Showing 1–50 of 203 results for author: Deng, Z

Tunable high-charge relativistic electron beams via direct laser acceleration in hohlraum-preheated foam targets

Authors: Ziyao Wang, Jieru Ren, Zhigang Deng, Wenqing Wei, Wei Qi, Olga N. Rosmej, Nikolay E. Andreev, Sergey Yu. Gus'kov, Rafael Yakhin, Yifang Gao, Bubo Ma, Mingzhe Yang, Shizheng Zhang, Xuyang Luo, Dieter H. H. Hoffmann, Peng Zhou, Ke Jiang, Taiwu Huang, Bo Cui, Weiwu Wang, Shaoyi Wang, Quanping Fan, Zhurong Cao, Sixin Wu, Yue Yang , et al. (6 additional authors not shown)

Abstract: Direct laser acceleration (DLA) in near-critical-density (NCD) plasmas can efficiently generate high-charge relativistic electron beams, yet beam parameters depend critically on precise plasma state manipulation. Solid-ablation NCD plasmas evolve rapidly, posing severe controllability challenges. We produce NCD plasma via indirectly heating foam targets with ns laser driven hohlraum soft X-ray. El… ▽ More Direct laser acceleration (DLA) in near-critical-density (NCD) plasmas can efficiently generate high-charge relativistic electron beams, yet beam parameters depend critically on precise plasma state manipulation. Solid-ablation NCD plasmas evolve rapidly, posing severe controllability challenges. We produce NCD plasma via indirectly heating foam targets with ns laser driven hohlraum soft X-ray. Electrons are generated through irradiating the plasma with another picosecond laser. Tuning the laser pulse delay $τ$ enables control of plasma profiles and beam parameters. Experiments show that when the foam is heated ($τ$ = 6 ns, 9 ns), the beam exhibits $T \sim 13$ MeV effective temperature, $E_k \sim 80$ MeV cutoff energy, and hundreds of nC/sr charge for $E_k > 7.5$ MeV. These values are significantly higher than those from solid-foil ($T$ $\sim$ 2.7 MeV, $E_k$ $\sim$ 20 MeV, $Q$ $\sim$ 9 nC/sr) and cold-foam ($T$ $\sim$ 12 MeV, $E_k$ $\sim$ 50 MeV, $Q$ $\sim$ 5 nC/sr) interactions. At a longer delay of $τ$ = 15 ns, the charge increases further while the temperature decreases, and at a shorter delay of $τ$ = 3 ns, both temperature and charge are lower. 3D PIC simulations link these observations to the interplay between the microstructure of the cold foam and the evolving plasma density profile at different delay times, which together determine the beam charge, effective temperature, and divergence. The finding provides a routine to generate and tailor the relativistic electron beams, which is essential for designing laser-driven electron sources for high energy density physics and photonuclear reaction applications. △ Less

Submitted 18 August, 2026; originally announced August 2026.

Superconducting Hydride Mg2RhH6 Experimentally Achieved at Lower Pressure

Authors: Linjing Wu, Zelong Wang, Guiqi Liu, Jun Zhang, Yanfeng Ge, Yuanhao Su, Runteng Chen, Hongyu Liu, Wenmin Li, Sijia Zhang, Jingcheng Zhu, Jianfa Zhao, Zheng Deng, Shaomin Feng, Jing Song, Qingqing Liu, Xiang Li, Haozhe Liu, Panpan Kong, Xiancheng Wang, Changqing Jin

Abstract: Although tremendous progress has been made in recent years in the field of polyhydride superconductors, the realization of high critical temperature superconductivity still relies on formidable high pressures. Searching for superconducting hydrides at lower pressures is of particular importance. Here we report the first experimental synthesis of the Mg2RhH6, which achieves superconductivity under… ▽ More Although tremendous progress has been made in recent years in the field of polyhydride superconductors, the realization of high critical temperature superconductivity still relies on formidable high pressures. Searching for superconducting hydrides at lower pressures is of particular importance. Here we report the first experimental synthesis of the Mg2RhH6, which achieves superconductivity under a significantly reduced pressure of 30 GPa. The synthesis of Mg2RhH6 proceeds via a two step process (1) preparation of the Mg2RhH5 precursor containing hydrogen atoms stabilized by covalent bonds, followed by (2) hydrogen supplementation resulting in the filling of electrons into anti bonding orbitals above 30 GPa, which was accompanied by the structural transition from RhH5 square pyramid to RhH6 octahedron. Superconductivity is achieved at 30 GPa with a Tc of 24 K, which is further enhanced to 29 K at 53 GPa, evidenced by a sharp drop of resistivity to zero and characteristic suppression of Tc under applied magnetic fields. Our experiments prove the Mg2RhH6 superconductor to be thermodynamically stable above 30 GPa, making it the first case exhibiting a Tc of approximately 30 K at a readily accessible pressure. This study pioneers a highly promising pathway for the rational design and discovery of high temperature superconductors within phonon mediated BCS framework. △ Less

Submitted 19 August, 2026; v1 submitted 16 August, 2026; originally announced August 2026.

Comments: 25 pages, 4 figures

MSC Class: 82C27; 82D40; 82D55

Final assessment of radioactive impurities in the JUNO detector

Authors: Thomas Adam, Fengpeng An, Costas Andreopoulos, Giuseppe Andronico, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, João Pedro Athayde Marcondes de André, Didier Auguste, Nikita Balashov, Andrea Barresi, Davide Basilico, Eric Baussan, Marco Beretta, Antonio Bergnoli, Nikita Bessonov, Daniel Bick, Lukas Bieger, Svetlana Biktemerova, Thilo Birkenfeld, Simon Blyth, Manuel Böhles, Anastasia Bolshakova, Mathieu Bongrand, Matteo Borghesi , et al. (549 additional authors not shown)

Abstract: The Jiangmen Underground Neutrino Observatory (JUNO) collaboration has completed the construction of the 20,000-ton liquid scintillator detector and the associated muon veto detector system. To meet the physics objectives, the materials used in the detector must exhibit low radioactive contamination. The single-event rate in the fiducial volume (R $<$ 17.2 m) of the scintillator is required to be… ▽ More The Jiangmen Underground Neutrino Observatory (JUNO) collaboration has completed the construction of the 20,000-ton liquid scintillator detector and the associated muon veto detector system. To meet the physics objectives, the materials used in the detector must exhibit low radioactive contamination. The single-event rate in the fiducial volume (R $<$ 17.2 m) of the scintillator is required to be approximately 7 Hz for energies above 0.7 MeV, resulting in an accidental coincidence background of about 1 event per day for reactor neutrino physics analyses. Since the beginning of the construction phase, we have screened the natural radioactivity content of thousands of materials, to select those that meet the design background budget. The radioactive impurity concentrations of the materials ultimately used in the JUNO detector are summarized in this paper. The construction of the entire detector and the subsequent filling of the liquid scintillator were completed in August 2025. From the initial data, the total count rate of natural radioactivity within the detector's fiducial volume has met the requirements and is sufficient to support the reactor antineutrino analysis. △ Less

Submitted 19 July, 2026; originally announced July 2026.

Efficient photo-ionizing elimination of detrimental electric fields for Rydberg atoms

Authors: Zhou-Chen Deng, Hao-Nan Lin, Yu-Cheng Duan, Qi Zhang, Xiang-Can Cheng, Yang Liu, Zhao-Yang Yuan, Jie Li, Peng Liu, Zhan Wu, Chao-Yang Lu, Jun Rui, Jian-Wei Pan

Abstract: Rydberg atoms are highly sensitive to external electric fields due to their exaggerated electronic properties. This unique feature lays the foundation for many of their applications in quantum science. However, an uncontrolled stray electric field can be detrimental, severely degrading their quantum control. In this work, we demonstrate a universal scheme that relies on the efficient creation of a… ▽ More Rydberg atoms are highly sensitive to external electric fields due to their exaggerated electronic properties. This unique feature lays the foundation for many of their applications in quantum science. However, an uncontrolled stray electric field can be detrimental, severely degrading their quantum control. In this work, we demonstrate a universal scheme that relies on the efficient creation of an in-vacuum plasma source by photo-ionizing laser-cooled atoms to eliminate detrimental electric fields in a Rydberg-atom tweezer array platform, requiring only readily available resources. With this method, we began with a Stark-ionized Rydberg continuum spectrum caused by a large, unknown stray electric field and ultimately recovered stable, coherent excitation of an individual Rydberg state after fully eliminating the field. Our method is directly applicable to existing Rydberg-atom platforms and can also be useful in other experiments sensitive to stray electric fields. △ Less

Submitted 9 July, 2026; originally announced July 2026.

Comments: 11 pages, 11 figures. Comments are welcome

Pulse-to-pulse spectral phase characterization of mid-infrared pulses at megahertz rates

Authors: Zhihao Deng, Zicong Xu, Kazuki Hashimoto, Gabriel Demontigny, Denis V. Seletskiy, Takuro Ideguchi

Abstract: Pulse-resolved spectral phase measurement of mid-infrared (MIR) pulses is essential for many applications, from precise waveform control to ultrafast quantum optics. However, conventional MIR pulse characterization techniques are typically limited to sub-kHz-rate operation, leaving a substantial speed mismatch with MIR sources operating at kHz or MHz rates. Here, we introduce time-stretch upconver… ▽ More Pulse-resolved spectral phase measurement of mid-infrared (MIR) pulses is essential for many applications, from precise waveform control to ultrafast quantum optics. However, conventional MIR pulse characterization techniques are typically limited to sub-kHz-rate operation, leaving a substantial speed mismatch with MIR sources operating at kHz or MHz rates. Here, we introduce time-stretch upconversion-based mid-infrared pulse evaluation (TSUBAME), a technique that enables pulse-to-pulse spectral phase characterization of ultrashort MIR pulses at the laser repetition rate. TSUBAME combines MIR-to-NIR (near-infrared) upconversion, time-stretch, and spectral interferometry to achieve scan-free high-speed spectral phase measurements. We validated the technique by measuring MIR pulses spanning 4.98-5.30 um while introducing well-defined dispersion, obtaining excellent agreement with theoretical predictions. Operating at a measurement rate of 1 MHz, TSUBAME achieves the fastest single-pulse-resolved spectral phase characterization of MIR pulses reported to date. As a further demonstration, we captured dynamic spectral phase variations on a microsecond timescale. TSUBAME provides a powerful tool for real-time monitoring and optimization of high-repetition-rate MIR pulses, with potential applications in strong-field physics, high-harmonic generation, and coherent molecular control. △ Less

Submitted 30 June, 2026; originally announced June 2026.

Observation of stopping power reduction at strong ion-plasma coupling

Authors: Yun Liu, Jieru Ren, Zhigang Deng, Wei Qi, Bubo Ma, Wenqing Wei, Shizheng Zhang, Xuyang Luo, Ziqian Zhao, Mingzhe Yang, Yifang Gao, Xueguang Ren, Jianxing Li, Dieter H. H. Hoffmann, Xing Wang, Zhongfeng Xu, Shaoyi Wang, Quanping Fan, Bo Cui, Weiwu Wang, Sixin Wu, Yue Yang, Zhurong Cao, Zongqing Zhao, Yuqiu Gu , et al. (8 additional authors not shown)

Abstract: Ion stopping in dense plasma is crucial for stellar evolution and fusion ignition. However, its behavior in the strong ion-plasma coupling regime beyond the linear limit has long remained elusive, due to formidable experimental challenges. Here we report the first experimental investigation of ion stopping at an unprecedented coupling parameter exceeding unity, achieved by sending laser-accelerate… ▽ More Ion stopping in dense plasma is crucial for stellar evolution and fusion ignition. However, its behavior in the strong ion-plasma coupling regime beyond the linear limit has long remained elusive, due to formidable experimental challenges. Here we report the first experimental investigation of ion stopping at an unprecedented coupling parameter exceeding unity, achieved by sending laser-accelerated short-pulse and intense quasi-monoenergetic carbon ions ($\sim$583 keV/u, C$^{5+}$) into a uniform, long-lived, well-characterized dense plasma target ($T_e$ $\approx$ 17 eV, $n_e$ $\approx$ 4$\times$10$^{20}$ cm$^{-3}$). By simultaneously measuring ion energy loss and charge-state evolution, we eliminated key experimental ambiguities arising from charge-state determination. Our results clearly show a reduction in stopping power compared with predictions from standard linear dielectric response or binary collision models, and they agree well with the hybrid calculation of molecular dynamics with quantum corrections. The importance of nonlinear screening effects arising from many-body interactions and quantum effects due to the wave nature of electrons was demonstrated at strong coupling. This work establishes a definitive high-fidelity experimental benchmark for collisional dynamics in the strong-coupling regime. It offers critical insight for accurate modeling of energy transport in inertial confinement fusion and astrophysical plasmas. △ Less

Submitted 15 July, 2026; v1 submitted 22 June, 2026; originally announced June 2026.

Finite-Time Electrometry with a Quantum-Regime Single-Ion Phonon Laser

Authors: Pei-Dong Li, Yuan-Zhang Dong, Zhuo-Zhu Wu, Jia-Wei Wang, Ji Li, Jian-Qi Zhang, Zhi-Jiao Deng, Liang Chen, Mang Feng

Abstract: The phonon laser realized in a trapped ion, i.e., a self-sustained mechanical oscillator, has demonstrated the unique characteristics in practically detecting externally applied electric signals without the prerequisite of sideband cooling. Entering the quantum regime via sideband cooling is expected to further improve its sensing performance. Here we report the first experimental realization of a… ▽ More The phonon laser realized in a trapped ion, i.e., a self-sustained mechanical oscillator, has demonstrated the unique characteristics in practically detecting externally applied electric signals without the prerequisite of sideband cooling. Entering the quantum regime via sideband cooling is expected to further improve its sensing performance. Here we report the first experimental realization of a quantum-regime single-ion phonon laser ($\bar{n}<10$) using a trapped $^{40}\mathrm{Ca}^+$ ion and demonstrate electrometry based on its phase-space symmetry-breaking response to weak resonant electric fields. By tuning the phonon-laser parameters, we reveal that the sensing performance is fundamentally governed by the finite-time relaxation dynamics of the underlying open quantum system. We find that a slow Liouvillian relaxation, correlated with the finite experimental interaction window, effectively enhances the dynamic susceptibility while maintaining the structural robustness of the limit cycle. This regime, when applied to the detection of electric fields, produces a shot-noise-limited peak sensitivity of $14.15 \pm 0.77~μ\mathrm{V/m}/\sqrt{\mathrm{Hz}}$ and a minimum detectable field variation of $δE_{\mathrm{min}} \approx 1.83~μ\mathrm{V/m}$. Our results establish quantum phonon lasers as a practical platform for advanced sensing and highlight the central role of Liouvillian dynamics in non-equilibrium electrometry. △ Less

Submitted 18 June, 2026; originally announced June 2026.

Comments: 6 pages, 4 figures; plus Supplementary Materials

Embedded underwater front-end electronics for the 3-inch photomultipliers in the JUNO experiment

Authors: Cédric Cerna, Miao He, Xiaoshan Jiang, Juan Pedro Ochoa-Ricoux, Frédéric Perrot, Angel Abusleme, Thomas Adam, Fengpeng An, Costas Andreopoulos, Giuseppe Andronico, João Pedro Athayde Marcondes de André, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, Didier Auguste, Nikita Balashov, Andrea Barresi, Davide Basilico, Eric Baussan, Marco Beretta, Antonio Bergnoli, Nikita Bessonov, Daniel Bick, Lukas Bieger, Svetlana Biktemerova , et al. (576 additional authors not shown)

Abstract: The Jiangmen Underground Neutrino Observatory (JUNO) is a 20-kton liquid scintillator-based, low-radioactivity, multi-purpose neutrino detector located 693 meters (1800 m.w.e.) underground in the Guangdong province, China. To detect scintillation light produced in the target, the detector is equipped with 17,612 20-inch photomultipliers (PMTs), forming the Large PMT system (LPMT). In addition, 25,… ▽ More The Jiangmen Underground Neutrino Observatory (JUNO) is a 20-kton liquid scintillator-based, low-radioactivity, multi-purpose neutrino detector located 693 meters (1800 m.w.e.) underground in the Guangdong province, China. To detect scintillation light produced in the target, the detector is equipped with 17,612 20-inch photomultipliers (PMTs), forming the Large PMT system (LPMT). In addition, 25,600 3-inch photomultipliers (the Small Photomultiplier System or SPMT) are deployed in the gaps between the LPMTs. This paper presents the design and performance of the underwater front-end electronics developed for the SPMT system. It details the individual electronics boards and their key components, the inter-board interfaces, the system-level design, and the firmware architecture that supports data acquisition and control. It also outlines mechanical and thermal integration, board validation procedures, and system performance metrics. The readout chain includes digitization of 128 PMT channels per unit, synchronized time-stamping, charge measurement, event packaging, and bandwidth management. Comprehensive validation confirms the system's readiness to meet JUNO's stringent physics goals. The underwater electronics achieve noise levels as low as 0.04 photoelectrons with minimal crosstalk (below 0.4%) and a bandwidth of 57 MB/s, ensuring reliable single photo-electron detection and operation under high-rate conditions. The SPMT system has now been fully integrated and installed in JUNO. Its commissioning and physics performance will be reported in a future publication. △ Less

Submitted 1 June, 2026; v1 submitted 28 April, 2026; originally announced April 2026.

Comments: Submitted to Nucl. Instrum. Methods Phys. Res. A

Efficient Generation of Neutrons Based on Ultrashort Laser-driven Direct Acceleration in Microwire-Array Targets

Authors: Kaiyuan Feng, Debin Zou, Bo Cui, Shukai He, Yingzi Dai, Wei Qi, Jinlong Luo, Jie Feng, Xinyan Li, Zehao Chen, Lixiang Hu, Chengyu Qin, Guobo Zhang, Hui Zhang, Zhigang Deng, Xiaohu Yang, Fuqiu Shao, Liangliang Ji, Weiming Zhou, Tongpu Yu

Abstract: We report on an experimental demonstration of efficient neutron generation based on direct laser acceleration in microwire-array targets irradiated by ultrashort (tens of femtoseconds) laser pulses. The optimal array period was identified, at which the maximum proton energy and the number of protons with energies exceeding $1~\mathrm{MeV}$ were significantly increased. Using a $1~\mathrm{PW}$,… ▽ More We report on an experimental demonstration of efficient neutron generation based on direct laser acceleration in microwire-array targets irradiated by ultrashort (tens of femtoseconds) laser pulses. The optimal array period was identified, at which the maximum proton energy and the number of protons with energies exceeding $1~\mathrm{MeV}$ were significantly increased. Using a $1~\mathrm{PW}$, $\sim25~\mathrm{fs}$ laser at a moderate intensity of $\sim10^{20}~\mathrm{W/cm^2}$, a high neutron yield of up to $(8.33\pm0.84)\times10^{6}~\mathrm{n/sr/J}$ was detected from the LiD converter via $^7\mathrm{Li}(p,n)$ and $\mathrm{D}(p,n+p)$ nuclear reactions. Self-consistent integrated simulations reproduced the experimental results and predicted that with a Be converter, a forward pulsed neutron source with an unprecedented yield per joule of $3.67\times10^{7}~\mathrm{n/sr/J}$ can be obtained under identical laser conditions. This type of neutron source is favorable for applications that require a high repetition rate utilizing compact and economical laser systems. △ Less

Submitted 29 April, 2026; v1 submitted 26 April, 2026; originally announced April 2026.

Fractals of Simple Random Walks in Two Dimensions: A Monte Carlo Study

Authors: Jiang Zhou, Ziru Deng, Pengcheng Hou

Abstract: We present a Monte Carlo study of the fractal geometry of clusters formed by discrete-time simple random walks (sRW) of $L^2$ steps on a periodic square $L\times L$ lattice. We verify with high precision that the asymptotic behavior of the cluster mass follows $M/L^2 \simeq (\ln L)^{-1} [\fracπ{2}+b (\ln L)^{-2}]$, with $b\approx -(π/2)^{-2}$, demonstrating marginal ``logarithmic fractals". We fur… ▽ More We present a Monte Carlo study of the fractal geometry of clusters formed by discrete-time simple random walks (sRW) of $L^2$ steps on a periodic square $L\times L$ lattice. We verify with high precision that the asymptotic behavior of the cluster mass follows $M/L^2 \simeq (\ln L)^{-1} [\fracπ{2}+b (\ln L)^{-2}]$, with $b\approx -(π/2)^{-2}$, demonstrating marginal ``logarithmic fractals". We further determine the fractal dimension of the hull to be $d_{\rm hull}=1.333\,29(14)=4/3$, in excellent agreement with the prediction of Schramm-Loewner evolution ($\rm SLE_{8/3}$) for the Brownian frontier universality class. More importantly, we analyze the chemical distance $S$ spanning the cluster and obtain strong evidence that it asymptotically scales as $S\sim L(\ln L)^{1/4}$, lying exactly on the theoretical upper bound for the chemical distance for level-set percolation clusters on the two-dimensional Gaussian free field. Our numerical results show that the sRW cluster exhibits a conformally invariant external frontier and contains highly efficient asymptotically linear connective paths. △ Less

Submitted 23 April, 2026; originally announced April 2026.

The Rise of Quantum Computing -- Take a BITE for Built Environment and Urban Microclimate Research

Authors: Liangzhu Leon Wang, Huiheng Liu, Honghao Fu, Zhipeng Deng, Bing Dong, Naiping Gao

Abstract: Quantum computing is a new approach to computation that utilizes superposition, entanglement, interference, and tunneling to solve problems too complex for classical computers. This paper discusses the basic concepts and development of quantum computing, exploring its potential applications in the built environment and urban microclimate research. In buildings, quantum computing may help optimize… ▽ More Quantum computing is a new approach to computation that utilizes superposition, entanglement, interference, and tunneling to solve problems too complex for classical computers. This paper discusses the basic concepts and development of quantum computing, exploring its potential applications in the built environment and urban microclimate research. In buildings, quantum computing may help optimize energy management, control HVAC systems, and plan electric vehicle charging networks more efficiently. For urban microclimates, it could accelerate renewable energy planning and support multi-objective design, making it easier to balance urban building performance with climate conditions. Since current quantum hardware is still in the Noisy Intermediate-Scale Quantum (NISQ) stage, we propose the "BITE" principle to guide researchers in choosing suitable problems for quantum acceleration: B (Big search), I (Input-light), T (Tiny computation), and E (Evaluation polish). Although quantum computing still faces challenges such as noise and hardware limits, it offers great potential for developing more climate-resilient, sustainable, and energy-efficient cities of the future. △ Less

Submitted 21 April, 2026; v1 submitted 20 April, 2026; originally announced April 2026.

Comments: 16 pages, 3 figures

Journal ref: Build. Simul. (2026) 1-12

Realistic Detector Geometry Modeling and Its Impact on Event Reconstruction in JUNO

Authors: Zhaoxiang Wu, Miao He, Wuming Luo, Ziyan Deng, Wei He, Yuekun Heng, Xiaoping Jing, Bo Li, Xiaoyan Ma, Xiaohui Qian, Zhonghua Qin, Yifang Wang, Peidong Yu

Abstract: JUNO is designed to determine the neutrino mass ordering with an energy resolution of 3% at 1 MeV. In the real detector, however, deformations of the central stainless-steel structure during installation lead to deviations of the photomultiplier tube (PMT) positions from their design values. Based on the limited survey data of the PMTs and the stainless-steel truss, we perform a correlation analys… ▽ More JUNO is designed to determine the neutrino mass ordering with an energy resolution of 3% at 1 MeV. In the real detector, however, deformations of the central stainless-steel structure during installation lead to deviations of the photomultiplier tube (PMT) positions from their design values. Based on the limited survey data of the PMTs and the stainless-steel truss, we perform a correlation analysis of the measured points and propose a method to predict the positions of all PMTs. Using the resulting realistic geometry, we demonstrate that the detector deformation has a negligible effect on the energy reconstruction. In contrast, inaccuracies in the assumed geometry can introduce vertex biases of up to 40 mm. Incorporating the realistic geometry into the calibration-based PMT response model removes this bias and preserves the stability of the reconstruction algorithms. △ Less

Submitted 15 April, 2026; originally announced April 2026.

Comments: 10 pages, 12 figures

A Unified Heterogeneous Implementation of Numerical Atomic Orbitals-Based Real-Time TDDFT within the ABACUS Package

Authors: Taoni Bao, Yuanbo Li, Zichao Deng, Haotian Zhao, Denghui Lu, Yike Huang, Chao Lian, Lixin He, Mohan Chen

Abstract: We present a unified heterogeneous computing framework for real-time time-dependent density functional theory (RT-TDDFT) based on numerical atomic orbitals (NAOs), implemented in the ABACUS package. We introduce three co-designed abstraction layers, including unified data containers, unified linear algebra operators, and unified grid integration interfaces. These layers collectively accelerate the… ▽ More We present a unified heterogeneous computing framework for real-time time-dependent density functional theory (RT-TDDFT) based on numerical atomic orbitals (NAOs), implemented in the ABACUS package. We introduce three co-designed abstraction layers, including unified data containers, unified linear algebra operators, and unified grid integration interfaces. These layers collectively accelerate the two most demanding parts of NAO-based RT-TDDFT: explicit real-time wavefunction propagation and real-space grid operations such as Hamiltonian construction and force evaluation under external fields. We validate the method by computing optical properties for systems ranging from finite molecules to periodic solids, showing excellent agreement with standard benchmarks. Performance evaluations on bulk silicon demonstrate that a single GPU can achieve substantial wall-clock speedup over a fully utilized dual-socket CPU node. Furthermore, distributed multi-GPU strong-scaling tests confirm high parallel efficiency over tens of GPUs. This work establishes a high-performance, portable platform for large-scale first-principles simulations of ultrafast electron dynamics. △ Less

Submitted 3 June, 2026; v1 submitted 23 March, 2026; originally announced March 2026.

Journal ref: Computer Physics Communications 327 (2026) 110260

Delineating hierarchical activity space from high-resolution urban mobility flows

Authors: Zhicheng Deng, Zhaoya Gong, Jean-Claude Thill, Elizabeth C. Delmelle

Abstract: Current studies on activity space are limited by the conceptualization of absolute physical space that fails to consider the heterogeneity of relational spaces reconstructed from spatial interactions of human movements between locations and falls short in incorporating the inherent hierarchical property of human mobility. Consequently, these approaches cannot faithfully reflect how people interact… ▽ More Current studies on activity space are limited by the conceptualization of absolute physical space that fails to consider the heterogeneity of relational spaces reconstructed from spatial interactions of human movements between locations and falls short in incorporating the inherent hierarchical property of human mobility. Consequently, these approaches cannot faithfully reflect how people interact with urban spaces through travels. From the lens of relational space, this study proposes the new Hierarchical Activity Region Model (HARM) to derive the space and hierarchical properties of activity spaces perceived by various urban groups. We demonstrate the enhanced validity of our model on travel behavior in Manhattan, New York City, before, during, and after Hurricane Sandy on the basis of taxi data. Empirical results show that intra-urban travel retains clear hierarchical organization, even under disruption of a major weather event. Yet, travel undergoes a compression effect in travel hierarchies, characterized by fewer hierarchical levels and enlarged characteristic scales, followed by a rebound. Clustering the derived hierarchies reveals pronounced heterogeneity that stems from differences in population profiles; some groups sustain deeper structures or recover quickly, while others experience a persistent loss of levels. This study provides valuable insights into the functional hierarchies of urban mobility, which could inform more sustainable, resilient and equitable urban planning. The proposed methodological framework is generic for studying human mobility in broader contexts. △ Less

Submitted 22 March, 2026; originally announced March 2026.

Comment on "Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets"

Authors: Kshitijkumar A. Surjuse, Zhihao Deng, Andrey Asadchev, Edward F. Valeev

Abstract: In J. Chem. Phys. 152, 144105 (2020) Lehtola et al introduced the efficient Gaussian-basis representation of Superposition of Atomic Potentials (SAP) which "can be easily implemented in any Gaussian-basis quantum chemistry code in terms of two-electron integrals". Here we demonstrate that it is possible to evaluate Gaussian AO representation of SAP by nearly trivial modification of one-electron nu… ▽ More In J. Chem. Phys. 152, 144105 (2020) Lehtola et al introduced the efficient Gaussian-basis representation of Superposition of Atomic Potentials (SAP) which "can be easily implemented in any Gaussian-basis quantum chemistry code in terms of two-electron integrals". Here we demonstrate that it is possible to evaluate Gaussian AO representation of SAP by nearly trivial modification of one-electron nuclear attraction integrals. △ Less

Submitted 17 March, 2026; originally announced March 2026.

Comments: comment on arXiv:2002.02587

Probing mesoscopic nonlocal screening in van der Waals heterostructures with polaritons

Authors: Xuezhi Ma, Zhipeng Li, Ruihuan Duan, Zeyu Deng, Hao Hu, Mengting Jiang, Yueqian Zhang, Xiaoyuan He, Qiushi Liu, Qiyao Liu, Yuan Ma, Fengxia Wei, Jiayu Shi, Chunqi Zheng, Guangwei Hu, Ping Koy Lam, Chengwei Qiu, Yu Luo, Zheng Liu, Qian Wang

Abstract: Predictive optical modelling of van der Waals (vdW) heterostructures is critical for meta-optics, near-field photonics and quantum technologies. At their buried interfaces, charge transfer and spatially extended screening challenge local descriptions based on layer-by-layer stacking of fixed permittivity tensors. However, such nonlocal corrections have been established mainly for plasmonic systems… ▽ More Predictive optical modelling of van der Waals (vdW) heterostructures is critical for meta-optics, near-field photonics and quantum technologies. At their buried interfaces, charge transfer and spatially extended screening challenge local descriptions based on layer-by-layer stacking of fixed permittivity tensors. However, such nonlocal corrections have been established mainly for plasmonic systems at ångström-nanometre scales and are often assumed negligible on optical-wavelength scales. Here we challenge this view by uncovering a mesoscopic nonlocal screening regime, extending up to ~140 nm, at buried charge-transfer interfaces in transition-metal dichalcogenide/α-molybdenum trioxide (TMDC/α-MoO3) phonon-polaritonic heterostructures. Using phonon polaritons as an ultrasensitive probe, we quantify charge transfer from polariton-wavelength shifts and find a thickness-independent saturated response as α-MoO3 is thinned. Rather than merely complicating optical modelling, this nonlocal saturation turns a design-level correction into an opportunity by yielding a transferable cross-material metric. Across more than 120 devices, this metric scales linearly with the work-function difference between the TMDC and α-MoO3. We further identify a lattice-mismatch-set energy threshold for charge transfer, revising Anderson-type band alignment for vdW interfaces. △ Less

Submitted 10 March, 2026; originally announced March 2026.

Colossal low-field negative magnetoresistance in CaAl$_{2}$Si$_{2}$-type diluted magnetic semiconductors (Ba,K)(Cd,Mn)$_{2}$As$_{2}$

Authors: Bijuan Chen, Zheng Deng, Changqing Jin

Abstract: We report the magnetic and magnetotransport properties of the layered CaAl$_2$Si$_2$-type diluted magnetic semiconductor (Ba$_{1-x}$K$_x$)(Cd$_{1-y}$Mn$_y$)$_2$As$_2$ over a broad Mn (spin) substitution range of $0.05 \le y \le 0.5$. K substitution introduces hole carriers, whereas Mn provides local moments, resulting in bulk ferromagnetism with Curie temperatures up to $\sim 17$ K. Intrinsic magn… ▽ More We report the magnetic and magnetotransport properties of the layered CaAl$_2$Si$_2$-type diluted magnetic semiconductor (Ba$_{1-x}$K$_x$)(Cd$_{1-y}$Mn$_y$)$_2$As$_2$ over a broad Mn (spin) substitution range of $0.05 \le y \le 0.5$. K substitution introduces hole carriers, whereas Mn provides local moments, resulting in bulk ferromagnetism with Curie temperatures up to $\sim 17$ K. Intrinsic magnetic ordering is further supported by an anomalous Hall contribution and a specific-heat anomaly near $T_{\mathrm{C}}$. A key performance feature is a colossal negative magnetoresistance: for heavily Mn-doped compositions ($y \ge 0.3$), $\mathrm{MR}=[ρ(H)-ρ(0)]/ρ(0)$ reaches approximately $-100\%$ at 2 K and nearly saturates at a relatively low magnetic field of $\sim 0.35\,\mathrm{T}$. The combination of soft ferromagnetism, strong spin-charge coupling, and low-field MR saturation highlights (Ba,K)(Cd,Mn)$_2$As$_2$ as a promising bulk platform for low-temperature magnetoresistive functionalities. △ Less

Submitted 11 April, 2026; v1 submitted 19 January, 2026; originally announced January 2026.

Comments: 21 pages, 4 figures

Search for Cosmic Ray Electron Boosted Dark Matter with the CDEX-10 Experiment

Authors: R. Xu, L. T. Yang, Q. Yue, K. J. Kang, Y. J. Li, H. P. An, Greeshma C., J. P. Chang, H. Chen, Y. H. Chen, J. P. Cheng, J. Y. Cui, W. H. Dai, Z. Deng, Y. X. Dong, C. H. Fang, H. Gong, Q. J. Guo, T. Guo, X. Y. Guo, L. He, J. R. He, H. X. Huang, T. C. Huang, S. Karmakar , et al. (63 additional authors not shown)

Abstract: We present new constraints on the cosmic ray electron boosted light dark matter (CReDM) using the 205.4 kg$\cdot$day data of the CDEX-10 experiment located at the China Jinping Underground Laboratory. The cosmic ray electron spectrum and distribution in the Galaxy are generated by the $\tt GALPROP$ code package. In the calculation process of DM-electron scattering process in the Galaxy, we conside… ▽ More We present new constraints on the cosmic ray electron boosted light dark matter (CReDM) using the 205.4 kg$\cdot$day data of the CDEX-10 experiment located at the China Jinping Underground Laboratory. The cosmic ray electron spectrum and distribution in the Galaxy are generated by the $\tt GALPROP$ code package. In the calculation process of DM-electron scattering process in the Galaxy, we consider the energy-dependency of the DM-electron scattering cross section. The constraints on CReDM are set for both heavy and light mediator scenarios using the CDEX-10 dataset. The result exceeds previous Standard Halo Model (SHM) limits for DM mass lower than 0.6 MeV in heavy mediator case and corresponds to the best sensitivity among all direct detection experiments from 1 keV to 0.5 MeV in the light mediator scenario. △ Less

Submitted 13 January, 2026; originally announced January 2026.

Comments: 7 pages, 5 figures

A 160 ° x 160 ° Dynamic Holographic Meta-Projector

Authors: Feng-Jun Li, Ruixing Xia, Qianmei Deng, Yuze Lu, Xiangping Li, Fangwen Sun, Dong Zhao, Zi-Lan Deng, Kun Huang

Abstract: Holography can reconstruct immersive light fields for virtual and augmented reality by modulating optical wavefront. Due to huge pixel sizes, current spatial light modulators (SLMs) have small field-of-view (FOV) for holographic displays. Despite various methods for etendue expansion, the largest full-screen FOV for dynamic holography is only 70 ° X 70 °, which remains insufficient for large-scale… ▽ More Holography can reconstruct immersive light fields for virtual and augmented reality by modulating optical wavefront. Due to huge pixel sizes, current spatial light modulators (SLMs) have small field-of-view (FOV) for holographic displays. Despite various methods for etendue expansion, the largest full-screen FOV for dynamic holography is only 70 ° X 70 °, which remains insufficient for large-scale, high-resolution, three-dimensional displays. Here, we report a pixel-interpolation-assisted holographic meta-projector that substantially expands the FOV by integrating multiple subwavelength metasurface pixels within each microscale pixel of a traditional SLM. Leveraging large-angle diffraction of the metasurface and implementing k-space distortion correction for ultra-wide angles, we experimentally demonstrate dynamic holographic image reconstruction with a FOV of 160 ° X 160 ° -equivalent to a system numerical aperture of 0.985-at a high framerate of 60 Hz, surpassing the temporal resolution threshold of human vision. This system represents the state-of-the-art near-full-screen holographic dynamic display, thereby opening the door to high-dynamic-range and large-FOV holographic displays. △ Less

Submitted 27 November, 2025; originally announced November 2025.

Comments: 5 figures

Vehicle-Mounted Mid-Infrared Dual-Comb Spectroscopy for On-Road Trace Gas Detection

Authors: Xutian Jing, Kaiwen Wei, Chenglin Gu, Xiong Qin, Junwei Li, Xingyin Yang, Zhaoting Huang, Jianping Zhang, Chenhao Sun, Chenyu Liu, Zejiang Deng, Zhiwei Zhu, Daping Luo, Wenxue Li, Heping Zeng

Abstract: Advances in mid-infrared (MIR) dual-comb spectroscopy (DCS) have significantly enhanced molecular detection in recent years. The capability of DCS to precisely identify and quantify atmospheric trace gases makes it attractive for field applications across the environmental, agricultural, energy, and industrial sectors. In particular, there is a growing demand for mobile and continuous gas monitori… ▽ More Advances in mid-infrared (MIR) dual-comb spectroscopy (DCS) have significantly enhanced molecular detection in recent years. The capability of DCS to precisely identify and quantify atmospheric trace gases makes it attractive for field applications across the environmental, agricultural, energy, and industrial sectors. In particular, there is a growing demand for mobile and continuous gas monitoring in outdoor environments where emission sources and sinks are often episodic and spatially heterogeneous. However, the practical field-deployment of DCS on mobile platforms under realistic field conditions has remained limited. This study demonstrates for the first time a vehicle-mounted MIR DCS system that enables continuous mobile atmospheric sampling across multiple outdoor sites and road environments. The system exhibited a stable signal-to-noise performance during on-road operation, including expressway driving at speeds up to 100 km/h. Furthermore, natural-gas leakage sources were successfully located and a two-dimensional methane concentration field was reconstructed around a controlled release source. In the future, the system can be integrated into more mobile platforms, such as unmanned aerial vehicles, enabling flexible trace gas detection over urban-scale regions. △ Less

Submitted 10 March, 2026; v1 submitted 25 November, 2025; originally announced November 2025.

Comments: 12 pages, 8 figures

Diffusion Signals Reveal Hidden Connections: A Physics-Inspired Framework for Link Prediction via Personalized PageRank Signals

Authors: Huilin Wang Wenjun Zhang Weibing Deng

Abstract: Link prediction in complex networks--identifying the missing or future connections--remains a cornerstone problem for understanding network evolution and function, yet existing methods struggle to balance computational efficiency with theoretical rigor across heterogeneous topologies. This work introduces a physically principled framework, Diffusion Distance with Personalized PageRank (D-PPR), whi… ▽ More Link prediction in complex networks--identifying the missing or future connections--remains a cornerstone problem for understanding network evolution and function, yet existing methods struggle to balance computational efficiency with theoretical rigor across heterogeneous topologies. This work introduces a physically principled framework, Diffusion Distance with Personalized PageRank (D-PPR), which unifies static topology with dynamic information flow by modeling nodes as signal sources propagating through the network via Personalized PageRank (PPR) vectors. The method quantifies node-pair similarity through the graph Laplacian-governed diffusion distance between their topology-aware signal distributions, thereby bridging microscopic interactions with macroscopic network dynamics. Systematic benchmarking on synthetic (Barabási-Albert, LFR) and seven large-scale real-world networks spanning technology, biology, and social domains demonstrates that D-PPR achieves highly competitive performance, yielding favorable results when compared to representative local and global heuristics, particularly in sparse and modular networks. These findings establish a rigorous foundation for physics-inspired link prediction by revealing that incorporating dynamical processes into structural similarity metrics enables deeper insights into network connectivity patterns, offering both methodological advances and new theoretical perspectives on the interplay between topology and dynamics. △ Less

Submitted 14 November, 2025; originally announced November 2025.

Pressure-Induced Reversal of Thermal Anisotropy in Bi2O2Se

Authors: Zunyi Deng, Wenwen Xuan, Bin Wei, Yongheng Li

Abstract: Bi2O2Se is an emerging semiconductor with intrinsically low thermal conductivity, making it a promising material for thermoelectric applications. Hydrostatic pressure can effectively tunes the thermal conductivity, with various pressure-dependent trends reported. However, its impact on thermal anisotropy, particularly in the highly anisotropic Bi2O2Se, remains poorly understood. Here, we report a… ▽ More Bi2O2Se is an emerging semiconductor with intrinsically low thermal conductivity, making it a promising material for thermoelectric applications. Hydrostatic pressure can effectively tunes the thermal conductivity, with various pressure-dependent trends reported. However, its impact on thermal anisotropy, particularly in the highly anisotropic Bi2O2Se, remains poorly understood. Here, we report a pressure-driven reversal of thermal anisotropy: k_z < k_x at 0 GPa transforms into k_z > k_x at 60 GPa without phase transition. This stems from distinct phonon dispersions along the x- and z-directions under pressure, leading to a reshaped group velocity landscape. Below 10 meV, vz > vx at both pressures, with a much greater advantage at 60 GPa. Above 10 meV, vx > vz at 0 GPa; however, the difference nearly vanishes at 60 GPa. These changes result from anisotropic lattice compression, with the z-axis shrinking more significantly than the x-axis and suppressing the lone pair activity of Bi atoms. This study calls for revisiting the pressure dependence of thermal conductivity anisotropy and provides insights for pressure-driven thermal switching applications. △ Less

Submitted 18 November, 2025; originally announced November 2025.

Comments: 15 pages, 4 figures

Initial performance results of the JUNO detector

Authors: Angel Abusleme, Thomas Adam, Kai Adamowicz, David Adey, Shakeel Ahmad, Rizwan Ahmed, Timo Ahola, Sebastiano Aiello, Fengpeng An, Guangpeng An, Costas Andreopoulos, Giuseppe Andronico, João Pedro Athayde Marcondes de André, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, Burin Asavapibhop, Didier Auguste, Margherita Buizza Avanzini, Andrej Babic, Jingzhi Bai, Weidong Bai, Nikita Balashov, Roberto Barbera, Andrea Barresi , et al. (1114 additional authors not shown)

Abstract: The Jiangmen Underground Neutrino Observatory (JUNO) started physics data taking on 26 August 2025. JUNO consists of a 20-kton liquid scintillator central detector, surrounded by a 35 kton water pool serving as a Cherenkov veto, and almost 1000 m$^2$ of plastic scintillator veto on top. The detector is located in a shallow underground laboratory with an overburden of 1800 m.w.e. This paper present… ▽ More The Jiangmen Underground Neutrino Observatory (JUNO) started physics data taking on 26 August 2025. JUNO consists of a 20-kton liquid scintillator central detector, surrounded by a 35 kton water pool serving as a Cherenkov veto, and almost 1000 m$^2$ of plastic scintillator veto on top. The detector is located in a shallow underground laboratory with an overburden of 1800 m.w.e. This paper presents the performance results of the detector, extensively studied during the commissioning of the water phase, the subsequent liquid scintillator filling phase, and the first physics runs. The liquid scintillator achieved an attenuation length of 20.6 m at 430 nm, while the high coverage PMT system and scintillator together yielded about 1785 photoelectrons per MeV of energy deposit at the detector centre, measured using the 2.223 MeV $γ$ from neutron captures on hydrogen with an Am-C calibration source. The reconstructed energy resolution is 3.4% for two 0.511 MeV $γ$ at the detector centre and 2.9% for the 0.93 MeV quenched Po-214 alpha decays from natural radioactive sources. The energy nonlinearity is calibrated to better than 1%. Intrinsic contaminations of U-238 and Th-232 in the liquid scintillator are below 10$^{-16}$ g/g, assuming secular equilibrium. The water Cherenkov detector achieves a muon detection efficiency better than 99.9% for muons traversing the liquid scintillator volume. During the initial science runs, the data acquisition duty cycle exceeded 97.8%, demonstrating the excellent stability and readiness of JUNO for high-precision neutrino physics. △ Less

Submitted 18 November, 2025; originally announced November 2025.

Comments: 38 pages, 23 figures

Passive Acoustic Monitoring of Underwater Well Leakages with Machine Learning: A Review

Authors: Guanlin Zhu, Zechun Deng, Jiaxin Shen, Junchi Yang

Abstract: Abandoned oil and gas wells pose significant environmental risks due to the potential leakage of hydrocarbons, brine and chemical pollutants. Detecting such leaks remains extremely challenging due to the weak acoustic emission and high ambient noise in the deep sea. This paper reviews the application of passive sonar systems combined with artificial intelligence (AI) in underwater oil and gas leak… ▽ More Abandoned oil and gas wells pose significant environmental risks due to the potential leakage of hydrocarbons, brine and chemical pollutants. Detecting such leaks remains extremely challenging due to the weak acoustic emission and high ambient noise in the deep sea. This paper reviews the application of passive sonar systems combined with artificial intelligence (AI) in underwater oil and gas leak detection. The advantages and limitations of traditional monitoring methods, including fibre optic, capacitive and pH sensors, are compared with those of passive sonar systems. Advanced AI methods that enhance signal discrimination, noise suppression and data interpretation capabilities are explored for leak detection. Emerging solutions such as embedded AI analogue-to-digital converters (ADCs), deep learning-based denoising networks and semantically aware underwater optical communication (UOC) frameworks are also discussed to overcome issues such as low signal-to-noise ratio (SNR) and transmission instability. Furthermore, a hybrid approach combining non-negative matrix factorisation (NMF), convolutional neural networks (CNN) and temporal models (GRU, TCN) is proposed to improve the classification and quantification accuracy of leak events. Despite challenges such as data scarcity and environmental change, AI-assisted passive sonar has shown great potential in real-time, energy-efficient and non-invasive underwater monitoring, contributing to sustainable environmental protection and maritime safety management. △ Less

Submitted 10 November, 2025; originally announced November 2025.

Comments: 10 pages, 5 figures, 4 equations, 1 table

Prospects for geoneutrino detection with JUNO

Authors: Thomas Adam, Shakeel Ahmad, Rizwan Ahmed, Fengpeng An, João Pedro Athayde Marcondes de André, Costas Andreopoulos, Giuseppe Andronico, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, Didier Auguste, Marcel Büchner, Weidong Bai, Nikita Balashov, Andrea Barresi, Davide Basilico, Eric Baussan, Marco Beretta, Antonio Bergnoli, Nikita Bessonov, Daniel Bick, Lukas Bieger, Svetlana Biktemerova, Thilo Birkenfeld, Simon Blyth , et al. (605 additional authors not shown)

Abstract: Geoneutrinos, which are antineutrinos emitted during the decay of long-lived radioactive elements inside Earth, serve as a unique tool for studying the composition and heat budget of our planet. The Jiangmen Underground Neutrino Observatory (JUNO) experiment in China, which has recently completed construction, is expected to collect a sample comparable in size to the entire existing world geoneutr… ▽ More Geoneutrinos, which are antineutrinos emitted during the decay of long-lived radioactive elements inside Earth, serve as a unique tool for studying the composition and heat budget of our planet. The Jiangmen Underground Neutrino Observatory (JUNO) experiment in China, which has recently completed construction, is expected to collect a sample comparable in size to the entire existing world geoneutrino dataset in less than a year. This paper presents an updated estimation of sensitivity to geoneutrinos of JUNO using the best knowledge available to date about the experimental site, the surrounding nuclear reactors, the detector response uncertainties, and the constraints expected from the TAO satellite detector. To facilitate comparison with present and future geological models, our results cover a wide range of predicted signal strengths. Despite the significant background from reactor antineutrinos, the experiment will measure the total geoneutrino flux with a precision comparable to that of existing experiments within its first few years, ultimately achieving a world-leading precision of about 8% over ten years. The large statistics of JUNO will also allow separation of the Uranium-238 and Thorium-232 contributions with unprecedented precision, providing crucial constraints on models of formation and composition of Earth. Observation of the mantle signal above the lithospheric flux will be possible but challenging. For models with the highest predicted mantle concentrations of heat-producing elements, a 3-sigma detection over six years requires knowledge of the lithospheric flux to within 15%. Together with complementary measurements from other locations, the geoneutrino results of JUNO will offer cutting-edge, high-precision insights into the interior of Earth, of fundamental importance to both the geoscience and neutrino physics communities. △ Less

Submitted 10 November, 2025; originally announced November 2025.

Comments: 32 pages, with 13 figures and 5 tables

Constraints on ultraheavy dark matter from the CDEX-10 experiment at the China Jinping Underground Laboratory

Authors: Y. F. Wang, L. T. Yang, Q. Yue, K. J. Kang, Y. J. Li, H. P. An, Greeshma C., J. P. Chang, H. Chen, Y. H. Chen, J. P. Cheng, J. Y. Cui, W. H. Dai, Z. Deng, Y. X. Dong, C. H. Fang, H. Gong, Q. J. Guo, T. Guo, X. Y. Guo, L. He, J. R. He, H. X. Huang, T. C. Huang, S. Karmakar , et al. (63 additional authors not shown)

Abstract: We report a search for ultraheavy dark matter (UHDM) with the CDEX-10 experiment at the China Jinping Underground Laboratory. Using a Monte Carlo framework that incorporates Earth shielding effects, we simulated UHDM propagation and energy deposition in p-type point-contact germanium detectors. Analysis of 205.4 kg$\cdot$day exposure in the 0.16--4.16 keVee range showed no excess above background.… ▽ More We report a search for ultraheavy dark matter (UHDM) with the CDEX-10 experiment at the China Jinping Underground Laboratory. Using a Monte Carlo framework that incorporates Earth shielding effects, we simulated UHDM propagation and energy deposition in p-type point-contact germanium detectors. Analysis of 205.4 kg$\cdot$day exposure in the 0.16--4.16 keVee range showed no excess above background. Our results exclude the spin-independent UHDM-nucleon scattering with two cross section scales, with the UHDM mass from $10^6$ to $10^{11}$ GeV, and provide the most stringent constraints with solid-state detectors below $10^8$ GeV. △ Less

Submitted 28 March, 2026; v1 submitted 24 October, 2025; originally announced October 2025.

Comments: 8 pages, 5 figures. Version updated to match PRD version

Journal ref: Phys. Rev. D 113, 052011 (2026)

Constraints on inelastic dark matter from the CDEX-1B experiment

Authors: Y. F. Liang, L. T. Yang, Q. Yue, K. J. Kang, Y. J. Li, H. P. An, Greeshma C., J. P. Chang, H. Chen, Y. H. Chen, J. P. Cheng, J. Y. Cui, W. H. Dai, Z. Deng, Y. X. Dong, C. H. Fang, H. Gong, Q. J. Guo, T. Guo, X. Y. Guo, L. He, J. R. He, H. X. Huang, T. C. Huang, S. Karmakar , et al. (63 additional authors not shown)

Abstract: We present limits on spin-independent inelastic weakly interacting massive particles (WIMP)-nucleus scattering using the 737.1 kg$\cdot$day dataset from the CDEX-1B experiment. Expected nuclear recoil spectra for various inelastic WIMP masses $m_χ$ and mass splittings $δ$ are calculated under the standard halo model. An accurate background model of CDEX-1B is constructed by simulating all major ba… ▽ More We present limits on spin-independent inelastic weakly interacting massive particles (WIMP)-nucleus scattering using the 737.1 kg$\cdot$day dataset from the CDEX-1B experiment. Expected nuclear recoil spectra for various inelastic WIMP masses $m_χ$ and mass splittings $δ$ are calculated under the standard halo model. An accurate background model of CDEX-1B is constructed by simulating all major background sources. The model parameters are then determined through maximum likelihood estimation and Markov chain Monte Carlo fitting. The resulting 90\% confidence level upper limits on the WIMP-nucleon cross section $σ_{\mathrm{n}}$ exclude certain DAMA/LIBRA allowed regions: the $χ^2 < 4$ regions for $δ< 30$ keV at $m_χ= 250$ GeV and the $χ^2 < 9$ region for $δ< 50$ keV at $m_χ= 500$ GeV. The method is applicable to other inelastic dark matter scenarios, and the upcoming CDEX-50 experiment is expected to improve sensitivity by four orders of magnitude. △ Less

Submitted 31 December, 2025; v1 submitted 9 October, 2025; originally announced October 2025.

Comments: 10 pages, 8 figures. Version updated to match PRD version

Journal ref: Phys. Rev. D 112, 112025 (2025)

Design, waterproofing, and mass production of the 3-inch PMT frontend system of JUNO

Authors: Jilei Xu, Miao He, Cédric Cerna, Yongbo Huang, Thomas Adam, Shakeel Ahmad, Rizwan Ahmed, Fengpeng An, Costas Andreopoulos, Giuseppe Andronico, João Pedro Athayde Marcondes de André, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, Didier Auguste, Weidong Bai, Nikita Balashov, Andrea Barresi, Davide Basilico, Eric Baussan, Marco Beretta, Antonio Bergnoli, Nikita Bessonov, Daniel Bick, Lukas Bieger , et al. (609 additional authors not shown)

Abstract: Over 25,600 3-inch photomultiplier tubes (PMTs) have been instrumented for the central detector of the Jiangmen Underground Neutrino Observatory. Each PMT is equipped with a high-voltage divider and a frontend cable with waterproof sealing. Groups of sixteen PMTs are connected to the underwater frontend readout electronics via specialized multi-channel waterproof connectors. This paper outlines th… ▽ More Over 25,600 3-inch photomultiplier tubes (PMTs) have been instrumented for the central detector of the Jiangmen Underground Neutrino Observatory. Each PMT is equipped with a high-voltage divider and a frontend cable with waterproof sealing. Groups of sixteen PMTs are connected to the underwater frontend readout electronics via specialized multi-channel waterproof connectors. This paper outlines the design and mass production processes for the high-voltage divider, the cable and connector, as well as the waterproof potting of the PMT bases. The results of the acceptance tests of all the integrated PMTs are also presented. △ Less

Submitted 22 January, 2026; v1 submitted 7 October, 2025; originally announced October 2025.

Roadmap towards Personalized Approaches and Safety Considerations in Non-Ionizing Radiation: From Dosimetry to Therapeutic and Diagnostic Applications

Authors: Ilkka Laakso, Margarethus Marius Paulides, Sachiko Kodera, Seungyoung Ahn, Christopher L. Brace, Marta Cavagnaro, Ji Chen, Zhi-De Deng, Valerio De Santis, Yinliang Diao, Lourdes Farrugia, Mauro Feliziani, Serena Fiocchi, Francesco Fioranelli, Takashi Hikage, Sergey Makaroff, Maya Mizuno, Alexander Opitz, Emma Pickwell-MacPherson, Punit Prakash, Dario B. Rodrigues, Kensuke Sasaki, Takuya Sakamoto, Zachary Taylor, Hubregt J. Visser , et al. (2 additional authors not shown)

Abstract: This roadmap provides a comprehensive and forward-looking perspective on the individualized application and safety of non-ionizing radiation (NIR) dosimetry in diagnostic and therapeutic medicine. Covering a wide range of frequencies, i.e., from low-frequency to terahertz, this document provides an overview of the current state of the art and anticipates future research needs in selected key topic… ▽ More This roadmap provides a comprehensive and forward-looking perspective on the individualized application and safety of non-ionizing radiation (NIR) dosimetry in diagnostic and therapeutic medicine. Covering a wide range of frequencies, i.e., from low-frequency to terahertz, this document provides an overview of the current state of the art and anticipates future research needs in selected key topics of NIR-based medical applications. It also emphasizes the importance of personalized dosimetry, rigorous safety evaluation, and interdisciplinary collaboration to ensure safe and effective integration of NIR technologies in modern therapy and diagnosis. △ Less

Submitted 25 September, 2025; originally announced September 2025.

Comments: 101 pages, 5 figures

Amorphization-Mediated Si-I to Si-V Phase Transition and Reversible Amorphous-Si-V Phase Memory in Silicon Nanoparticles

Authors: Ziye Deng, Reza Namakian, Wei Gao

Abstract: Molecular dynamics simulations using a Gaussian Approximation Potential (GAP) reveal a stress triaxiality driven, two-step Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition pathway in a spherical Si nanoparticle with a 10 nm diameter under triaxial compression. A transient amorphous phase first forms at the surface and propagates inward around Si-I core, where stress triaxiality is… ▽ More Molecular dynamics simulations using a Gaussian Approximation Potential (GAP) reveal a stress triaxiality driven, two-step Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition pathway in a spherical Si nanoparticle with a 10 nm diameter under triaxial compression. A transient amorphous phase first forms at the surface and propagates inward around Si-I core, where stress triaxiality is low (shear-dominated). Within the amorphous shell, the material recrystallizes into Si-V at locations of elevated stress triaxiality and hydrostatic pressure. The resulting Si-V structure transforms into a fully amorphous state upon unloading. A subsequent loading-unloading cycle applied to this amorphous nanoparticle reveals a reversible amorphous to Si-V transformation, demonstrating a nanoscale phase memory effect. △ Less

Submitted 13 September, 2025; originally announced September 2025.

Express Diagnostic of Intense Laser-driven MeV Radiation Source using Copper Isotopes

Authors: Mingzhe Yang, Ziyao wang, Jieru Ren, Wenqing Wei, Benzheng Chen, Bubo Ma, Shizheng Zhang, Lirong Liu, Fangfang Li, Jie Xiong, Hongwei Yue, Zeyu Lai, Wenxuan Li, Dietter. H. H. Hoffmann, Olga N. Rosmej, Parysatis Tavana, Nikolay. E Andreev, Iskander. R. Umarov, Zhigang Deng, Wei Qi, Shaoyi Wang, Quanping Fan, Zongqiang Yuan, Weiwu Wang, Bo Cui , et al. (6 additional authors not shown)

Abstract: We explored the generation and diagnosis of high-brightness MeV bremsstrahlung radiation caused by intense beam of relativistic electrons propagating in a tantalum converter. The intense electron beam was produced through direct laser acceleration mechanism in the interaction of relativistic high-power sub-ps laser pulse with near critical density plasma. We propose to detect the divergence angle… ▽ More We explored the generation and diagnosis of high-brightness MeV bremsstrahlung radiation caused by intense beam of relativistic electrons propagating in a tantalum converter. The intense electron beam was produced through direct laser acceleration mechanism in the interaction of relativistic high-power sub-ps laser pulse with near critical density plasma. We propose to detect the divergence angle and photon fluence of high-brightness and high-energy gamma radiation source based on the nuclear activation method. The radioactive 62^Cu was generated through photonuclear reactions 63^Cu(gamma,n) 62^Cu and the subsequent beta^+ decay of 62^Cu was measured to derive characteristics of the gamma radiation source. This method provides an express approach to diagnose the laser-driven MeV radiation source and a potential efficient way to produce 62^Cu isotopes. △ Less

Submitted 8 September, 2025; originally announced September 2025.

Comments: 9 pages, 5 figures, published to NIMA

Efficient and High-Accuracy Ray Tracing in Discretized Ionospheric Models

Authors: Qinglin Li, Wen Liu, Zhigang Zhang, Fengjuan Sun, Rong Chen, Zhongxin Deng, Zhiqiang Yao

Abstract: High-frequency (HF) ray tracing in complex ionospheric media generally involves a fundamental trade-off between path accuracy and computational efficiency, which directly affects practical applications such as over-the-horizon radar, ionospheric monitoring, and HF skywave communication systems. This paper presents RTM-GD, a ray-tracing framework that combines Hamiltonian ray integration with a con… ▽ More High-frequency (HF) ray tracing in complex ionospheric media generally involves a fundamental trade-off between path accuracy and computational efficiency, which directly affects practical applications such as over-the-horizon radar, ionospheric monitoring, and HF skywave communication systems. This paper presents RTM-GD, a ray-tracing framework that combines Hamiltonian ray integration with a continuously differentiable Galerkin--Difference (GD) interpolation strategy. Under discretized ionospheric grid conditions, the electron density is reconstructed as a $C^1$-continuous function within each grid cell, yielding an everywhere differentiable electron-density field for stable numerical integration and improved propagation-path accuracy. Numerical simulations and validations using measured HF oblique sounding data are conducted under diverse conditions, including different ionospheric states, low- and high-elevation angles, multiple operating frequencies, and both ordinary (O) and extraordinary (X) wave modes. Results show that RTM-GD consistently achieves sub-kilometer RMSE in both group-path and ground-distance metrics and sub-0.01-degree azimuth deviation relative to Richardson extrapolation, while reducing computational time by 98\%. Compared with Catmull--Rom interpolation, RTM-GD reduces the RMSEs of ray parameters by approximately one order of magnitude with less than 4\% additional computational cost. Measured-data validation based on ionogram synthesis further shows that the mean relative group-path error remains within 7\%, confirming reliable reproduction of practical HF oblique propagation characteristics. Overall, RTM-GD provides an accurate and computationally efficient framework for HF ray tracing in discretized ionospheric environments. △ Less

Submitted 8 July, 2026; v1 submitted 23 June, 2025; originally announced June 2025.

Comments: 12 pages, 10 figures. Revised to correspond to the accepted manuscript after peer review. Published in IEEE Transactions on Antennas and Propagation as an Early Access article. DOI: 10.1109/TAP.2026.3681396

Internal dynamics and fission of pure-quartic soliton molecules

Authors: Zhixiang Deng, Rui Ma, Chunxiang Zhang, Boris Malomed, Dianyuan Fan, Jingsong He, Jun Liu

Abstract: We address the weak interaction of a pair of well-separated pure-quartic solitons (PQSs), which are solutions to a generalized nonlinear Schrodinger equation (NLSE) with the quartic-only dispersion. An asymptotic technique is applied to derive equations for the slow evolution of the temporal separation and phase difference of the PQSs interacting through the overlapping of their exponentially deca… ▽ More We address the weak interaction of a pair of well-separated pure-quartic solitons (PQSs), which are solutions to a generalized nonlinear Schrodinger equation (NLSE) with the quartic-only dispersion. An asymptotic technique is applied to derive equations for the slow evolution of the temporal separation and phase difference of the PQSs interacting through the overlapping of their exponentially decaying oscillating tails. Based on this approach, various stationary states of bound PQS (soliton molecules) with distinct phase differences are predicted. Their stability is addressed via the numerical calculation of the eigenvalue spectrum of small perturbations, showing instability of the bound states. A systematic numerical analysis demonstrates that the parameter space of the PQS bound states is organized as a self-similar fractal structure, composed of regions populated by robustly oscillating or splitting two-soliton states. The analytical method and results reported here can be extended for bound states of two or several weakly interacting modes in other conservative and dissipative systems. △ Less

Submitted 22 May, 2025; originally announced May 2025.

Comments: 10 pages and 9 figures; To be published in Physical Review A

LaPON: A Lagrange's-mean-value-theorem-inspired operator network for solving PDEs and its application on NSE

Authors: Siwen Zhang, Xizeng Zhao, Zhengzhi Deng, Zhaoyuan Huang, Gang Tao, Nuo Xu, Zhouteng Ye

Abstract: Accelerating the solution of nonlinear partial differential equations (PDEs) while maintaining accuracy at coarse spatiotemporal resolution remains a key challenge in scientific computing. Physics-informed machine learning (ML) methods such as Physics-Informed Neural Networks (PINNs) introduce prior knowledge through loss functions to ensure physical consistency, but their "soft constraints" are u… ▽ More Accelerating the solution of nonlinear partial differential equations (PDEs) while maintaining accuracy at coarse spatiotemporal resolution remains a key challenge in scientific computing. Physics-informed machine learning (ML) methods such as Physics-Informed Neural Networks (PINNs) introduce prior knowledge through loss functions to ensure physical consistency, but their "soft constraints" are usually not strictly satisfied. Here, we propose LaPON, an operator network inspired by the Lagrange's mean value theorem, which embeds prior knowledge directly into the neural network architecture instead of the loss function, making the neural network naturally satisfy the given constraints. This is a hybrid framework that combines neural operators with traditional numerical methods, where neural operators are used to compensate for the effect of discretization errors on the analytical scale in under-resolution simulations. As evaluated on turbulence problem modeled by the Navier-Stokes equations (NSE), the multiple time step extrapolation accuracy and stability of LaPON exceed the direct numerical simulation baseline at 8x coarser grids and 8x larger time steps, while achieving a vorticity correlation of more than 0.98 with the ground truth. It is worth noting that the model can be well generalized to unseen flow states, such as turbulence with different forcing, without retraining. In addition, with the same training data, LaPON's comprehensive metrics on the out-of-distribution test set are at least approximately twice as good as two popular ML baseline methods. By combining numerical computing with machine learning, LaPON provides a scalable and reliable solution for high-fidelity fluid dynamics simulation, showing the potential for wide application in fields such as weather forecasting and engineering design. △ Less

Submitted 18 May, 2025; originally announced May 2025.

Constraints on dark matter boosted by supernova shock within the effective field theory framework from the CDEX-10 experiment

Authors: J. Z. Wang, L. T. Yang, Q. Yue, K. J. Kang, Y. J. Li, H. P. An, Greeshma C., J. P. Chang, H. Chen, Y. H. Chen, J. P. Cheng, W. H. Dai, Z. Deng, C. H. Fang, X. P. Geng, H. Gong, Q. J. Guo, T. Guo, X. Y. Guo, L. He, J. R. He, H. X. Huang, T. C. Huang, S. Karmakar, H. B. Li , et al. (62 additional authors not shown)

Abstract: Supernova shocks can boost dark matter (DM) particles to high, yet nonrelativistic, velocities, providing a suitable mechanism for analysis within the framework of the nonrelativistic effective field theory (NREFT). These accelerated DM sources extend the experimental ability to scan the parameter space of light DM into the sub-GeV region. In this study, we specifically analyze DM accelerated by t… ▽ More Supernova shocks can boost dark matter (DM) particles to high, yet nonrelativistic, velocities, providing a suitable mechanism for analysis within the framework of the nonrelativistic effective field theory (NREFT). These accelerated DM sources extend the experimental ability to scan the parameter space of light DM into the sub-GeV region. In this study, we specifically analyze DM accelerated by the Monogem Ring supernova remnant, whose age ($\sim 68000$ yr) and distance to Earth ($\sim 300$ parsec) are strategically matched to enable detection with current terrestrial detectors. Utilizing the 205.4 kg$\cdot$day data obtained from the CDEX-10 experiment at the China Jinping Underground Laboratory, we derive new constraints on boosted DM within the NREFT framework. The NREFT coupling constant exclusion regions now penetrate the sub-GeV mass range, with optimal sensitivity achieved for operators $\mathcal{O}_{3}$, $\mathcal{O}_{6}$, $\mathcal{O}_{15}$ in the 0.4--0.6 GeV mass range. △ Less

Submitted 18 November, 2025; v1 submitted 4 April, 2025; originally announced April 2025.

Comments: 9 pages, 5 figures. Version updated to match PRD version

Journal ref: Phys. Rev. D 112, 092011 (2025)

First-Principles Investigation of Auxetic Piezoelectric Effect in Nitride Perovskites

Authors: Yanting Peng, Zunyi Deng, Siyu Song, Gang Tang, Jiawang Hong

Abstract: The recently reported auxetic piezoelectric effect, which acts as the electrical counterpart of the negative Poisson's ratio, is of significant technical importance for applications in acoustic wave devices. However, this electric auxetic effect has not yet been reported in perovskite systems. In this work, we employ first-principles calculations to investigate the piezoelectric properties of six… ▽ More The recently reported auxetic piezoelectric effect, which acts as the electrical counterpart of the negative Poisson's ratio, is of significant technical importance for applications in acoustic wave devices. However, this electric auxetic effect has not yet been reported in perovskite systems. In this work, we employ first-principles calculations to investigate the piezoelectric properties of six polar nitride perovskites with the chemical formula ABN3 (A = La, Sc, Y; B = W, Mo). Among these, all compounds except ScMoN3 exhibit the auxetic piezoelectric effect, which is characterized by an unusually positive transverse piezoelectric coefficient, along with a positive longitudinal piezoelectric coefficient. This behavior is in sharp contrast to previously reported results in HfO2, where both the longitudinal and transverse piezoelectric coefficients are negative. These unusual positive transverse piezoelectric coefficients originate from the domination of the positive internal-strain contribution. We further confirm the auxetic piezoelectric effect with finite electric field calculations. Our research enriches the understanding of the piezoelectric properties of nitride perovskites and provides a new compositional space for the design of novel auxetic piezoelectric materials. △ Less

Submitted 28 March, 2025; originally announced March 2025.

Comments: 17 pages, 9 figures

Multi-threaded Simulation Software for the JUNO Experiment

Authors: Peidong Yu, Tao Lin, Ziyan Deng, Guofu Cao, Yuxiang Hu, Simon Charles Blyth, Jiaheng Zou, Weidong Li, Xingtao Huang, Teng Li, Yu Peng

Abstract: The Jiangmen Underground Neutrino Observatory (JUNO) is a multi-purpose experiment under construction in southern China. JUNO aims to determine the neutrino mass ordering and precisely measure the neutrino oscillation parameters by detecting reactor neutrinos from nuclear power plants. In addition to reactor neutrinos, JUNO can study atmospheric neutrinos, solar neutrinos, geo-neutrinos, supernova… ▽ More The Jiangmen Underground Neutrino Observatory (JUNO) is a multi-purpose experiment under construction in southern China. JUNO aims to determine the neutrino mass ordering and precisely measure the neutrino oscillation parameters by detecting reactor neutrinos from nuclear power plants. In addition to reactor neutrinos, JUNO can study atmospheric neutrinos, solar neutrinos, geo-neutrinos, supernova burst neutrinos, the Diffuse Supernova Neutrino Background (DSNB), and nucleon decay, covering an energy range from keV to TeV. JUNO consists of a 20 kton liquid scintillator detector, equipped with 17,612 20-inch PMTs and 25,600 3-inch PMTs, achieving a 3\% energy resolution (at 1~MeV). Precise simulation plays a crucial role in the experiment. Developed using the SNiPER framework and Geant4 toolkit, the JUNO simulation software is a key component of the JUNO offline software (JUNOSW). The large detector size and the broad energy range of interest pose challenges for detector simulation in terms of CPU time and memory consumption. As the computing nodes shift to include multiple integrated CPU cores, traditional single-threaded computing model can lead to large memory footprints and inefficient use of system resources. Multi-threading on many-core architectures can significantly improve resource utilization. This paper introduces the design and implementation of multi-threaded simulation software for the JUNO experiment. △ Less

Submitted 26 March, 2025; originally announced March 2025.

Simulation of the Background from $^{13}$C$(α, n)^{16}$O Reaction in the JUNO Scintillator

Authors: JUNO Collaboration, Thomas Adam, Kai Adamowicz, Shakeel Ahmad, Rizwan Ahmed, Sebastiano Aiello, Fengpeng An, Costas Andreopoulos, Giuseppe Andronico, Nikolay Anfimov, Vito Antonelli, Tatiana Antoshkina, João Pedro Athayde Marcondes de André, Didier Auguste, Weidong Bai, Nikita Balashov, Andrea Barresi, Davide Basilico, Eric Baussan, Marco Beretta, Antonio Bergnoli, Nikita Bessonov, Daniel Bick, Lukas Bieger, Svetlana Biktemerova , et al. (608 additional authors not shown)

Abstract: Large-scale organic liquid scintillator detectors are highly efficient in the detection of MeV-scale electron antineutrinos. These signal events can be detected through inverse beta decay on protons, which produce a positron accompanied by a neutron. A noteworthy background for antineutrinos coming from nuclear power reactors and from the depths of the Earth (geoneutrinos) is generated by ($α, n$)… ▽ More Large-scale organic liquid scintillator detectors are highly efficient in the detection of MeV-scale electron antineutrinos. These signal events can be detected through inverse beta decay on protons, which produce a positron accompanied by a neutron. A noteworthy background for antineutrinos coming from nuclear power reactors and from the depths of the Earth (geoneutrinos) is generated by ($α, n$) reactions. In organic liquid scintillator detectors, $α$ particles emitted from intrinsic contaminants such as $^{238}$U, $^{232}$Th, and $^{210}$Pb/$^{210}$Po, can be captured on $^{13}$C nuclei, followed by the emission of a MeV-scale neutron. Three distinct interaction mechanisms can produce prompt energy depositions preceding the delayed neutron capture, leading to a pair of events correlated in space and time within the detector. Thus, ($α, n$) reactions represent an indistinguishable background in liquid scintillator-based antineutrino detectors, where their expected rate and energy spectrum are typically evaluated via Monte Carlo simulations. This work presents results from the open-source SaG4n software, used to calculate the expected energy depositions from the neutron and any associated de-excitation products. Also simulated is a detailed detector response to these interactions, using a dedicated Geant4-based simulation software from the JUNO experiment. An expected measurable $^{13}$C$(α, n)^{16}$O event rate and reconstructed prompt energy spectrum with associated uncertainties, are presented in the context of JUNO, however, the methods and results are applicable and relevant to other organic liquid scintillator neutrino detectors. △ Less

Submitted 2 May, 2025; v1 submitted 2 March, 2025; originally announced March 2025.

Comments: 25 pages, 14 figures, 4 tables

DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

Authors: Jinzhe Zeng, Duo Zhang, Anyang Peng, Xiangyu Zhang, Sensen He, Yan Wang, Xinzijian Liu, Hangrui Bi, Yifan Li, Chun Cai, Chengqian Zhang, Yiming Du, Jia-Xin Zhu, Pinghui Mo, Zhengtao Huang, Qiyu Zeng, Shaochen Shi, Xuejian Qin, Zhaoxi Yu, Chenxing Luo, Ye Ding, Yun-Pei Liu, Ruosong Shi, Zhenyu Wang, Sigbjørn Løland Bore , et al. (22 additional authors not shown)

Abstract: In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) simulations and related applications. These packages, typically built on specific machine learning frameworks such as TensorFlow, PyTorch, or JAX, face integration challenges when advanced applicat… ▽ More In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) simulations and related applications. These packages, typically built on specific machine learning frameworks such as TensorFlow, PyTorch, or JAX, face integration challenges when advanced applications demand communication across different frameworks. The previous TensorFlow-based implementation of DeePMD-kit exemplified these limitations. In this work, we introduce DeePMD-kit version 3, a significant update featuring a multi-backend framework that supports TensorFlow, PyTorch, JAX, and PaddlePaddle backends, and demonstrate the versatility of this architecture through the integration of other MLPs packages and of Differentiable Molecular Force Field. This architecture allows seamless backend switching with minimal modifications, enabling users and developers to integrate DeePMD-kit with other packages using different machine learning frameworks. This innovation facilitates the development of more complex and interoperable workflows, paving the way for broader applications of MLPs in scientific research. △ Less

Submitted 27 February, 2025; v1 submitted 26 February, 2025; originally announced February 2025.

Journal ref: J. Chem. Theory Comput., 2025

Probabilistic Joint Recovery Method for CO$_2$ Plume Monitoring

Authors: Zijun Deng, Rafael Orozco, Abhinav Prakash Gahlot, Felix J. Herrmann

Abstract: Reducing CO$_2$ emissions is crucial to mitigating climate change. Carbon Capture and Storage (CCS) is one of the few technologies capable of achieving net-negative CO$_2$ emissions. However, predicting fluid flow patterns in CCS remains challenging due to uncertainties in CO$_2$ plume dynamics and reservoir properties. Building on existing seismic imaging methods like the Joint Recovery Method (J… ▽ More Reducing CO$_2$ emissions is crucial to mitigating climate change. Carbon Capture and Storage (CCS) is one of the few technologies capable of achieving net-negative CO$_2$ emissions. However, predicting fluid flow patterns in CCS remains challenging due to uncertainties in CO$_2$ plume dynamics and reservoir properties. Building on existing seismic imaging methods like the Joint Recovery Method (JRM), which lacks uncertainty quantification, we propose the Probabilistic Joint Recovery Method (pJRM). By estimating posterior distributions across surveys using a shared generative model, pJRM provides uncertainty information to improve risk assessment in CCS projects. △ Less

Submitted 30 January, 2025; originally announced January 2025.

Energy-Threshold Bias Calculator: A Physics-Model Based Adaptive Correction Scheme for Photon-Counting CT

Authors: Yuting Chen, Yuxiang Xing, Li Zhang, Zhi Deng, Hewei Gao

Abstract: Photon-counting detector based computed tomography (PCCT) has greatly advanced in recent years. However, spectral inconsistency, referring to inter-pixel variations in detected counts per energy bin, can easily leads to ring or band artifacts and inaccuracies in CT reconstructed images. This work proposes a novel physics-model based method to correct for spectral inconsistency by modeling it throu… ▽ More Photon-counting detector based computed tomography (PCCT) has greatly advanced in recent years. However, spectral inconsistency, referring to inter-pixel variations in detected counts per energy bin, can easily leads to ring or band artifacts and inaccuracies in CT reconstructed images. This work proposes a novel physics-model based method to correct for spectral inconsistency by modeling it through two terms: (1) a fixed spectral skew term (energy threshold-independent filtration function) determined at a given energy threshold, and (2) a variable energy-threshold bias term that can be directly calculated by using our spectral model as the threshold changes. After the two terms being computed out in the calibration stage, they will be incorporated into our spectral model to adaptively generate the spectral correction vectors as well as the material decomposition vectors if needed, pixel-by-pixel for PCCT projection data. Using a minimum set of parameters with explicit physics meaning, such an energy-threshold bias calculator (ETB-Cal) has advantages of computational efficiency, robustness in implementation, and convenience with no need of X-ray fluorescence materials in calibration. To validate our method, both numerical simulations and physical experiments using multiple phantoms were carried out on a tabletop PCCT system, with preliminary results showing a significant reduction in non-uniformity, from 29.3 to 5.8 HU for Gammex multi-energy phantom versus no correction (comparatively, 8.3 HU was achieved by a polynomial-involving model-based approach with no explicit modeling and calculating of energy threshold bias but more calibration data required), and from 27.9 to 3.2 HU for the Kyoto head phantom. △ Less

Submitted 28 January, 2026; v1 submitted 18 January, 2025; originally announced January 2025.

Comments: 18 pages, 14 figures

Journal ref: IEEE Trans. Med. Imaging, early access, 2026

Scalable Miniature On-chip Fourier Transform Spectrometer For Raman Spectroscopy

Authors: Sarp Kerman, Xiao Luo, Zuoqin Ding, Zhewei Zhang, Zhuo Deng, Xiaofei Qin, Yuran Xu, Shuhua Zhai, Chang Chen

Abstract: Miniaturized spectrometers for Raman spectroscopy have the potential to open up a new chapter in sensing. Raman spectroscopy is essential for material characterization and biomedical diagnostics, however, its weak signal and the need for sub-nanometer resolution pose challenges. Conventional spectrometers, with footprints proportional to optical throughput and resolution, are difficult to integrat… ▽ More Miniaturized spectrometers for Raman spectroscopy have the potential to open up a new chapter in sensing. Raman spectroscopy is essential for material characterization and biomedical diagnostics, however, its weak signal and the need for sub-nanometer resolution pose challenges. Conventional spectrometers, with footprints proportional to optical throughput and resolution, are difficult to integrate into compact devices such as wearables. Waveguide-based Fourier Transform Spectrometers (FTS) enable compact spectrometers, and multi-aperture designs can achieve high throughput for applications such as Raman spectroscopy, however, experimental research in this domain remains limited. In this work, we present a multi-aperture SiN waveguide-based FTS overcoming these limitations and enabling Raman spectroscopy of isopropyl alcohol, glucose, Paracetamol, and Ibuprofen with enhanced throughput. Our spectrometer chip, fabricated on a 200 mm SiN wafer, with 160 edge-coupled waveguide apertures connected to an array of ultra-compact interferometers and a small footprint of just 1.6 mm x 4.8 mm, achieves a spectral range of 40 nm and a resolution of 0.5 nm. Experimental results demonstrate that least absolute shrinkage and selection operator (LASSO) regression significantly enhances Raman spectrum reconstruction. Our work on waveguide-based spectrometry paves the way for integrating accurate and compact Raman sensors into consumer electronics and space exploration instruments. △ Less

Submitted 2 November, 2024; originally announced November 2024.

Comments: 13 pages, 5 figures, Corresponding Authors: Sarp Kerman (sarp.kerman@photonicview.com), Chang Chen (changchen@sjtu.edu.cn)

Journal ref: Light Sci Appl 14, 208 (2025)

First Proof of Principle Experiment for Muon Production with Ultrashort High Intensity Laser

Authors: Feng Zhang, Li Deng, Yanjie Ge, Jiaxing Wen, Bo Cui, Ke Feng, Hao Wang, Chen Wu, Ziwen Pan, Hongjie Liu, Zhigang Deng, Zongxin Zhang, Liangwen Chen, Duo Yan, Lianqiang Shan, Zongqiang Yuan, Chao Tian, Jiayi Qian, Jiacheng Zhu, Yi Xu, Yuhong Yu, Xueheng Zhang, Lei Yang, Weimin Zhou, Yuqiu Gu , et al. (4 additional authors not shown)

Abstract: Muons, which play a crucial role in both fundamental and applied physics, have traditionally been generated through proton accelerators or from cosmic rays. With the advent of ultra-short high-intensity lasers capable of accelerating electrons to GeV levels, it has become possible to generate muons in laser laboratories. In this work, we show the first proof of principle experiment for novel muon… ▽ More Muons, which play a crucial role in both fundamental and applied physics, have traditionally been generated through proton accelerators or from cosmic rays. With the advent of ultra-short high-intensity lasers capable of accelerating electrons to GeV levels, it has become possible to generate muons in laser laboratories. In this work, we show the first proof of principle experiment for novel muon production with an ultra-short, high-intensity laser device through GeV electron beam bombardment on a lead converter target. The muon physical signal is confirmed by measuring its lifetime which is the first clear demonstration of laser-produced muons. Geant4 simulations were employed to investigate the photo-production, electro-production, and Bethe-Heitler processes response for muon generation and their subsequent detection. The results show that the dominant contributions of muons are attributed to the photo-production/electro-production and a significant yield of muons up to 0.01 $μ$/$e^-$ out of the converter target could be achieved. This laser muon source features compact, ultra-short pulse and high flux. Moreover, its implementation in a small laser laboratory is relatively straightforward, significantly reducing the barriers to entry for research in areas such as muonic X-ray elemental analysis, muon spin spectroscopy and so on. △ Less

Submitted 31 October, 2024; originally announced October 2024.

Journal ref: Nature Physics,21,1050, 2025

Scintillation pulse characterization with spectrum-inspired temporal neural networks: case studies on particle detector signals

Authors: Pengcheng Ai, Xiangming Sun, Zhi Deng, Xinchi Ran

Abstract: Particle detectors based on scintillators are widely used in high-energy physics and astroparticle physics experiments, nuclear medicine imaging, industrial and environmental detection, etc. Precisely extracting scintillation signal characteristics at the event level is important for these applications, not only in respect of understanding the scintillator itself, but also kinds and physical prope… ▽ More Particle detectors based on scintillators are widely used in high-energy physics and astroparticle physics experiments, nuclear medicine imaging, industrial and environmental detection, etc. Precisely extracting scintillation signal characteristics at the event level is important for these applications, not only in respect of understanding the scintillator itself, but also kinds and physical property of incident particles. Recent researches demonstrate data-driven neural networks surpass traditional statistical methods, especially when the analytical form of signals is hard to obtain, or noise is significant. However, most densely connected or convolution-based networks fail to fully exploit the spectral and temporal structure of scintillation signals, leaving large space for performance improvement. In this paper, we propose a network architecture specially tailored for scintillation pulse characterization based on previous works on time series analysis. The core insight is that, by directly applying Fast Fourier Transform on original signals and utilizing different frequency components, the proposed network architecture can serve as a lightweight and enhanced representation learning backbone. We prove our idea in two case studies: (a) simulation data generated with the setting of the LUX dark matter detector, and (b) experimental electrical signals with fast electronics to emulate scintillation variations for the NICA/MPD calorimeter. The proposed model achieves significantly better results than the reference model in literature and densely connected models and demonstrates higher cost-efficiency than conventional machine learning methods. △ Less

Submitted 26 May, 2025; v1 submitted 8 October, 2024; originally announced October 2024.

Comments: 30 pages, 14 figures

Observation of polaronic state assisted sub-bandgap saturable absorption

Authors: Li Zhou, Yiduo Wang, Jianlong Kang, Xin Li, Quan Long, Xianming Zhong, Zhihui Chen, Chuanjia Tong, Keqiang Chen, Zi-Lan Deng, Zhengwei Zhang, Chuan-Cun Shu, Yongbo Yuan, Xiang Ni, Si Xiao, Xiangping Li, Yingwei Wang, Jun He

Abstract: Polaronic effects involving stabilization of localized charge character by structural deformations and polarizations have attracted considerable investigations in soft lattice lead halide perovskites. However, the concept of polaron assisted nonlinear photonics remains largely unexplored, which has a wide range of applications from optoelectronics to telecommunications and quantum technologies. He… ▽ More Polaronic effects involving stabilization of localized charge character by structural deformations and polarizations have attracted considerable investigations in soft lattice lead halide perovskites. However, the concept of polaron assisted nonlinear photonics remains largely unexplored, which has a wide range of applications from optoelectronics to telecommunications and quantum technologies. Here, we report the first observation of the polaronic state assisted saturable absorption through subbandgap excitation with a redshift exceeding 60 meV. By combining photoluminescence, transient absorption measurements and density functional theory calculations, we explicate that the anomalous nonlinear saturable absorption is caused by the transient picosecond timescale polaronic state formed by strong carrier exciton phonon coupling effect. The bandgap fluctuation can be further tuned through exciton phonon coupling of perovskites with different Young's modulus. This suggests that we can design targeted soft lattice lead halide perovskite with a specific structure to effectively manipulate exciton phonon coupling and exciton polaron formation. These findings profoundly expand our understanding of exciton polaronic nonlinear optics physics and provide an ideal platform for developing actively tunable nonlinear photonics applications. △ Less

Submitted 8 October, 2024; originally announced October 2024.

CEPC-on-Gaussino: an application of Gaussino simulation framework for CEPC experiment

Authors: Tao Lin, Weidong Li, Xingtao Huang, Teng Li, Ziyan Deng, Chengdong Fu, Jiaheng Zou

Abstract: The Circular Electron Positron Collider (CEPC) is a future Higgs factory to measure the Higgs boson properties. Like the other future experiments, the simulation software plays a crucial role in CEPC for detector designs, algorithm optimization and physics studies. Due to similar requirements, the software stack from the Key4hep project has been adopted by CEPC. As the initial application of Key4h… ▽ More The Circular Electron Positron Collider (CEPC) is a future Higgs factory to measure the Higgs boson properties. Like the other future experiments, the simulation software plays a crucial role in CEPC for detector designs, algorithm optimization and physics studies. Due to similar requirements, the software stack from the Key4hep project has been adopted by CEPC. As the initial application of Key4hep, a simulation framework has been developed for CEPC based on DD4hep, EDM4hep and k4FWCore since 2020. However, the current simulation framework for CEPC lacks support for the parallel computing. To benefit from the multi-threading techniques, the Gaussino project from the LHCb experiment has been chosen as the next simulation framework in Key4hep. This contribution presents the application of Gaussino for CEPC. The development of the CEPC-on-Gaussino prototype will be shown and the simulation of a tracker detector will be demonstrated. △ Less

Submitted 29 September, 2024; originally announced September 2024.

Comments: ICHEP2024 proceedings

Journal ref: PoS(ICHEP2024)1018

Room-temperature valley-selective emission in Si-MoSe2 heterostructures enabled by high-quality-factor chiroptical cavities

Authors: Feng Pan, Xin Li, Amalya C. Johnson, Scott Dhuey, Ashley Saunders, Meng-Xia Hu, Jefferson P. Dixon, Sahil Dagli, Sze-Cheung Lau, Tingting Weng, Chih-Yi Chen, Jun-Hao Zeng, Rajas Apte, Tony F. Heinz, Fang Liu, Zi-Lan Deng, Jennifer A. Dionne

Abstract: Transition metal dichalcogenides possess valley pseudospin, enabling coupling between photon spin and electron spin for classical and quantum information processing. However, rapid valley-dephasing processes have impeded the development of scalable, high-performance valleytronic devices operating at room temperature. Here we demonstrate that a chiral resonant metasurface can enable room-temperatur… ▽ More Transition metal dichalcogenides possess valley pseudospin, enabling coupling between photon spin and electron spin for classical and quantum information processing. However, rapid valley-dephasing processes have impeded the development of scalable, high-performance valleytronic devices operating at room temperature. Here we demonstrate that a chiral resonant metasurface can enable room-temperature valley-selective emission in MoSe2 monolayers independent of excitation polarization. This platform provides circular eigen-polarization states with a high quality factor (Q-factor) and strong chiral near-field enhancement. The fabricated Si chiral metasurfaces exhibit chiroptical resonances with Q-factors up to 450 at visible wavelengths. We reveal degrees of circular polarization (DOP) reaching a record high of 0.5 at room temperature. Our measurements show that the high DOP can be attributed to the significantly increased chiroptical local density of states, which enhances valley-specific radiative transition rates by a factor of ~13. Our work could facilitate the development of ultracompact chiral classical and quantum light sources. △ Less

Submitted 23 November, 2025; v1 submitted 15 September, 2024; originally announced September 2024.

GPU Acceleration of Numerical Atomic Orbitals-Based Density Functional Theory Algorithms within the ABACUS package

Authors: Haochong Zhang, Zichao Deng, Yu Liu, Tao Liu, Mohan Chen, Shi Yin, Lixin He

Abstract: With the fast developments of high-performance computing, first-principles methods based on quantum mechanics play a significant role in materials research, serving as fundamental tools for predicting and analyzing various properties of materials. However, the inherent complexity and substantial computational demands of first-principles algorithms, such as density functional theory, limit their us… ▽ More With the fast developments of high-performance computing, first-principles methods based on quantum mechanics play a significant role in materials research, serving as fundamental tools for predicting and analyzing various properties of materials. However, the inherent complexity and substantial computational demands of first-principles algorithms, such as density functional theory, limit their use in larger systems. The rapid development of heterogeneous computing, particularly General-Purpose Graphics Processing Units (GPGPUs), has heralded new prospects for enhancing the performance and cost-effectiveness of first-principles algorithms. We utilize GPGPUs to accelerate the electronic structure algorithms in Atomic-orbital Based Ab-initio Computation at USTC (ABACUS), a first-principles computational package based on the linear combination of atomic orbitals (LCAO) basis set. We design algorithms on GPGPU to efficiently construct and diagonalize the Hamiltonian of a given system, including the related force and stress calculations. The effectiveness of this computational acceleration has been demonstrated through calculations on twisted bilayer graphene with the system size up to 10,444 atoms. △ Less

Submitted 9 October, 2024; v1 submitted 14 September, 2024; originally announced September 2024.

Two points are enough

Authors: Hao Liu, Yanbin Zhao, Huarong Zheng, Xiulin Fan, Zhihua Deng, Mengchi Chen, Xingkai Wang, Zhiyang Liu, Jianguo Lu, Jian Chen

Abstract: Prognosis and diagnosis play an important role in accelerating the development of lithium-ion batteries, as well as reliable and long-life operation. In this work, we answer an important question: What is the minimum amount of data required to extract features for accurate battery prognosis and diagnosis? Based on the first principle, we successfully extracted the best two-point feature (BTPF) for… ▽ More Prognosis and diagnosis play an important role in accelerating the development of lithium-ion batteries, as well as reliable and long-life operation. In this work, we answer an important question: What is the minimum amount of data required to extract features for accurate battery prognosis and diagnosis? Based on the first principle, we successfully extracted the best two-point feature (BTPF) for accurate battery prognosis and diagnosis using the fewest data points (only two) and the simplest feature selection method (Pearson correlation coefficient). The BTPF extraction method is tested on 820 cells from 6 open-source datasets (covering five different chemistry types, seven manufacturers, and three data types). It achieves comparable accuracy to state-of-the-art features in both prognosis and diagnosis tasks. This work challenges the cognition of existing studies on the difficulty of battery prognosis and diagnosis tasks, subverts the fixed pattern of establishing prognosis and diagnosis methods for complex dynamic systems through deliberate feature engineering, highlights the promise of data-driven methods for field battery prognosis and diagnosis applications, and provides a new benchmark for future studies. △ Less

Submitted 19 August, 2024; originally announced August 2024.

Instruction-Based Molecular Graph Generation with Unified Text-Graph Diffusion Model

Authors: Yuran Xiang, Haiteng Zhao, Chang Ma, Zhi-Hong Deng

Abstract: Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular sequences with pre-trained large language models. In response to this challenge, we propose a novel framework, named… ▽ More Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular sequences with pre-trained large language models. In response to this challenge, we propose a novel framework, named $\textbf{UTGDiff (Unified Text-Graph Diffusion Model)}$, which utilizes language models for discrete graph diffusion to generate molecular graphs from instructions. UTGDiff features a unified text-graph transformer as the denoising network, derived from pre-trained language models and minimally modified to process graph data through attention bias. Our experimental results demonstrate that UTGDiff consistently outperforms sequence-based baselines in tasks involving instruction-based molecule generation and editing, achieving superior performance with fewer parameters given an equivalent level of pretraining corpus. Our code is availble at https://github.com/ran1812/UTGDiff. △ Less

Submitted 26 August, 2025; v1 submitted 19 August, 2024; originally announced August 2024.

Comments: ECAI 2025