Geophysics · Cross-listed from cond-mat.mtrl-sci
Predicting cement microstructure and mechanical properties in hydrating cement paste with a Phase-Field model
Alexandre Sac-Morane, Katerina Ioannidou, Manolis Veveakis et al. (+1 more)
Predicting the evolving microstructure of hydrating cement is essential for understanding and modeling its mechanical property development. Physics-based continuum approaches offer a rigorous framework for capturing the thermodynamics of dissolution and precipitation processes at the microstructural scale. In this work, we present an adapted Phase-Field (PF) model for cement hydration that resolves key physical inconsistencies in existing PF formulations by introducing a revised free-energy potential and distinct
equilibrium constants for clinker dissolution and hydrate precipitation. The resulting PF framework reproduces microstructural
evolution, yielding realistic porosity levels and continuous phase boundaries in close agreement with experimental observations. The predicted hydrated microstructures are subsequently used in a computational homogenization scheme to evaluate the elastic response of the material. The PF-derived mechanical properties show good agreement with experimental trends, supporting the ability of the proposed framework to consistently link hydration chemistry, microstructure formation, and the resulting mechanical response.
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All authors Alexandre Sac-Morane, Katerina Ioannidou, Manolis Veveakis, Hadrien Rattez
Optics
Modeling high-order harmonic generation in quantum dots using a real-space tight-binding approach
Martin Thümmler, Alexander Croy, Ulf Peschel et al. (+1 more)
Recently, the size-dependence of high-order harmonic generation (HHG) in
quantum dots has been investigated experimentally. In particular, for longer driving wavelengths and QDs smaller than 3\,nm, HHG was strongly suppressed, however, there is no computational model capable of describing the strong-field response of such systems. In this work, we introduce a computationally efficient three-dimensional real-space tight-binding model specifically designed for the simulation of HHG in confined systems. The model parameters are meticulously derived from density functional theory (DFT) calculations for the
semiconductor bulk, followed by a process of Wannierization. Our findings demonstrate that the proposed model accurately captures the observed dependency of the HHG yield on the
quantum dot size. Additionally, we simulate the HHG yield for elliptically polarized pulses for different QD-sizes and driving wavelengths up to $5\,\mu{\mathrm{m}}$. The herein proposed model fills the theoretical void in simulating HHG within medium-sized nanostructures, which cannot be described by methods applied for periodic solids or small molecules or atoms.
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All authors Martin Thümmler, Alexander Croy, Ulf Peschel, Stefanie Gräfe
Optics
Extension of interferometric particle imaging to small ice-crystal sizes using the Discrete Dipole Approximation
Marc Brunel, Gilles Demange, Renaud Patte et al. (+1 more)
Interferometric Particle Imaging (IPI) is a powerful technique to characterize aerosol particles, which so far has been applied only to particles larger than about 100 wavelengths. We extend its applicability to smaller ice
crystals, combining rigorous modelling of particle shapes with the Phase Field Modelling and light-scattering simulations with the Discrete Dipole Approximation (DDA). Even for particles with the largest dimension of 11.5 wavelengths (and the smallest one comparable to the wavelength), the 2D
Fourier transform of the interferometric image remains linked to the 2D autocorrelation of the particle shape at various viewing angles, validating the general measurement principle. However, the sensor must necessarily have wide viewing angle, which complicates interpretation of apparent particle shape, when such particles are observed from the edge. IPI is, thus, shown to be a powerful optical technology for characterizing ice particles down to a few micrometers in the atmosphere. Meanwhile, DDA is a versatile method for such synthetic experiments and can further supply large
datasets for development of various inversion methods.
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All authors Marc Brunel, Gilles Demange, Renaud Patte, Maxim Yurkin
Optics
Molecular Photonics Meets OLED Technology: The Untapped Potential of Lanthanide Emitters
Arseny Yu. Gladkikh, Aleksandr Yu. Frolov and Valentina V. Utochnikova
Lanthanide-based emitters are attracting increasing interest for their potential in high-performance OLEDs due to their narrow emission bands, high photostability, and functional versatility. However, their low radiative rates and poor charge transport properties remain key challenges for efficient device integration. Here, we report the design, synthesis, and characterization of dual-emissive Eu3+ - Yb3+ coordination compounds that exhibit temperature-dependent luminescence intensity ratios (LIR) between the visible and near-infrared regions. These materials enable simultaneous optical thermometry and electroluminescence, with LIR values showing excellent agreement with external thermocouple measurements over a broad temperature range. OLED devices incorporating these complexes demonstrate stable operation, and their luminescence properties are further enhanced by integration with engineered plasmonic metasurfaces. This integration leads to a significant increase in emission directionality and a reduction of the excited-state lifetime via Purcell enhancement, without compromising spectral integrity. Our findings highlight the promise of lanthanide-based coordination compounds as multifunctional emitters for next-generation optoelectronic devices and suggest new pathways toward intelligent OLED architectures with integrated sensing and directional control.
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Plasma Physics
Time Evolution of the Pinch Region of a Deflagration Plasma Accelerator
A. A. T. Jibodu, J. D. Strickland and M. A. Cappelli
A spectroscopic study of a
plasma deflagration accelerator was carried out to investigate the temporal
evolution of
plasma density within the pinch region. A half-meter imaging monochromator, paired with a fast (10 MHz) camera operating at 1 MHz, was used to collect broadened chord-integrated spectral lines from the pinch region of a
plasma deflagration device. Specifically, images of the $H_{\beta}$ and the $H_{\alpha}$ lines were taken - with the $H_{\alpha}$ used to find the background continuum. Voigt fits of the Abel inverted H$_{\beta}$ emission lines allowed for determination of the radial profile of the number density in the pinch at intervals of 1 $\mu$s. This provided insight into the formation, growth, and decay of the pinch in both the deflagration and detonation modes of the accelerator. It was found that the maximum density for the deflagration increased from $\sim 10^{20}$ m$^{-3}$ 1.4 cm away from the core of the pinch to $\sim 10^{23}$ m$^{-3}$ at the core of the deflagration pinch. In contrast, the detonation pinch featured a broader zone of relatively constant density on the order of $\sim 10^{20}$ m$^{-3}$. Furthermore, an energy balance of the
plasma in the deflagration pinch and downstream, as informed by prior work, was done to get an estimate of temperatures in the core of the pinch where measurements are not currently possible revealing potential temperatures on the 550 eV in the core of the pinch suggesting departures from some of the assumptions in the analysis.
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Atomic Physics · Cross-listed from quant-ph
Long nuclear spin coherence times for molecules trapped in high-purity solid parahydrogen
Alexandar P. Rollings and Jonathan D. Weinstein
We measure the ensemble transverse relaxation time (T2*) and
spin-echo coherence time (T2) of the
proton spin of HD molecules trapped in solid parahydrogen. By using high-purity parahydrogen
matrices, we are able to measure significantly longer T2 and T2* times than seen in prior work. We also measure the longitudinal
spin relaxation time T1. We examine how these parameters scale with the
matrix purity and find limits on the coherence time from the parahydrogen
matrix itself.
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Computational Physics · Cross-listed from math.NA
A high-order weighted positive and flux conservative method for the Vlasov equation
Takashi Minoshima and Yosuke Matsumoto
We present a high-order conservative, positivity-preserving, and non-oscillatory scheme for solving the Vlasov equation. The scheme attains formal fifth-order accuracy through a convex combination of positive and non-oscillatory
polynomials in substencils. Nonlinear weights for these
polynomials are formulated that assign higher priority to substencils with larger L2 norm to enhance resolution while maintaining positivity and non-oscillatory properties. An approximate dispersion relation indicates that the spectral properties of the present scheme outperform those of an underlying fifth-order scheme and even surpass those of a seventh-order scheme in certain wavenumber ranges. We apply this scheme to the one-dimensional Vlasov-Ampere equations and the two-dimensional Vlasov-Maxwell equations, and demonstrate high-resolution simulations with improved conservation of
entropy.
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Computational Physics · Cross-listed from cond-mat.soft
On the importance of numerical integration details for homogeneous flow simulation
Stephen Sanderson and Debra J. Searles
The Sllod equations of motion enable modeling of homogeneous flow at the atomic scale, and are commonly used to predict fluid properties such as viscosity. However, few publicly available codes support such simulations, and those that do often do not implement a reversible numerical integration scheme or have other subtle problems. Here, we demonstrate a reversible and energy-conserving integration scheme for the Sllod equations of motion with error on the order of $\delta t^3$, in line with typical operator splitting integrators used in standard molecular dynamics simulations. We discuss various implementation details, and implement the scheme in LAMMPS where we find that our changes enable more accurate simulation of transient responses, mixed flows, and steady states, especially at high rates of flow. Importantly, we show that a lack of energy conservation can manifest as a systematic error in the direct ensemble average of the pressure tensor, leading to an error in the calculated viscosity which becomes significant at high flow rates.
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Fluid Dynamics
Analysis and reformulation of the $k$–$\omega$ turbulence model for buoyancy-driven thermal convection
Da-Sol Joo
The representation of buoyancy-driven
turbulence in Reynolds-averaged Navier–Stokes (RANS) models remains unresolved, with no widely accepted standard formulation. A key difficulty is the lack of analytical guidance for incorporating buoyant effects, particularly under unstable stratification. This study derives an analytical solution of the standard $k$–$\omega$ model for Rayleigh–Bénard convection in an infinite layer, where turbulent kinetic energy is generated solely by buoyancy. The solution provides explicit scaling relations among the Rayleigh ($Ra$), Prandtl ($Pr$), and Nusselt ($Nu$) numbers that capture the simulation trends: $Nu \sim Ra^{1/3} Pr^{1/3}$ for $Pr \ll 1$ and $Nu \sim Ra^{1/3} Pr^{-0.415}$ for $Pr \gg 1$. This framework quantifies the discrepancies in the conventional buoyancy treatment and clarifies their origin. Informed by this analysis, the buoyancy-related modeling terms are reformulated to recover the measured trends: namely $Nu \sim Pr^{1/8}$ for $Pr \ll 1$ and $Nu \sim Pr^{0}$ for $Pr \gg 1$ at moderate $Ra$. Only two dimensionless algebraic functions are introduced, which vanish in the absence of buoyancy, ensuring full compatibility with the standard closure. The corrected model is validated across a range of buoyancy-driven flows, including two-dimensional Rayleigh–Bénard convection, internally heated convection in two configurations, unstably stratified Couette flow, and vertically heated natural convection with varying aspect ratios. Across all cases, the corrected model provides significantly improved predictions of mean temperature fields and turbulent heat flux distributions.
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Optics
Programmable Quantum Mode Switches via Plasmonic Toroidal Nanoantennae
Arda Gulucu and Emre Ozan Polat
The ability to switch and program the spectral response of
quantum modes via deterministically located plasmonic nanoantennae presents opportunities for wide spectrum of applications from biosensors to
quantum computing. Due to its
topology, toroidal nanoantenna (TNA) focuses immense amount of three-dimensional (3D) local electric field by toroidal moment while allowing pre and post positioning around
quantum emitters (QEs). Here, within local-response finite difference time domain (FDTD) simulations, we demonstrate high-contrast spectral switching of the radiative decay channel of a dipolar QE coupled to a TNA by introducing effective Lorentzian
quantum objects (QOs). At optimized TNA geometries, Fano interference between the broadband plasmonic continuum and narrow
quantum transitions of QOs suppresses both radiative and non-radiative decay channels near 850 nm, yielding an observable full switching that traps energy within the hybrid mode instead of re-emitting it. To show the promises of the concept, we further demonstrate systems with multiple QOs where spectral degeneracy enhances the transparency bandwidth, while detuning generates distinct minima, enabling individually addressable spectral responses. These results establish plasmonic TNAs as promising architectures for spectral detection and individual mode switching of single- or multi-QO configurations and empowers the user for the implementation of photonic processing of continuous
photon sources.
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Atomic Physics · Cross-listed from cond-mat.mes-hall
Inductive van der Waals Force between Two Quantum Loops
Kicheon Kang
We study the van der Waals-London force, which is typically associated with fluctuating electric dipoles in atoms, in a mesoscopic
circuit consisting of two inductively coupled superconducting loops. We investigate the inductive van der Waals-London interaction using both semiclassical and
quantum electrodynamic (QED) approaches. The semiclassical model predicts a repulsive interaction due to anticorrelated current fluctuations. In contrast, the QED framework, which incorporates virtual
photon exchange, reveals a predominantly attractive force. A key contribution comes from a state-independent two-
photon exchange, which is absent in the semiclassical description and undetectable by spectroscopy. Our study introduces a theoretical framework for exploring the van der Waals force between individual artificial atoms via controlled mesoscopic
circuits.
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Computational Physics · Cross-listed from cs.CE
GPU-native Embedding of Complex Geometries in Adaptive Octree Grids Applied to the Lattice Boltzmann Method
Khodr Jaber, Ebenezer E. Essel and Pierre E. Sullivan
Adaptive mesh refinement (AMR) reduces computational costs in CFD by concentrating resolution where needed, but efficiently
embedding complex, non-aligned geometries on GPUs remains challenging. We present a GPU-native
algorithm for incorporating stationary triangle-mesh geometries into block-structured forest-of-octrees grids, performing both solid voxelization and automated near-wall refinement entirely on the device. The method employs local ray casting accelerated by a hierarchy of spatial bins, leveraging efficient grid-block traversal to eliminate the need for index orderings and hash tables commonly used in CPU pipelines, and enabling coalesced
memory access without CPU-GPU synchronization. A flattened lookup table of cut-link distances between fluid and solid
cells is constructed to support accurate interpolated bounce-back boundary conditions for the
lattice Boltzmann method (LBM). We implement this approach as an extension of the AGAL framework for GPU-based AMR and
benchmark the geometry module using the Stanford Bunny (112K triangles) and XYZ RGB Dragon (7.2M triangles) models from the Stanford 3D Scanning Repository. The extended solver is validated for external flows past a circular/square cylinder (2D, $Re = 100$), and a sphere (3D, $\text{Re}\in\{10, 15, 20\}$). Results demonstrate that geometry handling and interpolation impose modest overhead while delivering accurate force predictions and stable near-wall resolution on adaptive Cartesian grids. The approach is general and applicable to other explicit solvers requiring GPU-resident geometry
embedding.
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Data Analysis and Statistics
Analysis framework for higher-order temporal correlations with applications to human heartbeats
Tibebe Birhanu and Hang-Hyun Jo
We propose a time series analysis framework focused on higher-order temporal correlations in the event sequence beyond the interevent time distribution by employing the burst-tree decomposition method. Bursts are clustered events that rapidly occur within shorter time periods, and they are separated by relatively longer inactive periods. The burst-tree decomposition method exactly maps the event sequence onto a tree, called a burst tree, in which each internal node represents a merge of consecutive bursts at the timescale separating those bursts. The burst tree fully reveals the hierarchical structure of bursts, hence the higher-order temporal correlations for the entire range of timescales. Those correlations are quantified using novel and existing measures derived from the burst tree, such as the burst complexity,
memory coefficient for bursts, and principal and secondary cross sections of the burst-merging kernel. We apply our framework to the heartbeat time series of healthy people and of those with heart disease to reveal distinct multiscale temporal properties in physiological time series.
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Fluid Dynamics
How do trout regulate patterns of muscle contraction to optimize propulsive efficiency during steady swimming
Tao Li, Chunze Zhang, Weiwei Yao et al. (+4 more)
Understanding efficient fish locomotion offers insights for biomechanics, fluid dynamics, and engineering. Traditional studies often miss the link between neuromuscular control and whole-body movement. To explore energy transfer in carangiform swimming, we created a bio-inspired digital trout. This model combined multibody dynamics, Hill-type muscle modeling, and a high-fidelity fluid-structure interaction
algorithm, accurately replicating a real trout's form and properties. Using deep reinforcement learning, the trout's neural system achieved hierarchical spatiotemporal control of muscle activation. We systematically examined how activation strategies affect speed and energy use. Results show that axial myomere coupling-with activation spanning over 0.5 body lengths-is crucial for stable body wave propagation. Moderate muscle contraction duration ([0.1,0.3] of a tail-beat cycle) lets the body and fluid act as a passive damping system, cutting energy use. Additionally, the activation phase lag of myomeres shapes the body wave; if too large, it causes antagonistic contractions that hinder thrust. These findings advance bio-inspired locomotion understanding and aid energy-efficient
underwater system design.
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All authors Tao Li, Chunze Zhang, Weiwei Yao, Junzhao He, Ji Hou, Qin Zhou, Lu Zhang
Optics
Near-field perturbation of laser filament enabling simultaneous far-field THz diagnosis and broadband calculus processing
Jiayu Zhao, Yifu Tian, Linlin Yuan et al. (+6 more)
Terahertz (THz) wave manipulation based on
laser filaments-
plasma channels formed by femtosecond
laser-induced air ionization-has emerged as a promising platform for free-space THz applications. However, in-situ characterization of the spatially confined THz modes within filaments faces significant challenges due to the
plasma's ultra-high intensity, which not only hinders direct near-field probing but also limits reliance on indirect far-field reconstruction. Here, we introduce a non-invasive near-field modulation scheme where a metal plate approaches the filament at submillimeter distances (comparable to THz wavelengths), perturbing the dielectric environment to convert the symmetric annular THz mode into an asymmetric state. This controlled transition enables far-field detection of broadband calculus behaviors (first- and second-order differentiation/integration) on time-domain THz waveforms and characteristic spectral transfer functions with 1/f, 1/f^2, f or f^2 dependency (where f is the THz frequency), thereby diagnosing the near-field THz mode confinement. Hence, the proposed approach synergizes near-field modulation efficiency with far-field detection robustness, advancing fundamental understanding of
plasma-THz interactions and enabling novel all-optical signal processing for filament-based THz technologies.
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All authors Jiayu Zhao, Yifu Tian, Linlin Yuan, Jiajun Yang, Xiaofeng Li, Li Lao, Alexander Shkurinov, Yan Peng, Yiming Zhu
Optics
Metasurface Holography on a Relative-Phase Manifold for Stable and High Fidelity Tweezer-Array Generation
Yichen Zhu, Zifeng Li, Xiaopeng Li et al. (+4 more)
We present a new
holographic approach for generating large scale, polarization resolved optical tweezer arrays. By analyzing the ideal Jones fields that realize a target pattern, we identify that the fundamental degrees of freedom are the relative phases of the individual tweezers, rather than the full spatial phase profile. Leveraging this insight, we formulate a reverse projection optimization that adjusts only a small set of phase parameters to approximate the ideal operator within the physical constraints of a metasurface. This produces significantly higher fidelity and robustness than Gerchberg_Saxton type
algorithms. Experimentally, we demonstrate H, V, L, and R polarized tweezer arrays using a single layer metasurface. A key advantage of our method is its phase stability, yielding strong resistance to optical aberrations and enabling coherent global phase modulation such as forming
vortex tweezer
lattice, without degrading trap quality. This framework provides a conceptually clear and experimentally powerful route for scalable optical field synthesis.
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All authors Yichen Zhu, Zifeng Li, Xiaopeng Li, Jiacheng Sun, Baichuan Yang, Yi Cui, Tao Li