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Thursday 29 January

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

Metal Halide Perovskites for Violet and Ultraviolet Light Emission

Emissive metal halide perovskites (MHPs) have emerged as excellent candidates for next-generation optoelectronics due to their sharp color purity, inexpensive processing, and bandgap tunability. However, the development of violet and ultraviolet light-emitting MHPs has lagged behind due to challenges related to material and device stability, charge carrier transport, tunability into the ultraviolet spectrum, toxicity, and scalability. Here, we review the progress of both violet and ultraviolet MHP nanomaterials and light-emitting diodes, including materials synthesis and device fabrication across various crystal structures and dimensions (e.g., bulk thin films, 2D thin films, nanoplatelets, colloidal nanocrystals, and more) as well as lead-free platforms (e.g., rare-earth metal halide perovskites). By highlighting several pathways to continue the development of violet and ultraviolet light-emitting MHPs while also proposing tactics to overcome their outstanding challenges, we demonstrate the potential of state-of-the-art violet and ultraviolet MHP materials and devices for important applications in public health, 3D printing, nanofabrication, and more.
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All authors Sebastian Fernández, Manchen Hu, Tyler K. Colenbrander, Divine Mbachu, Daniel N. Congreve

Optics · Cross-listed from quant-ph

3D imaging of the biphoton spatiotemporal wave packet

Photons are among the most important carriers of quantum information owing to their rich degrees of freedom (DoFs), including various spatiotemporal structures. The ability to characterize these DoFs, as well as the hidden correlations among them, directly determines whether they can be exploited for quantum tasks. While various methods have been developed for measuring the spatiotemporal structure of classical light fields, owing to the technical challenges posed by weak photon flux, there have so far been no reports of observing such structures in their quantum counterparts, except for a few studies limited to correlations within individual DoFs. Here, we propose and experimentally demonstrate a self-referenced, high-efficiency, and all-optical method, termed 3D imaging of photonic wave packets, for comprehensive characterization of the spatiotemporal structure of a quantum light field, i.e., the biphoton spatiotemporal wave packet. Benefiting from this developed method, we successfully observe the spatial-spatial, spectral-spectral, and spatiotemporal correlations of biphotons generated via spontaneous parametric down-conversion, revealing rich local and nonlocal spatiotemporal structure in quantum light fields. This method will further advance the understanding of the dynamics in nonlinear quantum optics and expand the potential of photons for applications in quantum communication and quantum computing.
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All authors Yang Xue, Ze-Shan He, Hao-Shu Tian, Qin-Qin Wang, Bin-Tong Yin, Jun Zhong, Xiao-Ye Xu, Chuan-Feng Li, Guang-Can Guo

Data Analysis and Statistics · Cross-listed from cond-mat.mtrl-sci

Model-free Analysis of Scattering and Imaging Data with Escort-Weighted Shannon Entropy and Divergence Matrices

We demonstrate a model-free data analysis framework that leverages escort-weighted Shannon Entropy and several divergence matrices to detect phase transitions in scattering and imaging datasets. By establishing a connection between physical entropy and informational entropy, this approach provides a sensitive method for identifying phase transitions without an explicit physical model or order parameter. We further show that pairwise divergence matrices, including Kullback-Leibler divergence, Jeffrey Divergence, Jensen-Shannon Divergence and antisymmetric Kullback-Leibler divergence, provide more comprehensive measures of statistical changes than scalar entropy alone. Our approach successfully detects the onset of both long- and short-range order in neutron and X-ray scattering data, as well as a non-trivial phase transition in magnetic skyrmion lattices observed through Lorentz-transition electron microscopy. These results establish a framework for automated, model-free analysis of experimental data with broad applications in materials science and condensed matter physics.
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All authors Jared Coles, Arthur R. C. McCray, Yue Li, Bryan T. Fichera, Yan Wu, Yiqing Hao, Daniel Phelan, Yue Cao, Raymond Osborn, C. Phatak, Stephan Rosenkranz, Yu Li

Fluid Dynamics · Cross-listed from math.NA

An efficient implicit scheme for the multimaterial Euler equations in Lagrangian coordinates

Stratified fluids composed of a sequence of alternate layers show interesting macroscopic properties, which may be quite different from those of the individual constituent fluids. On a macroscopic scale, such systems can be considered a sort of fluid metamaterial. In many cases each fluid layer can be described by Euler equations following the stiffened gas equation of state. The computation of detailed numerical solutions of such stratified material poses several challenges, first and foremost the issue of artificial smearing of material parameters across interface boundaries. Lagrangian schemes completely eliminate this issue, but at the cost of rather stringent time step restrictions. In this work we introduce an implicit numerical method for the multimaterial Euler equations in Lagrangian coordinates. The implicit discretization is aimed at bypassing the prohibitive time step restrictions present in flows with stratified media, where one of the materials is particularly dense, or rigid (or both). This is the case for flows of water-air mixtures, air-granular media, or similar high density ratio systems. We will present the novel discretisation approach, which makes extensive use of the remarkable structure of the governing equations in Lagrangian coordinates to find the solution by means of a single implicit discrete wave equation for the pressure field, yielding a symmetric positive definite structure and thus a particularly efficient algorithm. Additionally, we will introduce simple filtering strategies for counteracting the emergence of pressure or density oscillations typically encountered in multimaterial flows, and will present results concerning the robustness, accuracy, and performance of the proposed method, including applications to stratified media with high density and stiffness ratios.
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Biological Physics

Multiple binding modes of AKT on PIP$_3$-containing membranes

The PI3K/AKT signaling pathway is triggered by recruitment of AKT to cellular membranes. Although AKT is a multidomain serine/threonine kinase composed of an N-terminal pleckstrin homology (PH) domain and a C-terminal kinase domain, how these domains cooperate to regulate AKT activation on membranes remains unclear at the molecular level. Here, using molecular dynamics simulations of full-length AKT on PIP$_3$-containing lipid bilayers, we identify four distinct membrane-binding modes that differ in the orientations and membrane contacts of the PH and kinase domains. In addition to PIP$_3$ binding to the PH domain, we observe specific PIP$_3$ interactions with basic residues in the kinase domain. In the most stable mode, PIP$_3$ interacts with both the canonical and a secondary binding site in the PH domain, while the kinase domain adopts an orientation in which the activation-loop phosphorylation site is exposed to the solvent. Interestingly, the populations of these binding modes depend on the PIP$_3$ concentration in the membrane, leading to changes in the preferred orientation of AKT. These findings shed light on how lipid recognition by the PH domain and the kinase domain of AKT cooperatively shape its membrane-bound conformations.
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Biological Physics · Cross-listed from cond-mat.soft

Imperfect Turing Patterns: Diffusiophoretic Assembly of Hard Spheres via Reaction-Diffusion Instabilities

Turing patterns are stationary, wave-like structures that emerge from the nonequilibrium assembly of reactive and diffusive components. While they are foundational in biophysics, their classical formulation relies on a single characteristic length scale that balances reaction and diffusion, making them overly simplistic for describing biological patterns, which often exhibit multi-scale structures, grain-like textures, and inherent imperfections. Here, we integrate diffusiophoretically-assisted assembly of finite-sized cells, driven by a background chemical gradient in a Turing pattern, while also incorporating intercellular interactions. This framework introduces key control parameters, such as the Péclet number, cell size distribution, and intercellular interactions, enabling us to reproduce strikingly similar structural features observed in natural patterns. We report imperfections, including spatial variations in pattern thickness, packing limits, and pattern breakups. Our model not only deepens our understanding but also opens a new line of inquiry into imperfect Turing patterns that deviate from the classical formulation in significant ways.
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Fluid Dynamics

Depth-Aware Machine Learning Framework for Bubble Characterization in Two-Phase Flows

Understanding the three-dimensional motion of bubbles is essential for interpreting transport and mixing in multiphase flows, especially when bubbles deform under shear or move rapidly through the flow field. In many laboratory setups, only a single high-speed camera is available, which limits measurements to two dimensions. Traditional image-processing tools can identify bubbles only when they appear circular and isolated, but they struggle with irregularly shaped bubbles, shear-induced deformations, strong blurring, and partial overlaps. Multi-camera systems could overcome these issues, but require significant hardware additions and calibration effort. In this work, we introduce a new machine-learning framework that can detect bubbles and estimate their depth using only a single 20 kHz high-speed camera with 3 \textmu m resolution. The method first uses a large unlabeled dataset and clusters the bubbles with an unsupervised algorithm to reveal their underlying structure. These clusters provide pseudo labels, which are combined with a small set of true in-plane bubble labels to train a semi-supervised model that generalizes across different bubble appearances. These components produce a continuous depth-proxy score that indicates how close each bubble is to the imaging plane, even when bubbles are distorted or irregularly shaped. In parallel, we perform robust bubble identification using instance segmentation, which separates touching, overlapping, and elongated bubbles generated by high-velocity shear. Quantitatively, the in-plane segmentation baseline achieves strong held-out performance with Average Precision (AP) = 0.818, implying stable detection across thresholds, clutter, bubble detection Precision of 0.901, and a False-Positive Rate (FPR) near 6.1%, hence low spurious bubbles and cleaner statistics under the tested acquisition conditions.
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All authors Chaitanya S Nayak, Faizaan Mohammed, Vivek Kumar, Shivam Prajapati, Cyrus Aidun

Computational Physics

Semi-implicit Lax-Wendroff kinetic scheme for hydrodynamic phonon transport

A semi-implicit Lax-Wendroff kinetic scheme is developed for hydrodynamic phonon transport in solid materials based on the Boltzmann transport equation under the double relaxation time approximation, in which both the normal and resistive scattering processes are accounted. The trapezoidal and midpoint rules are adopted for the temporal integration of the scattering and migration terms under the framework of finite volume method, respectively. Instead of direct numerical interpolation, the kinetic equation is solved again when reconstructing the interfacial flux, in order to realize the coupling of phonon migration and scattering within a numerical time step. Specifically, the finite difference scheme is introduced and the second-order upwind or central schemes are used for the reconstruction of the interfacial distribution function and its spatial gradient. Consequently, the cell size and time step of the present method could be larger than the phonon mean free path and relaxation time in the limit of small Knudsen numbers. Numerical tests demonstrate that the present method can accurately capture multi-scale thermal conduction phenomena within different normal or resistive scattering rates.
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All authors Shijie Li, Hong Liang, Songze Chen, Chuang Zhang

Physics and Society · Cross-listed from quant-ph

Community detection in network using Szegedy quantum walk

In a network, the vertices with similar characteristics construct communities. The vertices in a community are well-connected. Detecting the communities in a network is a challenging and important problem in the theory of complex networks. One approach to solving this problem uses the classical random walks on graphs. In quantum computing, quantum walks are the quantum mechanical counterparts of classical random walks. In this article, we employ a variant of Szegedy's quantum walk to develop a procedure for discovering the communities in networks. The limiting probability distribution of quantum walks assists us in determining the inclusion of a vertex in a community. We apply our community detection procedure to a variety of graphs and social networks, including the relaxed caveman graph, $l$-partition graph, Karate club graph, and the dolphin's social network, among others.
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Atmospheric and Oceanic Physics · Cross-listed from cs.LG

Learning to Advect: A Neural Semi-Lagrangian Architecture for Weather Forecasting

Machine-learning approaches to weather forecasting often employ a monolithic architecture in which distinct physical mechanisms, such as advection, diffusive mixing, thermodynamic processes, and forcing, are represented implicitly within a single large neural network. This is particularly problematic for advection, where long-range transport typically requires expensive global interaction mechanisms or deep stacks of local convolutional layers. To address this limitation, we introduce a physics-inspired neural architecture that decomposes latent-state evolution into dedicated advection, diffusion, and reaction operators. Its central component is a Neural Semi-Lagrangian operator that performs trajectory-based transport via differentiable interpolation on the sphere, allowing the network to learn both a compressed set of latent modes to be transported and their characteristic trajectories. The atmospheric state is projected into latent space and spatially coarsened to a processor grid, where advection, diffusion, and reaction operators jointly evolve the representation. Diffusive mixing and unresolved dissipation are represented by depthwise-separable spatial mixing, while local source terms and vertical interactions are handled through pointwise channel interactions. We evaluate a reference implementation of the proposed architecture on global weather forecasting. Evaluated on ERA5 benchmarks, the reference model achieves competitive deterministic forecast skill, with particularly strong performance at short to medium lead times, while preserving improved spectral fidelity and forecast activity relative to several leading data-driven baselines.
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All authors Carlos A. Pereira, Stéphane Gaudreault, Valentin Dallerit, Christopher Subich, Shoyon Panday, Siqi Wei, Sasa Zhang, Siddharth Rout, Eldad Haber, Raymond J. Spiteri, David Millard

Wednesday 28 January

Instrumentation and Detectors

Performance evaluation of an offshore wave measurement buoy in monochromatic waves

The accurate measurement of waves underpins marine energy resource characterization, device design, and project development. Datawell wave buoys are widely deployed around the world and have long served as a trusted standard for wave measurements. We quantify the measurement performance, including wave elevation and energy flux estimation, of a Datawell DWR-MkIII buoy using prescribed monochromatic heave motions on a large-amplitude six-degree-of-freedom motion platform at the National Laboratory of the Rockies, assuming the buoy behaves as an ideal wave follower. Commanded motions were validated with an optical motion tracking system while buoy elevation and raw acceleration were recorded. Wave elevations were propagated to wave energy flux estimation using four methods, including one frequency-domain method and three time-domain methods. The Bayesian optimization was applied for design of experiments, and records from three test sites were also applied and evaluated in the present study. Results show two error regions within the nominal period range of 1.6s to 30s}. For wave periods between 5s and 25s, the buoy provides accurate wave height measurements. For short periods less than 5s, the 1.28Hz sampling frequency induces sub-Nyquist artifacts that bias elevation and can drive maximum energy flux estimation errors above 100%. For long periods exceeding 25s, the buoy reported elevation is underpredicted with error depending on period but relatively independent of wave height, with maximum wave height and wave energy flux errors reaching 64% and 87%, respectively. The analysis of field data also indicates that the currently recommended method for estimating wave energy flux may underestimate the wave energy flux.
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All authors Xuepeng Fu, Frederick Driscoll, Rebecca Fao, Calum Kenny, Kevin Patrick Griffin, Mark Murphy, Scott Lambert

Chemical Physics

Resonant Coupling Between Electromagnetic Waves and Protein Conformational Dynamics Revealed by Molecular Dynamics Simulations

The biological effects of electromagnetic fields on proteins remain controversial beyond well-established thermal mechanisms, particularly with respect to frequency-dependent responses. Here, we propose that electromagnetic waves can modulate protein conformation through resonant coupling with intrinsic protein dynamics. Molecular dynamics simulations were employed to characterize spontaneous conformational fluctuations in the absence of external fields, and a tiered screening strategy combined with fast Fourier transform analysis was used to identify dominant intrinsic frequencies associated with periodically fluctuating non-covalent atom or residue pairs. Oscillating external electric fields were subsequently applied at resonant and off-resonant frequencies to evaluate conformational responses across diverse protein systems. The results demonstrate that resonant excitation induces significantly enhanced backbone conformational deviations compared to off-resonant conditions, with the effect becoming more pronounced in structurally flexible and multichain proteins. These findings provide atomistic evidence for frequency-specific resonance between electromagnetic fields and protein conformational dynamics, offering mechanistic insight into frequency-dependent electromagnetic effects and a computational framework for electromagnetic wave-based modulation of protein function.
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All authors Jiafei Chen, Yuanyuan Feng, Jingzhi Feng, Xinyun Zhang, Jinzhen Zhu, Qingmeng Xu

Atomic Physics · Cross-listed from cond-mat.quant-gas

A matter-wave Fabry-Pérot cavity in the ultrastrong driving regime

When the length of an optical cavity is modulated, theory predicts exponential concentration of energy around particular space-time trajectories. Viewed stroboscopically, photons in such a driven cavity propagate as if in a curved spacetime, with black hole and white hole event horizons corresponding to unstable and stable fixed points of the evolution. Such phenomena have resisted direct experimental realization due to the difficulty of relativistically accelerating massive cavity mirrors. We report results of an experiment which overcomes this limitation by exchanging the roles of light and matter. A matter wave endowed with quasi-relativistic dispersion is confined between two barriers made of light, one of which is periodically translated at speeds comparable to the matter wave group velocity. In this strongly-modulated cavity we observe the emergence of the predicted bright and dark fixed point trajectories, and demonstrate that changing the modulation waveform can vary the number of fixed points and exchange their stability character. We observe signatures of nontrivial dynamics beyond those predicted for photons, and attribute them to residual curvature in the dispersion relation. In addition to experimentally realizing and characterizing cavity dynamics in the ultra-strong driving regime, these results point the way to implementations of related dynamics in electro-optic materials, with potential applications in pulse generation and signal compression.
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All authors Jeremy L. Tanlimco, Eber Nolasco-Martinez, Xiao Chai, S. Nicole Halawani, Eric Zhu, Ivar Martin, David M. Weld

Optics · Cross-listed from quant-ph

A levitated nano-accelerometer sensitized by quantum quench

We realize a nanoscale accelerometer exploiting the nonequilibrium dynamics of a nanoparticle near the quantum ground state. We explore the dynamics after quenching the trapping potential and find that rapid quenching provides an instance at which the sensitivity is enhanced due to the minimized uncertainty in the position. With rapid quenching, the observed sensitivity is in good agreement with a numerical simulation based on the quantum Langevin equation and approaches to the limit given by the quantum Fisher information. Our results open up a pathway to quantum inertial sensing sensitized by exploiting quench dynamics.
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All authors M. Kamba, S. Otabe, K. Funo, T. Sagawa, K. Aikawa

Chemical Physics

Accurate Thermophysical Properties of Water using Machine-Learned Potentials

Simulating water from first principles remains a significant computational challenge due to the slow dynamics of the underlying system. Although machine-learned interatomic potentials (MLPs) can accelerate these simulations, they often fail to achieve the required level of accuracy for reliable uncertainty quantification. In this study, we use MACE - an equivariant graph neural network architecture that has been trained using an extensive RPBE-D3 database - to predict density isobars, diffusion constants, radial distribution functions, and melting points. Although equivariant MACE models are computationally more expensive than simpler architectures, such as kernel-based potentials (KbPs), their significantly lower total energy errors allow for reliable thermodynamic reweighting with minimal bias. Our results are consistent with those of previous studies using KbPs; however, equivariant models can be validated against the ground-truth density functional theory (DFT) ensemble, providing a critical advantage. These findings establish equivariant MLPs as robust and reliable tools for investigating the thermophysical properties of water with DFT-level accuracy.
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Space Physics · Cross-listed from astro-ph.SR

The First Quantitative Study of Tail Regrowth of CME-Driven Disconnection in Comet C/2023 P1 Nishimura

Comet C/2023 P1 (Nishimura) was observed by the Solar Orbiter Heliospheric Imager (SoloHI), onboard the Solar Orbiter spacecraft, from 2023 September 1 to 14. During this period, the ion tail of the comet exhibited continual fluctuations and four tail disconnection events (TDEs), each coinciding with the passage of a coronal mass ejection (CME). In this work, we report on the ion tail dynamics of the best observed TDE, which occurred on September 11. The SoloHI white-light images reveal an abrupt bending, subsequent kinks, and severing of a downstream portion of the pre-existing ion tail. The onset of disconnection occurred $\sim$6.5 hours after the projected passage of the CME leading edge in the images, consistent with a CME flank encounter. After the disconnection, the ion tail reformed within $\sim$24 hours, with a regrowth rate of $\sim$86$\pm7~\mathrm{km\,s^{-1}}$, indicating the rate at which newly ionized material forms along the magnetic field draped around the comet's coma. After the TDE, the detached tail drifted anti-sunward at an estimated speed of $\sim$295$\pm20~\mathrm{km\,s^{-1}}$, comparable to the local CME flank's speed, suggesting that the severed plasma was most likely carried away from the comet by the CME. This study provides the first direct, quantitative characterization of comet-CME interactions and the subsequent regrowth phase of a cometary TDE. These measurements were achievable by SoloHI's unique inner-heliospheric coverage, thanks to a combination of high photometric sensitivity, short exposure times, and a wide field of view that preserves the fine-scale tail dynamics.
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All authors Shaheda Begum Shaik, Guillermo Stenborg, Phillip Hess, Angelos Vourlidas, Karl Battams, Robin Colaninno

Atomic Physics

Trapping and cooling mechanisms in blue-detuned magneto-optical traps of molecules

In red-detuned magneto-optical traps (MOTs) of molecules, sub-Doppler heating competes with Doppler cooling, resulting in high temperature and low density. A solution is offered by the blue-detuned MOT where sub-Doppler cooling dominates and the cloud is compressed. Several blue-detuned molecular MOTs have been implemented. A recent implementation relies on a pair of orthogonally polarized components whose frequency separation is smaller than the transition linewidth. We identify the trapping force in these MOTs. At a certain magnetic field, there is a state that is dark to the laser propagating in one direction, but not to the counter-propagating one. This Zeeman-induced dark state (ZIDS) sets up an imbalance in the photon scattering rate, leading to a restoring force. We also study the role of the moving lattices generated by the closely-spaced frequency components of the light. We show that there is a velocity-dependent force that drives the molecules towards the speeds of these moving lattices, and that over a relevant range of magnetic fields this combines with the ZIDS force to transport molecules towards the centre of the MOT. Here, gray molasses cooling, assisted by non-adiabatic transitions driven by the time-varying polarization of the light field, cools the molecules towards zero velocity. We study these mechanisms for model systems with simple level structures, then extend them to molecules with ground state hyperfine structure.
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Fluid Dynamics

Reviving the Suspension Balance Model

The Suspension Balance Model (SBM) [J. Fluid Mech. 275, 157 (1994)] for two-phase flows uses the momentum balance of the particle phase as a closure for the particle flux, showing that particle migration is driven by the divergence of the particle-phase stress. The underlying basis of this model was challenged by Nott~et~al.\ [Phys. Fluids 23, 043304 (2011)] where the authors argued that the hydrodynamic contributions to the suspension stress should not appear in the particle-phase momentum balance, being replaced by a different particle-phase stress. The particle-phase stress proposed by Nott~et~al., while mathematically correct, involves the partitioning of the (non-pairwise-additive) hydrodynamic forces, and care is needed to understand how the force on a chosen particle is affected by a second particle. We show by a simple two-particle calculation what is the proper partitioning, and show that it is consistent thermodynamically and gives the correct equilibrium osmotic pressure of Brownian colloids. Using Stokesian Dyanmics suspension rheology, we quantitatively demonstrate that the hydrodynamic contribution to the suspension stress is virtually identical to particle-phase stress; the only difference is that the isolated single-particle hydrodynamic stress contribution – the Einstein viscosity correction – must be removed from the suspension stress when used to predict particle flux. Our results validate a key assumption of the SBM and therefore revive its physical foundation.
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Chemical Physics · Cross-listed from cond-mat.mtrl-sci

Accelerated Inorganic Electrides Discovery by Generative Models and Hierarchical Screening

Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic activity. Although they show promise for diverse applications, identifying new electrides remains challenging due to the difficulty of achieving energetically favorable electron localization in crystal cavities. Here, we present an accelerated materials discovery framework that combines physical principles, diffusion-based materials generation with hierarchical thermodynamic and electronic structure screening. Using this workflow, we systematically explored 1,510 binary and 6,654 ternary chemical compositions containing excess valence electrons from electropositive alkaline, alkaline-earth, and early transition metals, and then filtered them with a high throughput validation on both thermodynamical stability and electronic structure analysis. As a result, we have identified 264 new electron rich compounds within 0.05 eV/atom above the convex hull at the density functional theory (DFT) level, including 13 thermodynamically stable electrides. Our approach demonstrates a generalizable strategy for targeted materials discovery in a vast chemical space.
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Chemical Physics

Better without U: Impact of Selective Hubbard U Correction on Foundational MLIPs

The training of foundational machine learning interatomic potentials (fMLIPs) relies on diverse databases with energies and forces calculated using ab initio methods. We show that fMLIPs trained on large datasets such as MPtrj, Alexandria, and OMat24 encode inconsistencies from the Materials Project's selective use of the Hubbard U correction, which is applied to certain transition metals only if O or F atoms are present in the simulation cell. This inconsistent use of +U creates two incompatible potential-energy surfaces (PES): a lower-energy GGA surface and a higher-energy GGA+U one. When trained on both, MLIPs interpolate between them, leading to systematic underbinding, or even spurious repulsion, between U-corrected metals and oxygen- or fluorine-containing species. Models such as MACE-OMAT and -MPA exhibit repulsion between U-corrected metals and their oxides, limiting their value for studying catalysis and oxidation. We link the severity of this pathology to the oxygen number density in U-corrected training configurations. This explains why OMAT-trained models are most affected and suggests the issue might worsen as expanding future datasets increasingly include configurations with low oxygen content, such as those generated through combinatorial exploration of multi-element or defect-containing systems. Our simple per-U-corrected-atom shift aligns PBE+U and PBE energies for identical structures, yielding a smoother PES compared to existing correction schemes, which target phase diagram accuracy. As a result, models trained on datasets with our shift applied exhibit smaller mean absolute errors for the adsorption energies of oxygen on U-corrected elemental slabs. Since datasets omitting +U entirely (e.g. MatPES, MP-ALOE) avoid these pathologies, we recommend excluding +U in future fMLIP datasets. For existing datasets, our post-hoc correction provides a low-cost improvement.
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Fluid Dynamics

Assessing engineering wake models against operational data: insights from the Lillgrund wind farm wake steering campaign

Validating engineering wake models under real-world operational conditions is essential for improving wind farm performance predictions. This study uses a unique dataset from the Lillgrund offshore wind farm, collected during the Horizon 2020 TotalControl campaign, integrating synchronous Supervisory Control and Data Acquisition (SCADA) and Light Detection and Ranging (LiDAR) measurements under both baseline operation and active wake steering conditions. Four analytical wake-model combinations, implemented in the LongSim software developed by DNV, are evaluated using different formulations for velocity deficit, added turbulence, wake superposition and wake deflection. The analysis focuses on time-averaged wake velocity deficit profiles and turbine- and farm-wide power output, normalised by reference velocity and power. Model accuracy is assessed using mean absolute error (MAE) metrics. The models generally reproduce wake deficit trends associated with varying wake overlap under baseline conditions, as well as wake deflection caused by intentional yaw misalignment during wake steering operation. Normalised velocity deficit MAE values range from 7% to 15%, with discrepancies mainly linked to inflow heterogeneity, near-wake complexity and model-specific parameterisations. Power prediction errors increase with farm depth. Model combinations incorporating cumulative wake superposition and refined turbulence formulations show improved agreement with field measurements; however, all models struggle to capture localised flow features. Normalised turbine-level power output MAE ranges from 3% to 23%, while farm-wide power output errors range between -13% and +30%. Accurate farm-level predictions may conceal compensating errors at individual turbines. Future work should focus on improved inflow characterisation and blockage effects to enhance predictive reliability.
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All authors Diego Siguenza-Alvarado, Matthew Harrison, Mohammadreza Mohammadi, Pragya Vishwakarma, Ervin Bossanyi, Lars Landberg, Majid Bastankhah

Optics

Photoionization in KTN deflectors by light in the near-infrared imaging window

Electro-optical deflectors (EODs) offer unparalleled scanning speed for laser-scanning microscopy and other applications, but suffer from limited deflection range. EODs based on potassium tantalate niobate (KTN) crystals feature some of the highest number of resolvable spots. These deflectors rely on internal electric fields generated by trapped electrons to enable beam scanning. However, visible light induces rapid photoionization of trapped charges, thus KTN-based deflectors are typically continuously recharged with a bias voltage that effectively limits the range of the deflector. Recent work has proposed the use of KTN-based EODs for biological imaging with infrared excitation light, but quantitative data on near-infrared photoionization is lacking. Here, we present quantitative measurements of photoionization in KTN deflectors across the NIR-I and NIR-IIa biological imaging windows (700 - 1300 nm), a range that is particularly important for deep tissue imaging and nonlinear microscopy. Using a two-beam polarization interferometer, we measured trapped charge density as a function of photon fluence. We observed that the photoionization rate decreases dramatically with increasing wavelength. The charge density decay curves exhibit multi-exponential behavior that cannot be explained by a single-trap model without recapture, indicating the presence of multiple trap species or substantial recapture. These measurements provide critical quantitative guidance for selecting operating wavelengths and charge-scan duty cycles for KTN-based EODs in near-infrared imaging applications.
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All authors Samuel Stanek, Harishankar Jayakumar, Christopher Warkentin, James Leger, Aaron Kerlin

Plasma Physics · Cross-listed from cs.LG

Conditional Denoising Model as a Physical Surrogate Model

Surrogate modeling for complex physical systems typically faces a trade-off between data-fitting accuracy and physical consistency. Physics-consistent approaches typically treat physical laws as soft constraints within the loss function, a strategy that frequently fails to guarantee strict adherence to the governing equations, or rely on post-processing corrections that do not intrinsically learn the underlying solution geometry. To address these limitations, we introduce the {Conditional Denoising Model (CDM)}, a generative model designed to learn the geometry of the physical manifold itself. By training the network to restore clean states from noisy ones, the model learns a vector field that points continuously towards the valid solution subspace. We introduce a time-independent formulation that transforms inference into a deterministic fixed-point iteration, effectively projecting noisy approximations onto the equilibrium manifold. Validated on a low-temperature plasma physics and chemistry benchmark, the CDM achieves higher parameter and data efficiency than physics-consistent baselines. Crucially, we demonstrate that the denoising objective acts as a powerful implicit regularizer: despite never seeing the governing equations during training, the model adheres to physical constraints more strictly than baselines trained with explicit physics losses.
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All authors José Afonso, Pedro Viegas, Rodrigo Ventura, Vasco Guerra

Plasma Physics

A joint diffusion approach to multi-modal inference in inertial confinement fusion

A combination of physics-based simulation and experiments has been critical to achieving ignition in inertial confinement fusion (ICF). Simulation and experiment both produce a mixture of scalar and images outputs, however only a subset of simulated data are available experimentally. We introduce a generative framework, called JointDiff, which enables predictions of conditional simulation input and output distributions from partial, multi-modal observations. The model leverages joint diffusion to unify forward surrogate modeling, inverse inference, and output imputation into one architecture. We train our model on a large ensemble of three-dimensional Multi-Rocket Piston simulations and demonstrate high accuracy, statistical robustness, and transferability to experiments performed at the National Ignition Facility (NIF). This work establishes JointDiff as a flexible generative surrogate for multi-modal scientific tasks, with implications for understanding diagnostic constraints, aligning simulation to experiment, and accelerating ICF design.
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All authors Michael S. Jones, Justin Kunimune, Daniel Casey, Bogdan Kustowski, Eugene Kur, Kelli Humbird

Chemical Physics

StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms

$\mathtt{StochasticGW}$ is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. $\mathtt{StochasticGW}$ utilizes the stochastic Resolution of the Identity (sROI) technique to enable a massively-parallel implementation with computational costs that scale semi-linearly with system size, allowing the method to access systems with tens of thousands of electrons. We introduce a new implementation, $\mathtt{StochasticGW-GPU}$, for which the main bottleneck steps have been ported to GPUs and which gives substantial performance improvements over previous versions of the code. We showcase the new code by computing band gaps of hydrogenated silicon clusters ($\textrm{S}\textrm{i}_{\textrm{x}}\textrm{H}_{\textrm{y}}$) containing up to 10001 atoms and 35144 electrons, and we obtain individual QP energies with a statistical precision of better than $\pm0.03$ eV with times-to-solution on the order of minutes.
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All authors Phillip S. Thomas, Minh Nguyen, Dimitri Bazile, Tucker Allen, Barry Y. Li, Wenfei Li, Mauro Del Ben, Jack Deslippe, Daniel Neuhauser

Atmospheric and Oceanic Physics

A Tolerance-Based Framework for Spatio-Temporal Forecast Validation Using the gamma-Index

Classical field forecast evaluation relies mainly on local scores such as RMSE or MAE. These metrics severely over-penalize small spatial or temporal displacements of coherent structures, a limitation known as the double-penalty issue and common to many forecasting domains. The present paper introduces a tolerance-based framework built on the three-dimensional gamma index, initially designed for medical dose verification, as a unified acceptance criterion for gridded forecasts. The method embeds explicit margins in space (DTA), time (TTA), and intensity (IDT), and evaluates whether predictions agree with observations within predefined physical bounds rather than through pixel-wise differences only. A synthetic illustration is first used to show why conventional metrics can misrepresent usable forecasts. The approach is then applied to satellite-derived SSI fields to demonstrate operational behaviour on a real dataset. Results confirm that the gamma criterion preserves structural consistency under minor positional noise while isolating physically significant discrepancies. The formulation is generic and can be implemented for any gridded variable provided meaningful tolerances are defined, offering a pragmatic complement to existing spatial verification tools in general forecasting workflows.
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Classical Physics · Cross-listed from astro-ph.GA

The Initial Mass Function as the Equilibrium State of a Variational Process: why the IMF cannot be sampled stochastically

The stellar initial mass function (sIMF) is often treated as a stochastic probability distribution, yet such an interpretation implies Poisson noise that is inconsistent with growing observational evidence. In particular, the observed relation between the mass of the most massive star formed in an embedded cluster and the cluster's total stellar mass supports a deterministic sampling process, known as optimal sampling. However, the physical origin of optimal sampling has not been formally established in the literature. In this work, we show that the stellar mass distribution implied by optimal sampling emerges from applying the Maximum Entropy principle to the fragmentation of star-forming clumps, whose structure is set by density-dependent cooling in the optically thin regime. Here, the maximum entropy leads to unbiased distributions. By applying calculus of variations to minimize the entropy functional obtained assuming fragmentation, we recover the power-law form of the sIMF, and we show that any distribution deviating from the sIMF violates the Maximum Entropy principle. This work provides a first-principles foundation for the deterministic nature of star formation. Thus, the sIMF is the distribution resulting from a maximally unbiased system.
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Accelerator Physics

From Beam to Bedside: Reinforcing Domestic Supply of $^{99}$Mo/$^{99m}$Tc using Novel High-Current D+ Cyclotrons for Compact Neutron Generation and $^{99}$Mo Production

Technetium-99m ($^{99m}$Tc) is essential to more than 16 million diagnostic procedures performed annually in the United States. It is typically acquired on-site from generators containing $^{99}$Mo, in turn produced at nuclear reactor facilities. This supply chain involves multiple points of vulnerability, which can lead to shortages and delays with potentially negative patient outcomes. We report on the development of a new family of cyclotrons originally designed for the IsoDAR neutrino experiment, capable of operating at much higher current than typical cyclotrons. When operated with deuterons at 1.5 MeV/amu and an anticipated continuous beam current of 5 mA, simulations project that such a system would yield $\sim$10$^{13}$ neutrons per second using a thin beryllium target. This neutron yield is sufficient, in principle, to support $^{99}$Mo production without the use of highly enriched uranium or reliance on foreign reactors. Simulations and conceptual design studies suggest that the system's beam dynamics could make it a viable pathway toward decentralized, hospital-based isotope generation. The relatively low energy of the deuterons minimizes activation and safety concerns. This work presents the physics motivation, technical design considerations, and projected neutron yields, outlining a pathway from a neutrino-physics prototype to a biomedical isotope production platform.
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All authors Jarrett Moon, Daniel Winklehner, Jose Alonso, Claire Huchthausen, David McClain, Janet Conrad

Instrumentation and Detectors

Performance of the Particle-Identification Silicon-Telescope Array Coupled with the VAMOS++ Magnetic Spectrometer

The Particle-Identification Silicon-Telescope Array (PISTA) is a new detection system designed for high-resolution studies of the fission process induced by multi-nucleon transfer in inverse kinematics. It is specifically optimized for experiments with the VAMOS++ magnetic spectrometer at GANIL (Grand Accélérateur National d'Ions Lourds). The array comprises eight trapezoidal $\Delta$E-E silicon telescopes arranged in a corolla configuration. Each telescope integrates two single-sided stripped silicon detectors, enabling target-like recoil identification, energy loss measurements, and trajectory reconstruction. Positioned in close proximity to the target, PISTA's compact geometry achieves high-efficiency tracking of target-like recoils produced in multi-nucleon transfer reactions at Coulomb barrier energies. The spatial segmentation of the array allows precise determination of the mass and charge of the target-like nucleus, and excitation energy of fissioning systems. This work presents the particle identification and excitation energy reconstruction performances for the interactions of $^{238}$U beam with $^{12}$C target. An excitation energy resolution of 800 keV (FWHM) was determined together with mass resolution of 1.1% (FWHM). The combination of PISTA and VAMOS++ magnetic spectrometer enables unprecedented investigations of the fission process as a function of the excitation energy of the fissioning nucleus, particularly for exotic systems produced in transfer-induced reactions.
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All authors L. Bégué-Guillou, A. Lemasson, P. Morfouace, D. Ramos, J. Taieb, J.D. Frankland, M. Rejmund, G. Fremont, P. Gangnant, A. Cobo-Zarzuelo, N. Kumar, T. Efremov, A. Chatillon, E. Clément, G. De France, A. Francheteau, I. Jangid, C. Lenain, D. Mauss, T. Tanaka, L. Audoin, M. Caamano, B. Errandonea, M. Godio, D. Gruyer, B. Jacquot, M. Lalande, R. C. Malone, A. Munoz, A. P. D. Ramirez, J. L. Rodríguez-Sánchez, C. Schmitt, O. Syrett, C. Surrault, A. P. Tonchev

Plasma Physics

Compressible Turbulence as a Source of Particle Beams and Ion Bernstein Waves in Collisionless Plasmas

Unraveling the origin of proton beams and ion Bernstein waves is important to understanding kinetic dissipation in the solar wind. Here we focus on their generation mechanisms, rather than their well-studied roles in instabilities and particle heating. We investigate their formation in collisionless plasmas using high-resolution particle-in-cell simulations of compressible turbulence. At magnetohydrodynamic (MHD) scales, compressive fluctuations are damped via transit-time damping (TTD), naturally producing suprathermal electrons and proton beams. At sub-ion scales, quasi-perpendicular fast modes excite multiple branches of ion Bernstein waves, whose properties agree with predictions from the plasma dispersion relation solver. Under solar wind conditions, TTD remains efficient and provides a natural explanation for the super-Alfvénic proton beams measured in situ. Our results demonstrate that compressive fluctuations play a central role in driving cross-scale energy transfer and kinetic dissipation in collisionless plasma turbulence.
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