynamically consistent manner. The method is validated through simulations of droplets on flat surfaces, 2/3-dimensional curved surfaces, and
equilibrium droplets without boundaries. Results demonstrate that parasitic currents are significantly reduced on unstructured meshes with complex geometries, reaching residual kinetic energy levels on the order of $10^{-24}$ for wetting configurations and $10^{-30}$ for isolated droplets.
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Fluid Dynamics
Is No-Slip Necessary for Vorticity Generation and Shedding over a Circular Cylinder?
Kourosh Jafari Ghalejooghi and Haithem E. Taha
It is traditionally believed that the no-slip boundary condition is necessary for vorticity generation, as might be implied by the Lighthill vorticity generation mechanism. However, the investigations of Morton (1984) and Terrington et al. (2020) assert that the vorticity-generation mechanism is independent of the no-slip boundary condition. To investigate this hypothesis, we simulate viscous flow over a circular cylinder in the laminar periodic von Kármán
vortex-shedding regime at Re = 170, without enforcing the no-slip condition at the wall. Instead, we close the wall tangential velocity and its normal derivative using one-sided finite-difference approximations. Accordingly, the wall tangential velocity is dynamically determined from the evolving interior solution rather than prescribed. The resulting flows exhibit qualitatively similar patterns of periodic
vortex shedding across all three wall treatments (no-slip, second- and third-order one-sided approximations), although the mean drag coefficient, r.m.s. lift coefficient, and Strouhal number differ from those of the standard no-slip simulation. More significantly, the velocity distributions just outside the boundary layer closely match those of the standard no-slip simulation, regardless of the approximation order. In particular, the circulation evaluated along a contour at the edge of the boundary layer, which corresponds to the total vorticity contained within the layer in the no-slip case, is found to be remarkably insensitive to the wall treatment. These results suggest that the no-slip condition is not necessary for vorticity generation or periodic shedding. However, it may still be required for accurate quantitative prediction of the integral flow quantities and shedding dynamics.
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Chemical Physics · Cross-listed from cs.LG
Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials
Pingbing Ming and Han Wang
We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.
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Classical Physics
Some explorations of Kirchhoff dynamics
O. W. Oguns and J. A. Hanna
The classical problem of a rigid body in an ideal fluid is a six-dimensional dynamical system with three conserved quantities. Despite its long history and its importance as a reduced model of many fluid-structure problems, basic questions remain, including the shapes and connectivities of the three-dimensional submanifolds of solutions, and the nature of chaotic motions on these. We explore the problem with a particular ellipsoidal body, beginning with integrable motions— steady linear translation and rotation and periodic planar tumbling and fluttering. The stability of these states depends on the relative magnitudes of linear and angular momentum or energy. Linear stability, including Floquet, analysis of lower-dimensional perturbed systems is consistent with direct integration of the full system. We document instabilities leading to a variety of regular and chaotic motions, including flipping and twirling, whose trajectories appear to follow paths near connections between the integrable states. Such indirect observation of these connections provides insight into the structure underlying the rich dynamics of this simple system. For the submanifold where linear and angular momentum are perpendicular, we further examine how solutions fit together to fill momentum space in different zones of stability of the integrable states, and thereby uncover additional bifurcations in connectivity and what appear to be new integrable solutions.
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