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Saturday 25 October

Fluid Dynamics

Aeroelastic Reduced-Order Model Differential Equations in Transonic Buffeting Flow

Numerical simulation of the transonic shock buffet phenomenon remains a formidable challenge due to its inherent nonlinear and unsteady characteristics. These difficulties are further compounded in three-dimensional configurations and when aeroelastic coupling is considered. Consequently, computational studies of aeroelastic shock buffet interactions have largely been confined to two-dimensional systems. This limitation underscores the need for reduced-order models (ROMs) capable of efficiently and accurately capturing the aeroelastic response of structures subjected to shock buffet oscillations. This paper presents a novel nonlinear unsteady aerodynamic ROM that integrates nonlinear oscillator dynamics with Volterra theory to model aeroelastic shock buffet phenomena. The coefficients and terms of the resulting Integro-Differential Equation ROM (IDE-ROM) are identified using the Orthogonal Matching Pursuit (OMP) algorithm. Application of the IDE-ROM to an OAT15A airfoil demonstrates that the compact and computationally efficient formulation can reproduce key nonlinear behaviors, including aeroelastic lock-in, with a high degree of accuracy. The limitations and potential extensions of the proposed approach are also critically examined.
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Plasma Physics · Cross-listed from cond-mat.stat-mech

Revealing Liquid-Gas Transitions with Finite-Size Scaling in Confined Systems

The application of an external field often renders empirical criteria for identifying liquid-gas phase transitions ambiguous. Here, we demonstrate that the finite-size scaling of the density profile provides a definitive criterion to distinguish liquid-gas coexistence from a single fluid phase in field-confined systems. Our scaling method collapses the density profiles of different system sizes onto a single master curve for a one-phase system, while causing the profiles to intersect at the interface in a two-phase system. We validate this theoretical proposal through experiments and simulations of two model systems: colloidal suspensions under gravity and/or two-dimensional complex plasmas confined by a central potential. Our method is broadly applicable for detecting liquid-gas phase transitions in laboratory systems where external fields are inherent.
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All authors Chong Zha, Yanshuang Chen, Cheng-Ran Du, Peng Tan, Yuliang Jin

Atomic Physics

Direct Measurement of the $5s5p\,{}^1P_1 \to 5s4d\,{}^1D_2$ Decay Rate in Strontium

We report the first direct experimental determination of the branching ratio of the $5s4d\,{}^1D_2 \to 5s5p\,{}^3P_2$ transition and the decay rate of the $5s5p\,{}^1P_1 \to 5s4d\,{}^1D_2$ transition in neutral strontium. For more than four decades, these quantities lacked an experimental determination independent of theoretical input. We measure the branching ratio to be $0.177(4)$, significantly lower than the widely cited theoretical value of $0.322$ [C. W. Bauschlicher Jr. et al., J. Phys. B 18, 1523 (1985)]. We also determine the decay rate to be $5.3(5)\times10^3\,\mathrm{s^{-1}}$, consistent with the value reported by Hunter [L. R. Hunter et al., Phys. Rev. Lett. 56, 823 (1986)] but substantially lower than the recent theoretical prediction of $9.25(40)\times10^3\,\mathrm{s^{-1}}$ [A. Cooper et al., Phys. Rev. X 8, 041055 (2018)]. These measurements provide an experimental benchmark for quantitative modeling of loss processes in laser cooling and single-atom fluorescence detection in optical tweezers with Sr.
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Fluid Dynamics

Electrokinetic Effects on Flow and Ion Transport in Charge-Patterned Corrugated Nanochannels

The phase offset between surface charge modulation and geometric undulations in a corrugated nanochannel provides a tunable mechanism for rectified, diode-like ion transport under purely pressure-driven conditions: reversing the applied pressure gradient selectively activates transport of opposite ionic species, generating a net ionic current whose sign and magnitude are set by the charge-geometry alignment. Fully coupled Poisson-Nernst-Planck-Stokes simulations reveal the underlying two-regime structure: at low driving force (Regime I), throughput is suppressed below the Poiseuille limit by a localized streaming potential that pins counterions within the electric double layer; above a threshold pressure (Regime II), the mechanical force overcomes electrostatic resistance, producing an abrupt, orders-of-magnitude rise in mean velocity. Electroosmotically driven flow undergoes a qualitatively similar but smoother transition. Peak charge selectivity is achieved at near-complete electric double layer overlap and driving forces just below the Regime I-Regime II transition. Random walk particle tracking confirms selective rectification and quantifies the dependence of ion dispersion on surface charge placement across both regimes.
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All authors Thomas Petersen, Pouya Golchin, Jinwoo Im, Felipe P. J. de Barros

Optics

Interpretable Geometry Sensitivity for Inverse Design of Integrated Photonics

As an increasingly powerful technique in integrated photonics, inverse design uses optimization algorithms to automatically create compact, high-performance photonic structures, often yielding non-intuitive layouts far more compact than conventional designs. While adjoint-based inverse design is a prominent optimization method, the resulting free-form layouts are difficult to interpret or diagnose under fabrication variability, even for experienced photonic device designers. We present an experimentally validated interpretability workflow that produces pixel-level sensitivity maps directly on the binary mask of an inverse-designed device. Using wavelength-division demultiplexers (WDMs) at 1310/1550 nm as examples, we train a lightweight convolutional surrogate to regress figures of merit (FoMs) and apply Integrated Gradients (IG) to attribute predicted transmission to individual pixels. We demonstrate that high-attribution hotspots correspond to physically meaningful substructures, such as splitter hubs and high-curvature edges. Experimental results show that controlled perturbations in these high-sensitivity regions result in up to an 11x higher excess insertion loss compared to perturbations in non-sensitive regions, consistent with full-wave simulations. This approach adds a practical explainability layer to existing pipelines, offering a clear pathway for foundry-compatible design-rule checking and fabrication-aware constraint allocation without modifying the underlying electromagnetic solver.
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All authors Junho Park, Taehan Kim, Mohammad Ali, Di Liang

Optics

Turbulence Impacted Wavefront Corrections Using Beam Modulation Technique

New experimental technique have been proposed to discuss the turbulence impact reduction using beam shaping technique. In first phase of experiments, turbulence Impacted Vortex beam shaping technique has been introduced for a propagating beam which is effected by Kolmogorov type lab based turbulence simulator using Pseudo Random Phase Plate (PRPP). The new technique is executed with a spatially filtered collimated Gaussian beam that is propagated through computer controlled rotating PRPP to introduce the lab based turbulence on the beam profile. The turbulence impacted beam is then propagated through Vortex Phase Plate (VPP) to shape that beam into different topological charged Laguerre Gaussian modes and further collimated using two lens based configuration. We have measured the scintillation index of the spatial intensity profile collected from CCD. Comparative studies have been done by placing the image plane in five different positions on the propagation path of the beam so that we can detect Collimated, diverging and converging outputs. Four topological charges of LG beams and Gaussian beam have been used to envisage results.
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Optics

Strong Coupling beyond the High-Q Limit and Linewidth Narrowing in a Multi-Exciton Planar Microcavity

We systematically study the linewidths of multilevel exciton-polariton modes as a function of the detuning in a planar hybrid microcavity (MC) with low quality factor (Q~300) operating in the linear optical response regime. Using optical reflectivity, we observe that, counterintuitively, the linewidths of the polariton modes undergo a pronounced spectral narrowing as detuning is reduced. Using optical reflectivity, we observe that, counterintuitively, the linewidths of the polariton modes undergo a pronounced spectral narrowing as detuning is reduced. By benchmarking the experimental results against three commonly used constant-loss theoretical descriptions, we find that this behavior is only partially reproduced, highlighting limitations of conventional strong-coupling models when applied to non-standard MC architectures. Our results suggest that frequency-dependent self-energy effects or correlated dissipation mechanisms, typically neglected in simplified treatments, may play an important role.
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All authors E. A. Cerda-Méndez, Y. G. Rubo, K. Biermann, A. Camacho-Guardian, A. S. Kuznetsov, P. V. Santos

Atmospheric and Oceanic Physics · Cross-listed from cs.LG

Hierarchical Graph Networks for Accurate Weather Forecasting via Lightweight Training

Climate events arise from intricate, multivariate dynamics governed by global-scale drivers, profoundly impacting food, energy, and infrastructure. Yet, accurate weather prediction remains elusive due to physical processes unfolding across diverse spatio-temporal scales, which fixed-resolution methods cannot capture. Hierarchical Graph Neural Networks (HGNNs) offer a multiscale representation, but nonlinear downward mappings often erase global trends, weakening the integration of physics into forecasts. We introduce HiFlowCast and its ensemble variant HiAntFlow, HGNNs that embed physics within a multiscale prediction framework. Two innovations underpin their design: a Latent-Memory-Retention mechanism that preserves global trends during downward traversal, and a Latent-to-Physics branch that integrates PDE solution fields across diverse scales. Our Flow models cut errors by over 5% at 13-day lead times and by 5-8% under 1st and 99th quantile extremes, improving reliability for rare events. Leveraging pretrained model weights, they converge within a single epoch, reducing training cost and their carbon footprint. Such efficiency is vital as the growing scale of machine learning challenges sustainability and limits research accessibility. Code and model weights are in the supplementary materials.
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All authors Thomas Bailie, S. Karthik Mukkavilli, Varvara Vetrova, Yun Sing Koh

Plasma Physics

High-Harmonic Optical Vortex Generation from a Plasma Aperture

When a high-power, femtosecond, circularly polarized (CP) laser pulse is incident on a micrometer-scale aperture in a solid foil target, it drives surface plasma oscillation, generating high-order harmonic vortices in the diffracted light. However, this mechanism has so far only been studied theoretically under ideal conditions. In this work, we perform numerical studies on more realistic situations. In particular, we focus on a scenario where the laser is obliquely incident on the target surface to avoid the potential damage of the optics by the reflected light. We demonstrate that increasing oblique incidence angle, reducing target thickness, and improving laser contrast can enhance the harmonic conversion efficiency. However, the generated harmonic beams may contain both Laguerre-Gaussian (LG) (vortex) and non-LG components under non-ideal conditions. We show that they can be separated by their divergence, as the vortex components has smaller diverging angle. In addition, we have performed computational analyses on the harmonic divergence angles and topological charge spectra of vortex high-order harmonics under different conditions. These high-order harmonic pure LG modes can potentially be filtered out for wide range of fundamental and applied physics researches. This study provides valuable insights for the design and implementation of future experiments.
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Friday 24 October

Chemical Physics

Modeling formation and transport of clusters at high temperature and pressure gradients by implying partial chemical equilibrium

A theoretical approach to describing transport of an entire ensemble of clusters with different sizes as a single species in gas has been developed. The major assumption is an existence of local partial chemical equilibrium between the clusters. It is shown that thermal diffusion emerges in the collective description as a significant factor even if it is negligible when transport of the original molecular species is considered. Analytical expressions for the effective diffusion and thermal diffusion coefficients at temperature, pressure, and chemical composition gradients have been derived. The theory has been applied to a technology of H2S conversion in a centrifugal plasma-chemical reactor and has made it possible to account for sulfur clusters in numerical process modeling.
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Plasma Physics

Cold atmospheric microplasma jet-water interactions: physicochemical analysis and growth effects in flowering plants

Cold atmospheric pressure plasma jets (APPJs) are non-equilibrium plasmas, that are capable of producing reactive oxygen and nitrogen species (RONS) at near-room temperature. Their interaction with water leads to the formation of plasma-activated water (PAW), whose chemical activity depends on discharge conditions. In this work, a helium-air (14:1) micro-plasma jet operated in a ring-to-ring electrode configuration is used to generate PAW and study its influence on the growth of Chrysanthemum saplings. Optical emission spectroscopy (OES) confirms the presence of $N_2$ bands and He lines, with the He-air mixture providing more chemically active discharge (in terms of favoring the generation of nitrates in PAW) as compared to pure helium. The physicochemical characteristics of PAW such as pH, electrical conductivity (EC), oxidation-reduction potential (ORP), and total dissolved solids (TDS) are analyzed as a function of plasma treatment time and water volume. The optimum condition for PAW generation is found to be 12 ml of de-ionized (DI) water treated for 40 minutes, which yields the highest ORP and nitrate concentration with a reduced pH. Comparative growth experiments over two weeks show that PAW-treated Chrysanthemum saplings exhibit significantly greater height (10.2 cm) and soil fertility (2580 $\mu$S/cm) than those watered with same amount of DI water or tap water. The results highlight the potential of PAW for sustainable enhancement of growth of flowering plants.
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Instrumentation and Detectors

Data sorting modes of phoswich detector array

The different data-sorting modes of the phoswich detector array PARIS used for detecting high-energy (4$-$10 MeV) $\gamma$ rays are investigated. The characteristics including time resolution, energy resolution and detection efficiency under various modes are studied. The present study shows that PARIS has capabilities of rejecting escape and pileup events when used for decay spectroscopy. Notably, the methods presented in this work refer specifically to the $\beta$-decay experiment of $^{80g+m}$Ga conducted with three PARIS clusters comprising 27 phoswich detectors, rather than to a general report on the PARIS array or its overall performance for in-beam spectroscopy. Compared with the 2"$\times$2"$\times$2" LaBr$_3$(Ce) detector (Ciemała et al., 2009), even in individual mode, PARIS provides significant suppression of single- and double-escape peaks and reduces background via vetoing function of the outer-volume NaI(Tl) crystals. In contrast to the common approach of adding back the energies in LaBr$_3$(Ce) and NaI(Tl) to increase the detection efficiency of the full-energy peak, using NaI(Tl) as a veto shield provides a superior trade-off for applications where spectral purity is essential. Employing add-back analysis within each cluster of nine phoswiches or between all phoswiches could enhance full-energy peak efficiency and further suppress escape peaks and background. Applying a multiplicity condition provides a further suppression but simultaneously lowers the statistics of full-energy peaks.
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All authors R. Li, D. Verney, C. Delafosse, M. N. Harakeh, A. Maj, F. Didierjean, L. Al Ayoubi, H. Al Falou, P. Bednarczyk, G. Benzoni, F. Le Blanc, V. Bozkurt, M. Ciemała, F. C. L. Crespi, I. Deloncle, C. Gaulard, A. Gottardo, V. Guadilla, J. Guillot, K. Hadyńska-Klek, F. Ibrahim, N. Jovancevic, A. Kankainen, M. Kmiecik, M. Lebois, T. Martínez, P. Napiorkowski, B. Roussiere, Yu. G. Sobolev, M. Stanoiu, I. Stefan, S. Stukalov, D. Thisse, G. Tocabens

Instrumentation and Detectors · Cross-listed from cs.LG

Spatially Aware Linear Transformer (SAL-T) for Particle Jet Tagging

Transformers are very effective in capturing both global and local correlations within high-energy particle collisions, but they present deployment challenges in high-data-throughput environments, such as the CERN LHC. The quadratic complexity of transformer models demands substantial resources and increases latency during inference. In order to address these issues, we introduce the Spatially Aware Linear Transformer (SAL-T), a physics-inspired enhancement of the linformer architecture that maintains linear attention. Our method incorporates spatially aware partitioning of particles based on kinematic features, thereby computing attention between regions of physical significance. Additionally, we employ convolutional layers to capture local correlations, informed by insights from jet physics. In addition to outperforming the standard linformer in jet classification tasks, SAL-T also achieves classification results comparable to full-attention transformers, while using considerably fewer resources with lower latency during inference. Experiments on a generic point cloud classification dataset (ModelNet10) further confirm this trend. Our code is available at https://github.com/aaronw5/SAL-T4HEP.
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All authors Aaron Wang, Zihan Zhao, Subash Katel, Vivekanand Gyanchand Sahu, Elham E Khoda, Abhijith Gandrakota, Jennifer Ngadiuba, Richard Cavanaugh, Javier Duarte

Physics and Society

Matchings Under Biased and Correlated Evaluations

We study a two-institution stable matching model in which candidates from two distinct groups are evaluated using partially correlated signals that are group-biased. This extends prior work (which assumes institutions evaluate candidates in an identical manner) to a more realistic setting in which institutions rely on overlapping, but independently processed, criteria. These evaluations could consist of a variety of informative tools such as standardized tests, shared recommendation systems, or AI-based assessments with local noise. Two key parameters govern evaluations: the bias parameter $\beta \in (0,1]$, which models systematic disadvantage faced by one group, and the correlation parameter $\gamma \in [0,1]$, which captures the alignment between institutional rankings. We study the representation ratio, i.e., the ratio of disadvantaged to advantaged candidates selected by the matching process in this setting. Focusing on a regime in which all candidates prefer the same institution, we characterize the large-market equilibrium and derive a closed-form expression for the resulting representation ratio. Prior work shows that when $\gamma = 1$, this ratio scales linearly with $\beta$. In contrast, we show that the representation ratio increases nonlinearly with $\gamma$ and even modest losses in correlation can cause sharp drops in the representation ratio. Our analysis identifies critical $\gamma$-thresholds where institutional selection behavior undergoes discrete transitions, and reveals structural conditions under which evaluator alignment or bias mitigation are most effective. Finally, we show how this framework and results enable interventions for fairness-aware design in decentralized selection systems.
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Fluid Dynamics · Cross-listed from cond-mat.soft

Reciprocal swimming in granular media: the role of jamming and swimmer inertia

We use particle simulations to reveal two distinct propulsion mechanisms for a scallop-like swimmer to propel itself in granular media by reciprocally flapping its wings. Based on the discrete element method, we examine the structure, kinematics, and contact forces of particles near the swimmer to quantify how jamming manifests as stagnant zones near the swimmer in a frictional granular medium, which are less intense during the opening stroke than the closing. This broken symmetry is quantified by the difference in the number of strong particle contact forces formed during opening and closing, which shows a linear relation with the swimmer's net displacement across various swimmer and medium configurations, all favoring the opening stroke. We identify a secondary propulsion mechanism in a dynamic regime with significant swimmer inertia, as the flapping period approaches the coasting time for a moving swimmer to come to rest under the medium resistance. In this case, the swimmer's net displacement is correlated to the ratio between these two time scales, and the swimming direction favors the closing stroke due to the smaller medium resistance as the swimmer coasts with closed wings.
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Computational Physics · Cross-listed from math.NA

Preconditioning and Reduced-Order Modeling of Navier-Stokes Equations in Complex Porous Microstructures

We aim to solve the incompressible Navier-Stokes equations within the complex microstructure of a porous material. Discretizing the equations on a fine grid using a staggered (e.g., marker-and-cell, mixed FEM) scheme results in a nonlinear residual. Adopting the Newton method, a linear system must be solved at each iteration, which is large, ill-conditioned, and has a saddle-point structure. This demands an iterative (e.g., Krylov) solver, that requires preconditioning to ensure rapid convergence. We propose two monolithic algebraic preconditioners, $a\mathrm{PLMM_{NS}}$ and $a\mathrm{PNM_{NS}}$, that are generalizations of previously proposed forms by the authors for the Stokes equations ($a\mathrm{PLMM_{S}}$ and $a\mathrm{PNM_{S}}$). The former is based on the pore-level multiscale method (PLMM) and the latter on the pore network model (PNM), both successful approximate solvers. We also formulate faster-converging geometric preconditioners $g\mathrm{PLMM}$ and $g\mathrm{PNM}$, which impose $\partial_n\boldsymbol{u}\!=\!0$ (zero normal-gradient of velocity) exactly at subdomain interfaces. Finally, we propose an accurate coarse-scale solver for the steady-state Navier-Stokes equations based on $g\mathrm{PLMM}$, capable of computing approximate solutions orders of magnitude faster. We benchmark our preconditioners against state-of-the-art block preconditioners and show $g\mathrm{PLMM}$ is the best-performing one, followed closely by $a\mathrm{PLMM_{S}}$ for steady-state flow and $a\mathrm{PLMM_{NS}}$ for transient flow. All preconditioners can be built and applied on parallel machines.
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Optics

Semiconductor Wannier equations: a real-time, real-space approach to the nonlinear optical response in crystals (ATATA)

We develop the semiconductor Wannier equations (SWEs), a real-time, real-space formulation of ultrafast light-matter dynamics in crystals, by deriving the equations of motion for the electronic reduced density matrix in a localized Wannier basis. Working in real space removes the structure-gauge ambiguities that hinder reciprocal-space semiconductor Bloch equations. Electron–electron interactions are included at the time-dependent Hartree plus static screened-exchange (TD-HSEX) level. Decoherence is modeled with three complementary channels: pure dephasing, population relaxation, and distance-dependent real-space dephasing; providing physically grounded damping for strong-field phenomena such as high-harmonic generation. Conceptually, the SWEs bridge real-space semiclassical intuition with many-body solid-state optics, offering a numerically robust and gauge-clean alternative to reciprocal-space approaches for nonlinear optical response and attosecond spectroscopy in solids.
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All authors Eduardo B. Molinero, Bruno Amorim, Misha Ivanov, Graham G. Brown, Giovanni Cistaro, João M. Viana Parente Lopes, Álvaro Jiménez-Galán, Pablo San-Jose, Rui E. F. Silva

Plasma Physics · Cross-listed from astro-ph.SR

Quasi-Biennial Oscillations and Rieger-type Periodicities in a Babcock-Leighton Solar Dynamo

The Sun's magnetic field shows the 11-year solar cycle and shorter periodicities, popularly known as the quasi-biennial oscillations (QBOs) and Rieger-type periods, or “season of the Sun." Although several theories have been proposed to explain the origin of QBOs and Rieger-type periods, no single theory has widespread acceptance. We explore whether the \bl\ dynamo can produce Rieger-type periodicity and QBOs and investigate their underlying physical mechanisms. We use the observationally guided three-dimensional kinematic \bl\ dynamo model, which has emerged as a successful model for reproducing many characteristic features of the solar cycle. We use Morlet wavelet and global wavelet power spectrum techniques to analyze the data obtained from the model. In our model, we report QBOs and Rieger-type periods for the first time. Further, we investigate the individual \bl\ parameters (fluctuations in flux, latitude, time delay and tilt scatter) role in the occurrence of QBOs and Rieger-type periods. We find that while fluctuations in the individual parameters of the \bl\ process can produce QBOs and Rieger-type periodicity, their occurrence probability is enhanced when we consider combined fluctuations of all parameters in the \bl\ process. Finally, we find that with the increase of dynamo supercriticality, the model tends to suppress the generation of Rieger-type periodicity. Thus, this result supports earlier studies that suggest the solar dynamo is not highly supercritical.
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All authors Pawan Kumar, Belur Ravindra, Partha Chowdhury, Bidya Binay Karak

Fluid Dynamics

Mirror states enable lower viscosity lattice gases

We developed a method for significantly lowering the viscosity achievable for a hydrodynamic lattice gas method. The key advance is the derivation of a mirror state that allows for a reduction of viscosity by more than an order of magnitude over existing lattice gas methods.

Computational Physics · Cross-listed from eess.SY

High-Performance Rotor Cooling with Ducted Liquid in Completely Cold-Formed Modular Motor Shaft

This paper suggests a novel rotor-cooling shaft concept for high-performance electric motors that increases the effectiveness of cooling and is yet simple and cost-effective to manufacture. We investigate the thermal performance of four shaft geometries for rotor cooling in automotive applications. The proposed tooth-guided liquid-cooling shaft design aims to solve the high churning loss of conventional cooled rotor shafts due to internal vortex formation and their still limited heat transfer. Therefore, we optimize heat transfer efficiency and pressure management by incorporating cold-formed internal channels that restrict vortex formation beyond a degree that improves heat transfer. We evaluated key performance metrics, including heat transfer rate, outlet temperature, pressure drop, and velocity profiles, under varying rotational speeds, inlet flow rates, and coolant temperatures. Computational fluid analysis demonstrates that the tooth-guided design outperforms conventional hollow shafts and achieves up to 110% higher cooling efficiency at low rotational speeds, while it maintains comparable pressure levels. These findings provide practical insight into geometry-driven thermal optimization and offer a path toward improving the performance and durability of electric motors.
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All authors Rezvan Alamian, Sören Müller, Uwe Steinmetz, Christian Henrich, Stefan Goetz

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

Highly Tunable Phonon Polaritons via Metal Intercalation

Phonon polaritons in van der Waals crystals offer mid-infrared light confinement deep below the diffraction limit, making them promising for nanophotonics applications. However, the practical use of phonon polaritons remains limited, in part due to the lack of precise control over the phonon polariton dispersion, as crystal lattice vibrations are often inert to external stimuli. Here, we address this challenge by zerovalent metal intercalation of $\alpha$-MoO$_3$. Photo-induced force microscopy shows that introducing tin into the van der Waals gap modulates the phonon polariton dispersion by up to $38.5\pm0.5\%$, which is the highest amount of tunability among non-mechanical modulation approaches, to the best of our knowledge. Intercalation with various metal species preserves the phonon polariton lifetimes, while modulating the dielectric permittivity in agreement with the density functional theory and analytical calculations. Our results establish metal intercalation as a practical route to reconfigurable mid-infrared nanophotonics.
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All authors Mariia Stepanova, Minh Ngo, Mashnoon Alam Sakib, Wills Harris, Joshua Bocanegra, Ruqian Wu, Kristie J. Koski, Maxim R. Shcherbakov

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

First-principles study of phase stability and magnetic properties of B2 AlCr, AlMn, AlFe, AlCo and AlNi aluminides

Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and Ni). Thermodynamically, all five binary aluminides are more stable in the ordered B2 phase than in the disordered body centered cubic phase, and Co is found to be the strongest B2 forming element with Al. The AlCo and AlNi compounds with B2 structure are verified to be non-magnetic, whereas AlFe turns out to be weakly magnetic, which is consistent with other DFT calculations employing similar exchange-correlation approximations. Magnetic simulations based on the Heisenberg Hamiltonian predict an antiferromagnetic ground state for the hypothetical B2 AlCr, which is also confirmed by direct DFT calculations. Doping AlCr with Co leads to an antiferromagnetic to ferromagnetic transition, where ferromagnetism is to a large extent attributed to Cr atoms. The phase stability and magnetic trends are explained using electronic structure arguments. The present findings contribute to a deeper understanding of the phase stability and magnetic properties of AlX binary alloys, providing insights into the formation mechanisms of the B2 structure with 3d magnetic transition metals.
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All authors Haireguli Aihemaiti, Esmat Dastanpour, Anders Bergman, Levente Vitos

Chemical Physics

Tracking Microhydration of the NaCl Rocksalt Molecule in Helium Nanodroplets by Penning Ionization Electron Spectroscopy

The microhydration of rock salt (NaCl) molecules was investigated using high-resolution Penning ionization electron spectroscopy (PIES) in helium nanodroplets. Although model calculations predict that NaCl molecules are fully submerged inside the droplets, PIES of NaCl are highly resolved, in stark contrast to other molecular species. Co-doping the droplets with a controlled number of $n=5$–10 water molecules leads to efficient quenching of the NaCl Penning ionization signal and to its full suppression for $n\gtrsim 30$. Accompanying density-functional theory (DFT) and force field calculations reveal a transition from contact ion pair structures to solvent-separated ion pairs at $n=12$–15. However, it takes $n\approx 17$ water molecules to form a complete solvation shell around the Cl$^-$ anion and as many as $n\approx 34$ to fully hydrate the Na$^+$ cation, thus the entire NaCl molecule, which rationalizes the experimental findings.
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All authors Ltaief Ben Ltaief, Keshav Sishodia, Robert Richter, Martí Pi, Manuel Barranco, Jussi Eloranta, Sivarama Krishnan, Florent Calvo, Marcel Mudrich

Computational Physics · Cross-listed from cs.SE

FeaGPT: an End-to-End agentic-AI for Finite Element Analysis

Large language models (LLMs) are establishing new paradigms for engineering applications by enabling natural language control of complex computational workflows. This paper introduces FeaGPT, the first framework to achieve complete geometry-mesh-simulation workflows through conversational interfaces. Unlike existing tools that automate individual FEA components, FeaGPT implements a fully integrated Geometry-Mesh-Simulation-Analysis (GMSA) pipeline that transforms engineering specifications into validated computational results without manual intervention. The system interprets engineering intent, automatically generates physics-aware adaptive meshes, configures complete FEA simulations with proper boundary condition inference, and performs multi-objective analysis through closed-loop iteration. Experimental validation confirms complete end-to-end automation capability. Industrial turbocharger cases (7-blade compressor and 12-blade turbine at \SI{110000}{rpm}) demonstrate the system successfully transforms natural language specifications into validated CalculiX simulations, producing physically realistic results for rotating machinery analysis. Additional validation through 432 NACA airfoil configurations confirms scalability for parametric design exploration. These results demonstrate that natural language interfaces can effectively democratize access to advanced computational engineering tools while preserving analytical rigor.
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Medical Physics

Cross-Section-Based Scaling Method for Material-Specific Cluster Dose Calculations – A Proof of Concept

Cross-section data unavailability for non-water materials in track structure simulation software necessitates nanodosimetric quantity transformation from water to other materials. Cluster dose calculation transformation initially employed mass-density-based scaling - an approach resulting in a physically unrealistic material-independence of the cluster dose equation. This study introduces an alternative scaling method based on material-specific ionization cross-sections. The mean free path ratio of the materials for both the primary particles of the track structure simulation and for the secondary electrons served as the scaling factor. The approach was demonstrated through a cluster dose calculation for a carbon ion beam in a realistic head geometry and compared to the previous scaling method. The proposed cross-section-based scaling method resulted in a physically expected increase in cluster dose values for denser materials, which was not visible in the original scaling approach. The introduced scaling approach can be used to determine cluster dose distributions in heterogeneous geometries, a fundamental requirement for its integration into radiotherapy treatment planning frameworks.
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All authors Miriam Schwarze, Hui Khee Looe, Björn Poppe, Leo Thomas, Hans Rabus

Medical Physics

Technical assessment of a novel vertical CT system for upright radiotherapy simulation and treatment planning

Purpose: To characterize image quality, imaging dose, and dose calculation accuracy for an upright CT scanner with a six-degree-of-freedom patient positioning system. Methods: Imaging dose (CTDIvol) was measured at 120 kVp and 200 mAs. Image quality was evaluated using an ACR-464 phantom. Mean CT number accuracy was assessed within inserts of known material and uniformity as the difference in values at the center and periphery of uniform phantoms. High-contrast resolution was assessed by visible line pairs and modulation transfer function (MTF). Low-contrast performance was quantified by contrast-to-noise-ratio (CNR). Spatial integrity was evaluated between fiducials 100 mm apart. Hounsfield unit to mass density and stopping-power-ratio calibrations were performed. Proton and photon treatment plans were optimized on upright CT scans of a thorax phantom in heterogenous and homogeneous regions. Dose was forward computed on a registered recumbent CT scan and agreement evaluated using 3D gamma analysis. Results: CT imaging dose (CTDIvol) was 23.5 mGy for the 16 cm head phantom and 10.1 mGy for the 32 cm body phantom. Mean CT numbers (HU) were within the expected range for water (1.7) and acrylic (120.8). CT numbers were slightly (5-27 HU) out-of-range for air (-950.4), polyethylene (-78.8), and bone (823.0). Image uniformity was 20.2 HU and 35.0 HU for 20 cm and 48 cm diameter phantoms, respectively. Eight high-contrast line pairs were visualized. The MTF equaled 4.4 cm-1 at 50% and 7.1 cm-1 at 10%. The median CNR was 0.93, below the 1.0 tolerance. Spatial integrity was 0.36 mm. Gamma pass rates were 99.8% for photon and 90.6% for proton plans with 1%/1mm criteria, and greater than or equal to 98.0% for all plans with 3%/2mm criteria. Conclusion: Upright CT image quality and dose calculation accuracy are acceptable for photon and proton radiotherapy.
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All authors Jordan M. Slagowski, Yuhao Yan, Jessica R. Miller, John W. Hayes, Carson A. Hoffman, Minglei Kang, Carri K. Glide-Hurst

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

Magnetic transition in B2 Al-Cr-Co alloys

Using Density Functional Theory (DFT) calculations and Monte-Carlo (MC) simulations, we investigate the recently reported magnetic transition in B2 Al-Cr-Co alloys. The Cr sublattice is alloyed with different amounts of Co in the antiferromagnetic (AFM) B2 AlCr binary alloy and the resulting exchange interactions are analyzed within the Heisenberg Hamiltonian framework. DFT results reveal that at low Co concentrations the system favors the AFM order, while at high Co contents a transition to the ferromagnetic (FM) state is observed. Within the FM stability field, the Curie temperature (TC), obtained within the mean-field approximation, is below ~160 K and decreases with Co concentration. The calculated exchange parameters evolve systematically with Co content, and the trends are consistent with the DFT total energies. The magnetic configurations obtained from MC simulations follow the DFT results at low Cr levels but predict a spin-glass behavior for alloys containing more than 40 at.% Co on Cr sublattice. These findings provide a fundamental understanding of how the chemistry-driven changes in exchange interactions affect magnetism in the B2 Al-Cr-Co alloys.
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All authors Haireguli Aihemaiti, Esmat Dastanpour, Shashank Chaturvedi, Shuo Huang, Anders Bergman, Levente Vitos

Optics

Zernike Mode Sorting with Vortex Phase Filters: Perfect Coronagraphs and Ideal Wavefront Sensors

Spatial mode sorting has come to prominence as an optical processing modality capable of saturating fundamental limits to numerous sensing tasks including wavefront sensing, coronagraphy, and superresolution imaging. But despite their promising theoretical advantages, contemporary mode sorters often feature large crosstalk, high loss, or sort modes that are poorly adapted to conventional imaging systems (e.g., Hermite- and Laguerre-Gauss). Here, we introduce an alternative architecture that sorts spatial modes natural to circularly symmetric apertures: Zernike polynomials. Using conventional optics hardware and even-order vortex phase plates, we show how to assemble a series of vortex phase filters that can in principle separate the various Zernike polynomials losslessly and without crosstalk. This idea is demonstrated via application to wavefront sensing and coronagraphy, where we propose an optical system that saturates the quantum sensitivity limits to both tasks. We expect our work to prove useful for high-contrast imaging of extrasolar planets, improving both wavefront control and coronagraph performance.
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Fluid Dynamics

Revisiting the phenomenon of bouncing of inertial particles crossing density stratified interfaces

Inertial spheres settling through sharp density interfaces can arrest, reverse direction, and resume descent, a phenomenon known as bouncing. Using synchronized particle image velocimetry and tracking in water-salt and water-glycerol stratifications, we demonstrate that bouncing is the dynamic response of a coupled sphere-fluid composite. As the sphere crosses the interface, it entrains a boundary layer of lighter fluid, creating a transient buoyant wake. We formalize this mechanism into a phenomenological dynamic model that couples the momentum of the sphere with the entrainment and detachment of the wake. Evaluating the stationary points of this system yields a criterion that classifies trajectory archetypes (smooth crossing, deep minima, and bouncing) across different fluid regimes. We identify a dual role of viscosity, which is often overlooked by density-only models: it acts kinematically to thicken the boundary layer and increase the entrained wake volume, and dynamically to alter the drag-to-weight balance. Furthermore, we describe the spatial dynamics of the crossing: inertia-dominated spheres penetrate further into the lower fluid before arresting due to a longer wake-detachment length, whereas buoyancy-dominated spheres arrest closer to the interface. Finally, we show that the retention time is governed by the buoyancy-driven detachment of the entrained film. By normalizing the measured retention times with a characteristic detachment timescale, we collapse the data from different viscosity regimes onto a single curve. These physical insights allow the prediction of trajectory archetype, deceleration depth, and retention time from bulk properties.
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All authors Chen Mortenfeld, Maarten van Reeuwijk, Aviv Littman, Alex Liberzon

Physics and Society

MacroEnergy.jl: A large-scale multi-sector energy system framework

MacroEnergy.jl (aka Macro) is an open-source framework for multi-sector capacity expansion modeling and analysis of macro-energy systems. It is written in Julia and uses the JuMP package to interface with a wide range of mathematical solvers. It enables researchers and practitioners to design and analyze energy and industrial systems that span electricity, fuels, bioenergy, steel, chemicals, and other sectors. The framework is organized around a small set of sector-agnostic components that can be combined into flexible graph structures, making it straightforward to extend to new technologies, policies, and commodities. Its companion packages support decomposition methods and other advanced techniques, allowing users to scale models across fine temporal and spatial resolutions. MacroEnergy.jl provides a versatile platform for studying energy transitions at the detail and scale demanded by modern research and policy.
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All authors Ruaridh Macdonald, Filippo Pecci, Luca Bonaldo, Jun Wen Law, Yu Weng, Dharik Mallapragada, Jesse Jenkins