Computational Physics
A fast and rigorous numerical tool to measure length-scale artifacts in molecular simulations
Benedikt M. Reible, Nils Liebreich, Carsten Hartmann et al. (+1 more)
The two-sided Bogoliubov inequality for classical and
quantum many-body systems is a
theorem that provides rigorous bounds on the free-energy cost of partitioning a given system into two or more independent subsystems. This
theorem motivates the definition of a quality factor which directly quantifies the degree of statistical-mechanical consistency achieved by a given simulation box size. A major technical merit of the
theorem is that, for systems with two-body interactions and a known radial distribution function, the quality factor can be computed by evaluating just two six-dimensional integrals. In this work, we present a numerical
algorithm for computing the quality factor and demonstrate its consistency with respect to results in the literature obtained from simulations performed at different box sizes.
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All authors Benedikt M. Reible, Nils Liebreich, Carsten Hartmann, Luigi Delle Site
Optics
Broadly tunable quantum-enhanced Raman microscopy for advancing bioimaging
Dmitrii Akatev, Yijian Meng, Jonathan Brewer et al. (+3 more)
Stimulated Raman scattering (SRS) microscopy has emerged as a powerful technique for probing the spatiotemporal dynamics of molecular bonds with exceptional sensitivity, resolution, and speed. However, classically, its performance remains fundamentally constrained by optical shot noise, which imposes a strict limit on detection sensitivity and speed. Here, we demonstrate a
quantum-enhanced SRS microscopy platform that circumvents this barrier by harnessing amplitude-squeezed light. Specifically, we generate a Stokes beam with $5.2~\mathrm{dB}$ of amplitude squeezing using traveling-wave optical parametric amplification in second-order nonlinear waveguides, and combine it with a tunable coherent pump to access vibrational modes spanning from $1000$ to $3100~\mathrm{cm}^{-1}$. Applied to
quantum imaging of metabolites in biological tissue (pork muscle), our
quantum-enhanced Raman microscope achieves an average noise suppression of $3.6~\mathrm{dB}$ and a $51\%$ enhancement in signal-to-noise ratio (SNR) – to the best of our knowledge, the largest improvement reported to date in
quantum-enhanced SRS microscopy of biological samples.
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All authors Dmitrii Akatev, Yijian Meng, Jonathan Brewer, Maria Chekhova, Ulrik L. Andersen, Mikael Lassen
Computational Physics · Cross-listed from cond-mat.mtrl-sci
Intertwined Hyperferroelectricity, Tunable Multiple Topological Phases and Giant Rashba Effect in Wurtzite LiZnAs
Saurav Patel, Paras Patel, Shaohui Qiu et al. (+1 more)
Composite
quantum compounds offer a fertile ground for uncovering the complex interrelations between seemingly distinct phenomena in condensed matter physics for advanced nonvolatile and spintronics applications. Beyond topological
superconductors and
axion insulators, the idea of intertwined Hyperferroelectricity (HyFE), multiple topological phases and Rashba
spin-splitting with reversible
spin textures represents the local, global and
symmetry-driven characteristics of
quantum materials, respectively, offering unique pathways for enhanced functionalities. We unveiled a unified framework to achieve this synergy through the presence of crystalline
symmetries and
spin-orbit coupling in LiZnAs compound using first-principles calculations. HyFE exhibits ability to maintain spontaneous polarization under open-
circuit boundary conditions, even with existence of depolarization field while Rashba effect exhibits paradigmatic
spin texture in momentum space with tangential vector field. The presence of unstable $A_{2u}(LO)$ mode leads to free energy minimum with significant well depth and polarization of -66 meV and $P_{HyFE} = 0.282~C/m^2$, respectively indicating stable HyFE. The robust HyFE stem from mode-specific effective charges and larger high-frequency dielectric constants. This study also addresses the subtle question of whether critical point of topological phase transition shifts in response to drastically different Rashba
spin-splitting values obtained from VASP and WIEN2k. Moreover, biaxial strain (BAS) induced Weyl semimetal (at 3.4% BAS) and topological insulating phase (after 3.4% BAS) is observed with
giant Rashba coefficient of 5.91 eV Å and 2.42 eV Å, respectively. Furthermore, switching of bulk polarization leads to
spin texture reversal, providing a robust mechanism to leverage
spin degrees of freedom in these Hyperferroelectric Rashba topological materials.
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All authors Saurav Patel, Paras Patel, Shaohui Qiu, Prafulla K. Jha
Data Analysis and Statistics · Cross-listed from cs.LG
MiniFool – Physics-Constraint-Aware Minimizer-Based Adversarial Attacks in Deep Neural Networks
Lucie Flek, Oliver Janik, Philipp Alexander Jung et al. (+8 more)
In this paper, we present a new
algorithm, MiniFool, that implements physics-inspired
adversarial attacks for testing neural network-based classification tasks in particle and astroparticle physics. While we initially developed the
algorithm for the search for astrophysical tau
neutrinos with the IceCube
Neutrino Observatory, we apply it to further data from other science domains, thus demonstrating its general applicability. Here, we apply the
algorithm to the well-known MNIST data set and furthermore, to Open Data data from the CMS experiment at the Large
Hadron Collider. The
algorithm is based on minimizing a cost function that combines a $\chi^2$ based test-statistic with the deviation from the desired target score. The test statistic quantifies the probability of the perturbations applied to the data based on the experimental uncertainties. For our studied use cases, we find that the likelihood of a flipped classification differs for both the initially correctly and incorrectly classified events. When testing changes of the classifications as a function of an attack parameter that scales the experimental uncertainties, the robustness of the network decision can be quantified. Furthermore, this allows testing the robustness of the classification of unlabeled experimental data.
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All authors Lucie Flek, Oliver Janik, Philipp Alexander Jung, Akbar Karimi, Timo Saala, Alexander Schmidt, Matthias Schott, Philipp Soldin, Matthias Thiesmeyer, Christopher Wiebusch, Ulrich Willemsen
Biological Physics · Cross-listed from cs.RO
Thermo-responsive closing and reopening artificial Venus Flytrap utilizing shape memory elastomers
Shun Yoshida, Qingchuan Song, Bastian E. Rapp et al. (+2 more)
Despite their often perceived static and slow nature, some plants can move faster than the blink of an eye. The rapid snap closure motion of the Venus flytrap (Dionaea muscipula) has long captivated the interest of researchers and engineers alike, serving as a model for plant-inspired soft machines and
robots. The translation of the fast snapping closure has inspired the development of various artificial Venus flytrap (AVF) systems. However, translating both the closing and reopening motion of D. muscipula into an autonomous plant inspired soft machine has yet to be achieved. In this study, we present an AVF that autonomously closes and reopens, utilizing novel thermo-responsive UV-curable shape
memory materials for soft robotic systems. The life-sized thermo-responsive AVF exhibits closing and reopening motions triggered in a naturally occurring temperature range. The doubly curved trap lobes, built from shape
memory polymers, close at 38{\deg}C, while reopening initiates around 45{\deg}C, employing shape
memory elastomer strips as antagonistic actuators to facilitate lobe reopening. This work represents the first demonstration of thermo-responsive closing and reopening in an AVF with programmed sequential motion in response to increasing temperature. This approach marks the next step toward autonomously bidirectional moving soft machines/
robots.
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All authors Shun Yoshida, Qingchuan Song, Bastian E. Rapp, Thomas Speck, Falk J. Tauber
Optics
Direct Mapping of Intrinsic Topology of Bound States in the Continuum via Nonlinear Emission
Shuzheng Chen, Hongwei Wang, Zijian He et al. (+7 more)
The direct mapping of the intrinsic
topology in a leaky photonic band is crucial and challenging in topological photonics. For instance, observables in bound states in the continuum (BICs) feature complex topological textures such as a polarization
vortex in momentum space, which nonetheless is difficult to be characterized in far-field scattering, especially considering the dominant direct channel. Here, we propose and experimentally demonstrate a hybrid nonlinear metasurface that enables a direct visualization of the intrinsic
topology in BICs via second-harmonic generation (SHG). The enhanced local-source of SHG from the ultrathin indium tin
oxide can effectively excite the emissions from the eigenmodes of a TiO2 photonics
crystal slab, achieving three-order enhancement of SHG magnitudes. Importantly, these enhanced SH emissions carry topological polarization textures of BICs to the far field. With this, we can directly construct polarization vector maps of
symmetry-protected BICs and
chiral symmetry-broken quasi-BICs, clearly visualizing the winding structure around V points, the generation and
evolution of
chiral C points. This work provides a universal approach for characterizing topological photonic systems via coherent nonlinearity processes, opening new avenues for studying topological phenomena in non-Hermitian photonic systems.
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All authors Shuzheng Chen, Hongwei Wang, Zijian He, Liyu Zhang, Kai Wang, Xu Jiang, Jiaxing Yang, Yuda Wan, Guangwei Hu, Peixiang Lu
Atomic Physics · Cross-listed from quant-ph
Light-induced Frequency Shift and Relaxation of Ground-State 3He via Metastability-Exchange Collisions
L. Y. Wu and H. Yan
Metastability-exchange collisions (MECs) lie at the heart of metastability-exchange optical pumping (MEOP) in 3He, enabling the transfer of polarization from the metastable state to the ground state, as well as the optical detection of
nuclear magnetic resonance. Leveraging MECs, optically pumped 3He
nuclear magnetometers have been developed since the earliest demonstrations of MEOP. However, it also induces an additional frequency shift and relaxation of the
nuclear spin precession, thereby limiting the sensitivity of the magnetometer. In this work, we identify a new source of frequency shift and relaxation in the 3He
nuclear spin, arising from the light shift. This effect arises from an MEC-mediated interaction between light and the nucleon
spin. We develop a theoretical model to describe this light-induced effect and highlight its significance in low
magnetic fields. This effect is experimentally demonstrated, and its dependence on various parameters – including
magnetic field strength, light intensity, and wavelength – is investigated. Our result provides a better understanding of the frequency shift and relaxation of 3He
spin precession under MEOP conditions. Moreover, our experiment reveals an MEC-mediated coupling between the 3He
nuclear spin and light, which may indicate the feasibility of MEC-assisted optical manipulation of 3He
nuclear spins at the
quantum level, as proposed in several theoretical schemes.
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Optics
Temporal Transfer Matrix Method for Exceptional-Point Media via Canonical Basis Expansion
Neng Wang and Guo Ping Wang
We present a generalized temporal transfer
matrix method (TTMM) for time-varying media that accurately captures wave dynamics in media operating at exceptional points (EPs). The method expands wave fields in the canonical basis of each temporal layer and derives the complete time
evolution of all basis vectors. Temporal matching and phase-delay
matrices are constructed from the generalized modal
matrices and their corresponding
eigenvalues. Additionally, an amplitude-boosting
matrix is introduced to account for the power-law amplification of field amplitudes associated with EP dynamics. This
matrix depends only on the order of the EP and naturally reduces to the identity
matrix in its absence. The proposed TTMM is validated through two representative EP media, demonstrating its accuracy and broad applicability.
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Optics · Cross-listed from quant-ph
Super-resolved reconstruction of single-photon emitter locations from $g^{(2)}(0)$ maps
Sonali Gupta, Amit Kumar, Vikas S Bhat et al. (+1 more)
Single-
photon sources are vital for emerging
quantum technologies. In particular, Nitrogen-vacancy (NV) centers in diamond are promising due to their room-temperature stability, long
spin coherence, and compatibility with nanophotonic structures. A key challenge, however, is the reliable identification of isolated NV centers, since conventional confocal microscopy is diffraction-limited and cannot resolve emitter distributions within a focal spot. Besides, the associated intensity scanning is a time-expensive procedure. Here, we introduce a raster-scanned $g^{(2)}(0)$ mapping technique combined with an inversion-based reconstruction
algorithm. By directly measuring local
photon antibunching across the field of view, we extract the effective emitter number within each focal spot and reconstruct occupancy maps on a sub-focal-spot grid. This enables recovery of the number and spatial distribution of emitters within regions smaller than the confocal focal spot, thereby offering possibilities of going beyond the diffraction limit. Our simulations confirm robust reconstruction of NV-center distributions. The method provides a practical diagnostic tool for locating single-
photon sources in an efficient and accurate manner, at much lesser time and effort compared to conventional intensity scanning. It offers valuable feedback for nanophotonic device fabrication, supporting more precise and scalable integration of NV-based
quantum photonic technologies.
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All authors Sonali Gupta, Amit Kumar, Vikas S Bhat, Sushil Mujumdar
Optics
NIR-II Fluorescence Project Technology for Augmented Reality Surgical Navigation
Yuhuang Zhang, Xiaolong Liu, Zihang Liu et al. (+8 more)
NIR-II fluorescence imaging provides superior tissue penetration and clarity, yet its clinical use in
surgical navigation is hindered by a critical workflow issue. Surgeons must divert their
attention between the operative field and external monitors, increasing cognitive load and disrupting procedures. Current strategies have failed to resolve this fundamental problem. Here, we developed a co-axial NIR-II fluorescence projection
navigation system to enable real-time, in situ visualization. This system creates an intraoperative augmented reality by directly projecting high-precision, pseudocolored fluorescence images onto the
surgical field, spatially integrating functional signals with patient anatomy. Validated through in vitro, in vivo, and clinical patient studies, our system eliminates visual field switching, reduces intraoperative distraction, and preserves natural stereoscopic
vision. This approach represents a paradigm shift toward a more coherent, efficient, and ergonomically optimized optical imaging modality for
surgical navigation.
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All authors Yuhuang Zhang, Xiaolong Liu, Zihang Liu, Chao Liu, Jie Yang, Jian Feng, Siying Sun, Zhe Feng, Xiaoxiao Fan, Hui Lin, Jun Qian
Fluid Dynamics
Convective flux analysis on the propagation mechanism of oblique detonation waves
Yunfeng Liu
The aim of this study is to investigate the propagation mechanism of oblique detonation waves using the vector flux analysis method through numerical simulations. A two-dimensional numerical study is conducted on stoichiometric hydrogen-air oblique detonation waves based on the conservative Euler equations and a one-step global chemical reaction model. The wedge angle is 25{\deg}, with a freestream static temperature of 851.5 K, velocity of 2473.4 m/s, and pressure of 42.5 kPa. The motion mechanism of transverse waves is analyzed using the vector flux method. The results show that the oblique detonation front consists of three regions: an induction zone, an overdriven detonation zone, and a transverse-wave region. Under different activation energies, only either upward-propagating or downward-propagating transverse waves exist on the oblique detonation front; the two do not occur simultaneously. At low activation energy, downward-propagating transverse waves dominate, whereas at high activation energy, upward-propagating transverse waves appear.
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Fluid Dynamics · Cross-listed from cs.GR
An Adjoint Method for Differentiable Fluid Simulation on Flow Maps
Zhiqi Li, Jinjin He, Barnabás Börcsök et al. (+6 more)
This paper presents a novel adjoint solver for differentiable fluid simulation based on bidirectional flow maps. Our key observation is that the forward fluid solver and its corresponding backward, adjoint solver share the same flow map as the forward simulation. In the forward pass, this map transports fluid impulse variables from the initial frame to the current frame to simulate vortical dynamics. In the backward pass, the same map propagates adjoint variables from the current frame back to the initial frame to compute gradients. This shared long-range map allows the accuracy of gradient computation to benefit directly from improvements in flow map construction. Building on this insight, we introduce a novel adjoint solver that solves the adjoint equations directly on the flow map, enabling long-range and accurate differentiation of incompressible flows without differentiating intermediate numerical steps or storing intermediate variables, as required in conventional adjoint methods. To further improve efficiency, we propose a long-short time-sparse flow map representation for evolving adjoint variables. Our approach has low
memory usage, requiring only 6.53GB of data at a resolution of $192^3$ while preserving high accuracy in tracking vorticity, enabling new differentiable simulation tasks that require precise identification, prediction, and control of
vortex dynamics.
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All authors Zhiqi Li, Jinjin He, Barnabás Börcsök, Taiyuan Zhang, Duowen Chen, Tao Du, Ming C. Lin, Greg Turk, Bo Zhu
Geophysics
Diffusion Models Bridge Deep Learning and Physics in ENSO Forecasting
Weifeng Xu, Xiang Zhu, Xiaoyong Li et al. (+19 more)
Accurate long-range
forecasting of the El \Nino-Southern Oscillation (ENSO) is vital for global
climate prediction and disaster risk management. Yet, limited understanding of ENSO's physical mechanisms constrains both numerical and deep learning approaches, which often struggle to balance predictive accuracy with physical interpretability. Here, we introduce a data driven model for ENSO prediction based on conditional
diffusion model. By constructing a probabilistic mapping from historical to future states using higher-order Markov chain, our model explicitly quantifies intrinsic uncertainty. The approach achieves extending lead times of state-of-the-art methods, resolving early development signals of the spring predictability barrier, and faithfully reproducing the spatiotemporal
evolution of historical extreme events. The most striking implication is that our analysis reveals that the reverse
diffusion process inherently encodes the classical recharge-discharge mechanism, with its operational dynamics exhibiting remarkable consistency with the governing principles of the van der Pol oscillator equation. These findings establish
diffusion models as a new paradigm for ENSO
forecasting, offering not only superior probabilistic skill but also a physically grounded theoretical framework that bridges data-driven prediction with deterministic dynamical systems, thereby advancing the study of complex geophysical processes.
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All authors Weifeng Xu, Xiang Zhu, Xiaoyong Li, Qiang Yao, Xiaoli Ren, Kefeng Deng, Song Wu, Chengcheng Shao, Xiaolong Xu, Juan Zhao, Chengwu Zhao, Jianping Cao, Jingnan Wang, Wuxin Wang, Qixiu Li, Xiaori Gao, Xinrong Wu, Huizan Wang, Xiaoqun Cao, Weiming Zhang, Junqiang Song, Kaijun Ren
Applied Physics · Cross-listed from cond-mat.mtrl-sci
Strong coupling between coherent ferrons and cavity acoustic phonons
Yujie Zhu, Jiaxuan Wu, Anna N. Morozovska et al. (+7 more)
Coherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in
quantum communication, computing, and sensing. Here, we theoretically demonstrate a new hybridized state resulting from the strong coupling between fundamental-mode (wavenumber is zero) coherent ferrons and cavity bulk acoustic
phonons. Using a van der Waals ferroelectric CuInP2S6 membrane as an example, we predict an ultra-strong ferron-
phonon coupling at room temperature, where the coupling strength g_c reaches over 10% of the resonant frequency {\omega}_0. We also predict an in-situ bistable electric-field control of mode-specific ferron-
phonon hybridization via ferroelectric switching. We further show that CuInP2S6 allows for reaching the fundamentally intriguing but challenging deep strong coupling regime (i.e., g_c/{\omega}_0>1) near the ferroelectric-to-paraelectric phase transition. Our findings establish the theoretical basis for exploiting coherent ferron as a new contender for hybrid
quantum system with strong and highly tunable coherent coupling
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All authors Yujie Zhu, Jiaxuan Wu, Anna N. Morozovska, Eugene A. Eliseev, Yulian M. Vysochanskii, Venkatraman Gopalan, Long-Qing Chen, Xufeng Zhang, Wei Zhang, Jia-Mian Hu
Computational Physics
BzScope: an absolute cross section calculator for neutron-phonon scattering
Ming Tang, Zi-Yi Pan, Ni Yang et al. (+2 more)
BzScope is a Python package designed for efficiently calculating absolute cross sections of
neutron-
phonon inelastic scattering for crystalline powders in large phase spaces, addressing the limitations of traditional histogramming techniques in reproducing sharp structures and ensuring convergence. The package employs an adapted integral method and supports calculations of single- and two-
phonon scattering functions in ideal crystalline powders, with numerical robustness up to a momentum transfer of 100 Ang^-1. Higher order scatterings up to several hundred orders are calculated by incoherent approximation in a well-established thermal
neutron scattering physics package, NCrystal. In addition, a NCrystal plugin is made available for NCrystal-enabled Monte Carlo packages, facilitating direct comparison between the new physics and experimental data. Validation against NCrystal demonstrates good agreement in incoherent scattering for cubic systems Ni. In addition, it shows improved accuracy for low-
symmetry materials $NiP_2$ by avoiding the isotropic atomic displacement approximations in NCrystal.
Benchmarks the experimental differential cross section of LiH and total cross section of Be confirm its reliability. BzScope integrates with NCrystal via a plugin and therefore can be directly used in any NCrystal-enabled Monte Carlo package. This tool enhances the efficiency and accuracy of
neutron scattering simulations, advancing the study of condensed matter dynamics.
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All authors Ming Tang, Zi-Yi Pan, Ni Yang, Thomas Kittelmann, Xiao-Xiao Cai
Atmospheric and Oceanic Physics
Tipping Points and Cascading Transitions: Methods, Principles, and Evidences
Sheng Fang, Ziyan Wang, Jürgen Kurths et al. (+1 more)
This review synthesizes recent advancements in understanding tipping points and cascading transitions within the Earth system, framing them through the lens of nonlinear dynamics and complexity science. It outlines the fundamental concepts of tipping elements, large-scale subsystems like the Atlantic Meridional Overturning Circulation and the Amazon rainforest, and classifies tipping mechanisms into bifurcation-, noise-, and rate-induced types. The article critically evaluates methods for detecting early-warning signals, particularly those based on critical slowing down, while also acknowledging their limitations and the promise of non-conventional indicators. Furthermore, we explore the significant risk of cascading failures between interacting tipping elements, often modeled using conceptual network models. This shows that such interactions can substantially increase systemic risk under global warming. The review concludes by outlining key challenges related to data limitations and methodological robustness, and emphasizes the promising role of artificial intelligence and complex network science in advancing prediction and risk assessment of Earth system tipping dynamics.
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All authors Sheng Fang, Ziyan Wang, Jürgen Kurths, Jingfang Fan
Optics
Higher-order spatiotemporal wave packets with Gouy phase dynamics
Wangke Yu and Yijie Shen
Spatiotemporal (ST) wave packets refer to a broad class of optical pulses whose spatial and temporal dependence cannot be treated separately. Such space time non-separability can induce exotic physical effects such as non-diffraction, non-transverse waves, and sub or superluminal propagation. Here, a family of ST non-separable pulses is presented, where a modal order is proposed to extend their spatiotemporal structural complexity, analogous to the spatial higher-order Gaussian modes. The modal order is strongly coupled to the Gouy phase, which can unveil anomalous spatiotemporal dynamics, including ultrafast cycle-switching
evolution, ST self-healing, and sub- or super-luminal propagation. We further introduce a stretch parameter that stretches the temporal envelope while keeping the Gouy-phase coefficient unchanged. This stretch invariance decouples pulse duration from modal order, allowing us to tune the few-cycle width without shifting temporal-revival positions or altering the phase or group-velocity laws. Moreover, an approach to analyzing the phase velocity and group velocity of the higher-order ST modes is proposed to quantitatively characterize the sub- or supe-luminal effects. The method is universal for a larger group of complex structured ultrafast pulses, laying the basis for both fundamental physics and advanced applications in ultrafast optics and structured light.
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Optics
Intensity and Phase correction Enhanced interferometric scattering microscopy (iSCAT)
Xiang Zhang, Wenfu Lin, Yatao Yang et al. (+1 more)
Interferometric scattering microscopy was widely applied in nanoscopic detection and tracking due to its high sensitivity and label-free manner. The sensitivity is limited by contrast. Oblique illumination provided high contrast with lower power density. However, no model has been established to illustrate the schematic and complex rotation setup was needed. Here, we established a model of contrast and the unexpected reflections both in intensity and phase modulation. Then, the contrast enhancement was verified in oblique illumination. To provide a uniform contrast measurement, the phase map of oblique illumination was calibrated through scanning without the need for rotation. Our work gives new insights in oblique illumination and may inspire new idea to enhance contrast with phase and intensity modulation.
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All authors Xiang Zhang, Wenfu Lin, Yatao Yang, Yifan Wang
Applied Physics
Ar$\chi$i-Textile Composites: Drapable Hybrid Woven Composites for Lightning Strike Protection
Hridyesh Tewani, Vincent Scheerer, Madison Owens et al. (+8 more)
Carbon fiber-reinforced
polymers (CFRPs) have been extensively used in the aerospace and wind energy industries due to their superior specific mechanical properties and corrosion resistance. However, their higher electrical resistivity makes them susceptible to lightning strike damage, which necessitates the addition of a surface lightning strike protection (LSP) layer. Traditional LSP systems, such as copper mesh or expanded foil, reduce lightning strike damage, but are not easily drapable around complex geometries and may introduce delamination-prone regions within the composite. Here, we propose a novel manufacturing strategy for architected hybrid composites as drapable LSP by weaving stainless steel yarns within the woven carbon fiber composites. We varied the metal-to-carbon yarn ratio and stacking configuration to assess damage
evolution under quasi-static arc exposures and simulated lightning strikes. Our results elucidate that incorporating hybrid layers into composites significantly reduced surface temperatures, through-thickness damage, and mass loss under both electric arc impacts. The composites with the proposed LSP layers also exhibited higher retention of flexural modulus and strength compared to the reference CFRP. Advanced air mobility (AAM) vehicles, which operate at lower altitudes, face significant safety challenges due to their high susceptibility to lightning strikes. Therefore, the proposed hybridized composites can be used as an efficient and drapable LSP around complex shapes in AAM vehicles, offering enhanced safety and protection.
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All authors Hridyesh Tewani, Vincent Scheerer, Madison Owens, Emilio Cumbajin, Camila De Leon, MD Rashid Hussain, Pruthul Kokkada Ravindranath, Rachel Van Lear, David Jack, David Wallace, Pavana Prabhakar
Applied Physics
Experimental Investigation of Acoustic Kerker Effect in Labyrinthine Resonators
Iuliia Timankova, Mikhail Smagin, Mikhail Kuzmin et al. (+4 more)
Controlling the directionality of the acoustic scattering with single acoustic metaatoms has a key importance for reaching spatial routing of sound with acoustic metamaterials. In this paper, we present the experimental demonstration of the acoustic analogue of the Kerker effect realized in a two-dimensional coiled-space metaatom. By engineering the interference between monopolar and dipolar resonances within a high-index acoustic metaatom, we achieve directional scattering with suppressed backward or forward response at the first and second Kerker conditions respectively. Experimental measurements of the scattered pressure field, in a parallel-plate waveguide environment, show good agreement with the full-wave simulations. Our results validate the feasibility of Kerker-inspired wave control in acoustic systems and open new opportunities for directional sound manipulation.
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All authors Iuliia Timankova, Mikhail Smagin, Mikhail Kuzmin, Andrey Lutovinov, Andrey Bogdanov, Yong Li, Mihail Petrov
Chemical Physics
Screening in the Heitler-London Model: Revisiting the Bonding and Antibonding States of the Hydrogen Molecule
Washington P. da Silva, Daniel Vieira, Jonas Maziero et al. (+1 more)
The present manuscript revisits one of the earliest approaches to treating molecular systems within the Schrödinger formalism of
quantum mechanics: the Heitler-London (HL) model. Originally proposed in 1927 and based on a linear combination of atomic orbitals, the HL model provided a foundational description of covalent bonds and has served as the basis for numerous variational methods. Focusing on the hydrogen molecule, we begin by revisiting the analytical calculations of the original HL model, from which the qualitative physics of bonding and antibonding states can be obtained. Subsequently, we propose including electronic screening effects directly in the original HL wave function. We then compare our proposal with variational
quantum Monte Carlo (VQMC) calculations, whose trial wave function allows us to optimize the electronic screening potential as a function of the inter-
proton distance. We obtain the bond length, binding energy, and vibrational frequency of the H$_2$ molecule. Beyond revisiting this foundational approach in
quantum mechanics, our proposal can serve as improved input for constructing new, but still analytically simple, variational wave functions to describe dissociation or bond formation.
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All authors Washington P. da Silva, Daniel Vieira, Jonas Maziero, Edgard P. M. Amorim
Chemical Physics
Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energies
Robert A. Lang, Shashank G. Mehendale, Ilya G. Ryabinkin et al. (+1 more)
We introduce the multistate iterative
qubit coupled cluster (MS-iQCC) method, a
quantum-inspired
algorithm that runs efficiently on classical hardware and is designed to predict both ground and excited electronic states of molecules. Accurate excited-state energetics are essential for interpreting spectroscopy and chemical reactivity, but standard electronic structure methods are either too computationally expensive for larger systems or lose reliability in the presence of strong electron correlation. MS-iQCC addresses this challenge by simultaneously optimizing multiple electronic states in a single, state-averaged procedure that treats ground and excited states on equal footing. This removes the energetic bias that is introduced when excited states are computed one at a time and constrained to remain orthogonal to previously optimized states. The approach supports multireference electronic structure by allowing multideterminantal initial guesses and by adaptively building a compact exponential ansatz from a pool of
qubit excitation generators. We apply MS-iQCC to H$_4$, H$_2$O, N$_2$, and C$_2$, including strongly correlated geometries, and observe robust convergence of all targeted state energies to chemically meaningful accuracy across their potential energy surfaces.
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All authors Robert A. Lang, Shashank G. Mehendale, Ilya G. Ryabinkin, Artur F. Izmaylov