Chemical Physics
Free complement method with Gaussian expanded complements: hierarchical decontraction to mitigate the exponential wall before selection
Cong Wang
The previous work (arXiv:2508.04635) of the free complement (FC) method with Gaussian expanded complement functions adopts the Slater initial wavefunction. This may introduce an exponential complexity of the variational coefficients associated to the Gaussian complement functions with respect to the number of electrons at a given order before the overlap
matrix based selection, for more than one Gaussian function used in the expansion. The present work uses decontractions via the distinct exponents introduced by the $g$ functions to avoid this scenario at low order of the FC method. The exponential number of the variational parameters is postponed to higher orders of the FC expansion.
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Optics
Design and analysis of MoTe2-based efficient photonic devices for the solar cell and photodetector applications
Md. Naeemur Rahman, Md. Alamin Hossain Pappu, Md. Islahur Rahman Ebon et al. (+3 more)
A systematic survey and subsequent research have been made on MoTe2-based n-CdS/p-MoTe2/p+-CGS device in
solar cell and photodetector field. The optimization has been established by altering the various properties of each constituent layer through numerical computation. The performance of the MoTe2 photonic device has been probed with and without CGS back surface field (BSF) layer in details. The proposed n-CdS/p-MoTe2/p+-CGS photonic device exhibits markedly improved
cell efficiency, {\eta} of 32.92 % with VOC of 0.97 V, JSC of 41.21 mA/cm2, FF of 82.73% and responsivity, R of 0.74 A/W as well as detectivity, D* of 2.36x1016 Jones at a wavelength of 1000 nm. These simulation outcomes reveal the strong potential of MoTe2 absorber along with the novel and improved structure for highly-efficient
solar cells and photosensors that capable of high detection capability.
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All authors Md. Naeemur Rahman, Md. Alamin Hossain Pappu, Md. Islahur Rahman Ebon, Abdul Kuddus, Dinesh Pathak, Jaker Hossain
Fluid Dynamics
Flow of yield stress fluid in a percolating network
Nathan Abitbol, Alex Hansen, Alberto Rosso et al. (+1 more)
We study the flow of a Bingham yield-stress fluid in a pore network model where the throats have radii drawn from a uniform distribution. We consider the case in which a fraction of the largest radii is blocked. The fluid can flow only through the percolating cluster that exists when the fraction is above the percolation threshold. Two distinct flow regimes are identified: above the percolation threshold the flow curve can be characterized by deterministic values of the critical pressure drop, permeability, and other observables, with subleading fluctuations that we quantify. At the percolation threshold these quantities become non-self-averaging, and their scaling is governed exclusively by the critical percolation backbone, independent of the specific realization of the radii.
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All authors Nathan Abitbol, Alex Hansen, Alberto Rosso, Laurent Talon
Optics
High-Bandwidth 940 nm VCSEL with Zn-diffusion for Optical Communications
Fu-He Hsiao, Yu-Jie Lin, Chia-Jung Tsai et al. (+7 more)
We present a systematic design methodology, combining simulation and experimental validation, for high-speed 940 nm vertical-cavity surface-emitting
lasers (VCSELs). A comprehensive simulation study was conducted to optimize the device structure, focusing on the number of
oxide layers and the aperture size, which predicted a maximum modulation bandwidth of over 35 GHz. To validate this approach, an optimized device with a 4-{\mu}m double-
oxide aperture was fabricated and characterized. Crucially, during the fabrication process, a Zn-diffused region was incorporated to further enhance device performance. The experimental results demonstrate a modulation bandwidth of 34 GHz and successful 100 Gbit/s PAM-4 data transmission. The excellent agreement between the simulated and measured performance validates the effectiveness of our design meth-odology, providing a reliable framework for developing next-generation optical inter-connects.
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All authors Fu-He Hsiao, Yu-Jie Lin, Chia-Jung Tsai, Chia-Chen Li, Yun-Han Chang, Chih-Ting Chang, Jr-Hau He, Chun-Liang Lin, Yu-Heng Hong, Hao-Chung Kuo
General Physics
A Binary Classifier-Based Wire Resistance Attack on the KLJN Secure Key Exchanger
Mehmet Yildirim, Fahrettin Ay and Laszlo B. Kish
The statistical fluctuations of the mean-square noise voltages measured at Alice's and Bob's ends in the KLJN scheme are used to implement a binary classifier for a new type of wire resistance-based attack. The data are plotted on a two-dimensional graph, where the x- and y- axes represent the mean-square voltages at Alice's and Bob's ends, respectively. When the wire resistance is nonzero, the data form distinct lines for the LH and HL cases, allowing Eve to extract the secure bits with nearly 100% success. Further analysis shows that swapping the x and y axes for the LH data reproduces the curve for the HL case, effectively reducing the number of independent measurements by half. These results suggest that machine learning tools could exploit this property for enhanced detection performance, although such methods are unnecessary here since the LH and HL cases are completely separable. The only effective defense against this attack remains the traditional approach: properly increase the noise temperature on the side with lower resistance, or equivalently, scale down the noise temperature on the higher-resistance side. All claims are confirmed through computer simulations.
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Atomic Physics · Cross-listed from cond-mat.quant-gas
Tuning Topological Charge and Gauge Field Anisotropy in a Spin-1 Synthetic Monopole
Nicholas Milson, Arina Tashchilina, Kathleen Tamura et al. (+2 more)
Higher-dimensional
Hilbert spaces in
quantum simulation, as in all
quantum science, expand the range of accessible phenomena. In this work, we experimentally realize a synthetic monopole using an ultracold
spin-1 ensemble, where the monopole charge is quantified by the topologically invariant first Chern number and sources a synthetic
magnetic field quantified by the Berry
curvature. By using a three-level system with tunable
spin-tensor coupling, we introduce anisotropy to the field, directly measure the Chern number, and observe a topological phase transition. We verify the robustness of the monopole's topological charge under deformation, and observe signatures of the topological phases using
spin-texture and Majorana-
star measurements. This work demonstrates
spin-tensor coupling as a tuning parameter for engineering both
geometric anisotropy and a rich topological phase space.
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All authors Nicholas Milson, Arina Tashchilina, Kathleen Tamura, Douglas Florizone, Lindsay J. LeBlanc
Fluid Dynamics
Nonlinear dynamics involving multiple modes in high-speed transitional boundary layer
Xiao-Bai Li, Yifeng Chen, Chihyung Wen et al. (+1 more)
Extensive studies have investigated the transition mechanism of boundary layers initiated by a single primary instability. In a real-world scenario, however, multiple primary instabilities of different physical nature would coexist and generate more complicated stages of mode–mode interactions. For this scenario, conventional secondary stability analysis may not be applicable. In this work, a general framework is established to decompose the input–output system and to quantify the transfer of energy involving various modes. The linearized governing equation with nonlinear forcings is applied in a Mach 6 boundary layer, where two different types of primary instabilities are added simultaneously. As the primary-wave amplitudes increase to certain threshold, the nonlinear effect causes the saturation of the second mode and secondary growth of the first mode. In the generation stage of each higher-order mode, a specific leading triadic forcing term can be identified. These higher-order waves manifest solely in response to the identified dominant forcing during their generation. At the moderate and late transitional stages, the forcings are, however, not equally transferred to the response via the resolvent operator. In other words, the base-flow-associated resolvent operator exerts different levels of `leverage' to transfer different forcings to responses. The nonlinear energy transfer via triadic forcings also drives the higher-order instability to inherit physical signature from the associated lower-order instability. Finally, the interplay between secondary/tertiary waves and primary waves occurs notably earlier then one may expect, namely before transition onset or in the early transitional region. This differs from the traditional secondary instability analysis that a large-amplitude primary wave is developed first to perform the bi-global analysis in the distorted base flow.
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All authors Xiao-Bai Li, Yifeng Chen, Chihyung Wen, Peixu Guo
Chemical Physics · Cross-listed from cond-mat.mtrl-sci
PFP/MM: A Hybrid Approach Combining a Universal Neural Network Potential with Classical Force Fields for Large-Scale Reactive Simulations
Yu Miyazaki, Atsuhiro Tomita, Akihide Hayashi et al. (+3 more)
Universal machine-learning interatomic potentials (uMLIPs) enable reactive molecular simulations with near-DFT accuracy, yet applying them efficiently to large, realistic condensed-phase systems remains computationally demanding. Here we present PFP/MM, a hybrid approach that combines a uMLIP, PreFerred Potential (PFP), with molecular mechanics (MM) to enable both large-scale and long-time simulations that are challenging for uMLIP-only calculations. Using an alanine dipeptide in explicit water, we achieve multi-ns/day enhanced sampling and obtain a Ramachandran plot consistent with established basins. For an intramolecular nucleophilic addition reaction in a polar solvent environment, we reproduce the expected solvent-induced stabilization in the free-energy profile. We further apply the approach to a cytochrome P450 Compound I hydroxylation reaction and obtain a free-energy landscape consistent with the accepted reaction mechanism. These results demonstrate that uMLIP-based reactive simulations can be applied to diverse condensed-phase processes in large, realistic environments.
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All authors Yu Miyazaki, Atsuhiro Tomita, Akihide Hayashi, So Takamoto, Mizuki Takemoto, Hodaka Mori
Computational Physics · Cross-listed from quant-ph
Qudit Implementation of the Rodeo Algorithm for Quantum Spectral Filtering
Julio Cesar Siqueira Rocha and Rodrigo Alves Dias
Qudits, the multi-level generalization of
qubits, provide a natural extension of the binary paradigm in
quantum computation and offer new opportunities to enhance algorithmic performance. Beyond their direct applicability to the simulation of multi-level
quantum systems, higher-dimensional ancillae can improve sampling efficiency in
quantum algorithms by enabling the simultaneous implementation of multiple control operations, thereby reducing
circuit complexity. In this work, we pursue three main objectives. First, we present a formulation of the Rodeo
algorithm employing a general $d$-level ancilla qudit. Second, we introduce the concept of the Rodeo kernel, defined as a two-frequency interferometer, which acts as a spectral filter in the energy domain. Finally, we propose a microcanonical protocol for the Rodeo
algorithm. This protocol enables the estimation of entropic quantities through a single energy sweep and admits a natural interpretation as a Gaussian convolution of the density of states. To support the theoretical analysis, we perform numerical evaluations of the corresponding
quantum circuit using ancilla qudits of dimensions three, four, and five. The simulations are performed for the one-dimensional Ising model, considering both
spin-$\sfrac{1}{2}$ and
spin-$1$ particles. The ancilla qutrit implementation exhibits an $18\%$ reduction in fluctuations compared to the
qubit implementation. Our results show that qudits provide a framework for spectral analysis and thermodynamic characterization of multi-level
quantum systems.
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Atomic Physics · Cross-listed from quant-ph
Monolithic Segmented 3D Ion Trap for Quantum Technology Applications
Abhishek Menon, Michael Straus, George Tomaras et al. (+12 more)
Monolithic three-dimensional (3D) Paul traps combine the high-precision microfabrication of two-dimensional (2D) chip traps with the deep trapping potentials and low heating rates characteristic of macroscopic 3D Paul traps, which are typically machined by traditional means and mechanically assembled. However, achieving low motional heating rates and optical access with a high numerical aperture (NA) while maintaining the high
radio-frequency (RF) voltages required for trapping heavy ionic species, such as Yb$^{+}$ and Ba$^{+}$, remains a significant technical challenge. In this work, we present a fused-silica, monolithic segmented 3D Paul trap with an ion-electrode distance of 250 $\mu$m, and stable operation at high RF voltages. We
benchmark the performance of the trap using Yb$^{+}$ ions, demonstrating axially homogeneous trapping potentials spanning over 200 $\mu$m about the axial center of the trap, high multi-directional optical access (up to 0.7 NA), and radial motional heating as low as $\dot{\bar n}=1.1 \pm 0.1 $ quanta/s at radial trap frequencies about 3 MHz near room temperature. Furthermore, we observe a motional Ramsey coherence time, ${T}_{2}$, of about 95 ms for the radial center-of-mass mode. We demonstrate the generation of a two-
qubit Bell state with a parity contrast of ${99.3}^{+0.7} _{-1.5}$% with state preparation and measurement correction. These results establish fused-silica monolithic 3D Paul traps as a scalable, modular platform for
quantum simulation, computation, metrology, and networking with heavy ionic species.
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All authors Abhishek Menon, Michael Straus, George Tomaras, Liam Jeanette, April X. Sheffield, Devon Valdez, Yuanheng Xie, Visal So, De Luo, Midhuna Duraisamy Suganthi, Mark Dugan, Philippe Bado, Norbert M. Linke, Guido Pagano, Roman Zhuravel
Biological Physics
On the Analytic Origin of Two Species of Cochlear Eigenmodes
Asheesh S. Momi, Isabella R. Graf, Michael C. Abbott et al. (+1 more)
After entering the ear, sound waves propagate as surface waves along the cochlea's basilar membrane. In recent work, we showed numerically that the system supports two types of modes: localized resonant modes, which underpin the modern understanding of cochlear mechanics, and a novel class of spatially extended modes. Here, we develop an analytic framework that explains the emergence of this mode structure. We show that extended modes arise from globally continuous standing-wave solutions, whereas localized modes result from internal resonance requiring matching across a singular point. These results clarify the generic structure of cochlear wave equations.
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All authors Asheesh S. Momi, Isabella R. Graf, Michael C. Abbott, Benjamin B. Machta
Atmospheric and Oceanic Physics
Transition path theory insights into hurricane rapid intensification
F.J. Beron-Vera, G. Bonner, M.J. Olascoaga et al. (+2 more)
We explore hurricane and ocean reanalysis data to understand how rapid intensification (RI) of tropical cyclones is impacted by the upper ocean density structure, with an emphasis on barrier layer (BL) thickness and thermocline depth in the eastern Caribbean Sea and adjacent western tropical North Atlantic. This analysis leverages transition path theory (TPT), supported by basic statistical methods. In TPT, Markov chains are constructed by discretizing data series related to weather system intensity, changes in intensity, translational speed, and BL thickness and thermocline depth. These series are viewed as trajectories in abstract state spaces, following a memoryless
stochastic process. RI imminence is rigorously framed using a newly derived TPT statistic, which gives the time distribution to first reach a target – the RI state – from a source – for instance, the state determined by a certain BL range and system intensity – conditional on connecting paths exhibiting minimal detours. Increased RI frequency is observed in the eastern Caribbean and nearby Atlantic, influenced by river runoff, primarily in tropical storms and category 2 hurricanes. RI frequently correlates with a well-developed BL; however, increased translational speed is necessary for RI. TPT shows a stronger connection between RI and thermocline depth than BL presence, with RI likelihood rising for hurricanes with a thin BL, especially category 1. Across all strength categories, a deep thermocline consistently elevates RI probability, a factor missed by basic statistical analysis. Furthermore, translational speed is crucial, with faster, stronger hurricanes more susceptible to RI, while slower systems are less so.
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All authors F.J. Beron-Vera, G. Bonner, M.J. Olascoaga, S. Dong, H. Lopez
General Physics
Ringdown bounds and spectral density limits from GWTC-3
Christian Balfagon
We establish the first observational bounds on causal nonlocal extensions of
gravity characterized by retarded Stieltjes-type kernels with positive spectral density rho(mu) >= 0, using two complementary gravitational-wave channels. From a
Bayesian ringdown analysis of 17 binary black hole events in the LIGO-Virgo GWTC-3 catalogue, we set an observational ceiling on universal fractional quasi-normal mode deformations of |epsilon_Omega| < 0.05 (90% C.L.), with a cumulative log Bayes factor ln B = -0.46 +/- 0.77. By mapping published GWTC-3 modified dispersion relation bounds together with the GW170817 propagation speed constraint onto the Stieltjes spectral parameter space (mu_char, M0), we exclude a broad class of infrared-extended spectral densities with mu <= 10^{-6} m^{-2}, thereby ruling out non-trivial regions of the nonlocal kernel parameter space for the first time. The theoretically motivated fiducial range mu_char ~ M_*^2 ~ 10^8-10^10 m^{-2} satisfies all current bounds. We further show that sub-millimetre
gravity experiments, which already operate at the predicted causal scale l_* ~ 10^{-4} m, provide the most promising path toward a direct test. These results define quantitative
benchmarks against which future observations across the gravitational-wave, short-range
gravity, and cosmological sectors can be compared.
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