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Vol. 74, No. 15 (2025)

2025-08-05

Special topic

超快原子分子光物理

       超快激光技术的发展经历了从飞秒激光到阿秒脉冲的跨越, 相关突破性进展为探索物质微观动力学提供了全新视角. 20世纪80年代, 啁啾脉冲放大技术的发明使得产生超短超强激光成为可能, 极大地推动了强场物理、非线性光学和精密光谱学的发展. 2018年, Gérard Mourou和Donna Strickland因该技术获得诺贝尔物理学奖, 奠定了现代超快激光科学的基础. 进入 21世纪后, 高次谐波产生技术的成熟使得阿秒脉冲的生成和测量成为现实. 2023年, Anne L’Huillier、Pierre Agostini和Ferenc Krausz因阿秒脉冲技术的突破性贡献获得诺贝尔物理学奖, 标志着人类正式进入阿秒科学时代. 阿秒脉冲为实时观测电子运动提供了“超快相机”, 使得化学键断裂、电荷迁移、量子隧穿等超快过程的研究成为可能, 为原子分子物理、量子化学和材料科学带来了革命性的研究手段. 原子分子尺度的微观动力学过程不仅是理解物质宏观性质与功能的基石, 更与超快能量传递、光化学调控、量子信息处理等前沿科学问题密切相关, 为新一代光电器件、精密测量和量子计算等技术的发展提供了关键支撑.

      为展示我国在超快原子分子光物理领域的最新成果, 《物理学报》特邀该领域一线科学家组织本期专题, 聚焦强场物理、阿秒科学及超快光学等方向的创新突破. 专题内容涵盖理论方法与实验技术的双重创新, 包括量子动力学新方法实现分子动力学几何相位的直接提取; 半经典响应时间理论揭示分子隧穿电离的超快动力学机制; 非微扰量子电动力学的频域理论构建强 X射线场中单光子康普顿散射的理论框架; 另有研究阐明椭圆偏振强场中分子电离的缀饰态与非缀饰态演化规律;基于光场调控实现太赫兹波的可控产生等研究成果和综述将被报道.  

     本专题旨在为相关研究提供方法学启示与交叉合作契机. 我们期待这些成果能激发读者对超快科学的探索热情, 推动该领域向更小时间尺度、更高调控精度迈进, 为揭示物质微观动力学规律及新型调控技术开辟新路径.

李辉 华东师范大学; 王春成 吉林大学; 吴健 华东师范大学; 丁大军 吉林大学 Acta Physica Sinica.2025, 74(15).
SPECIAL TOPIC—Ultrafast physics in atomic, molecular and optical systems

EDITOR'S SUGGESTION

Geometric phase in molecular dynamics
YANG Huan, ZHENG Yujun
2025, 74 (15): 150201. doi: 10.7498/aps.74.20250388
Abstract +
The geometric phase effect of molecules, also known as the molecular Aharonov-Bohm effect, arises from the study of the conical intersections of potential energy surfaces. When encircling a conical intersection in the nuclear configuration space, the adiabatic electronic wave function acquires a π phase, leading to a change in sign. Consequently, the nuclear wave function must also change its sign to maintain the single-valued nature of the total wave function. This phase is topologically related to the conical intersection structure. Only by appropriately introducing the molecular geometric phase can the quantum dynamical behavior in the adiabatic representation be accurately described. In the diabatic representation, both the geometric phase effects and the non-adiabatic couplings between nuclei and electrons can be implicitly handled.In this paper, according to the quantum kinematic approach to the geometric phase, we propose a method for directly extracting the geometric phase in molecular dynamics. To demonstrate the unique features of this method, we adopt the $E \otimes e $ Jahn-Teller model, which is a standard model that includes a cone intersection point. This model comprises two diabatic electronic states coupled with two vibrational modes. The initial wave function is designed in such a way that it can circumnavigate the conical intersection in an almost adiabatic manner within approximately 2.4 ms. Subsequently, the quantum kinematic approach is utilized to extract the geometric phase during the evolution. In contrast to the typical topological effect of a quantized geometric phase of π, this extracted geometric phase in this case varies in a continuous manner. When a quantum system performs a path in its projected Hilbert space, it is a representation-independent and gauge-invariant formula of the geometric phase. This research provides a new perspective for exploring molecular geometric phases and the geometric phase effects. It may also provide a possible observable for experimentally studying geometric phases in molecular dynamics.

EDITOR'S SUGGESTION

Study of single-photon Compton scattering process of bound electrons in intense laser fields by using frequency-domain theory
QIU Yuanyuan, YANG Yujun, GUO Yingchun, WEI Zhiyi, WANG Bingbing
2025, 74 (15): 150301. doi: 10.7498/aps.74.20250483
Abstract +
Compton scattering is defined as an inelastic scattering process in which the interaction between strong laser fields and electrons in matter leads to photon emission. In recent years, with the rapid development of X-ray free-electron lasers, the intensity of X-ray lasers has steadily increased, and the photon energy in Compton scattering process has risen correspondingly. Previous studies focus on single-photon Compton scattering of free electrons. However, the mechanism of non-relativistic X-ray photon scattering by bound electrons remains to be elucidated. Therefore, we develop a frequency-domain theory based on non-perturbative quantum electrodynamics to investigate single-photon Compton scattering of bound electrons in strong X-ray laser fields. Our results show that the double-differential probability of Compton backscattering decreases with the increase of incident photon energy. This work establishes a relationship between Compton scattering and atomic ionization in high-frequency intense laser fields, thereby providing a platform for studying atomic structure dynamics under high-intensity laser conditions.

EDITOR'S SUGGESTION

Applications of semiclassical response time theory in strong-field molecular ionization
YE Sheng, WANG Shang, CHEN Ziyu, LI Weiyan, SHEN Shiqi, CHEN Yanjun
2025, 74 (15): 153303. doi: 10.7498/aps.74.20250459
Abstract +
The attosecond technology provides a powerful tool for studying the ultrafast dynamics of electrons during the strong-field ionization of atoms and molecules. This technology relies on quantitative theoretical models to invert the ultrafast time-domain information of the system in the ionization process from the photoelectron spectra obtained through experimental measurements. One of the key issues in constructing quantitative strong-field theoretical models is the theoretical description of the Coulomb effect. The Coulomb potential of molecules, compared with the single-center Coulomb potential of atoms, exhibits a multi-center distribution. This fundamental geometric structure feature results in many new effects of molecules in the external field, such as orientation effect, charge resonance effect, intrinsic dipole effect, and vibration effect. Therefore, it can be expected that the tunneling ionization process of molecules contains more phenomena than that of atoms, which is worthy of in-depth study in experiment and theory. Especially for stretched molecular ions, such as $ {\mathrm{H}}_{2}^{+} $, those exhibiting charge resonance effects in external fields, the difference between near-nucleus and far-nucleus Coulomb effects, which is of great significance for constructing quantitative theoretical models, becomes more complex, providing a platform for testing the applicability of quantitative theoretical models.This work systematically compares the predictions of different theoretical models for the attoclock characteristic observables in molecular systems with large internuclear distances. Through comparative analysis, it is found that the recently proposed semiclassical response time theory, which incorporates near-nucleus Coulomb corrections, shows better agreement with numerical experimental results than the developed strong-field approximation models that consider far-nucleus Coulomb corrections. The semiclassical response time theory establishes a theoretical framework for describing strong-field ultrafast ionization dynamics of stretched molecular systems by considering dual-center Coulomb potential corrections and excited-state contributions. Specifically, it approximates the complex four-body interactions (electron-laser-dual nuclei) in stretched molecular systems to a three-body interaction (electron-laser-dressed-up barrier-proximal nucleus), while using the influence of the other nucleus on the potential barrier as a correction term for the tunnel-exit position. This framework highlights the significant influence of quantum-property-dominated near-nucleus Coulomb effects on molecular tunneling ionization. Furthermore, the theory provides an explicit formula for the response time determined by fundamental laser and molecular parameters. By calculating this response time, the values of attoclock observables are deduced from the theory, thus enabling a clear discussion of ionization time delays in stretched molecular tunneling ionization and revealing that such delays reflect the timescale of strong four-body interactions between the laser, electron, and molecular nucleus. In contrast, the developed strong-field approximation model that simultaneously considers excited-state effects and numerically solves Newton’s equations to describe far-nucleus Coulomb effects cannot fully describe the above-mentioned four-body interaction, making it difficult to quantitatively describe the complex tunneling ionization dynamics under the combined action of coulomb and excited states. Additionally, since this model cannot clearly define the ionization time, the related ionization time delay issues cannot be well discussed. Computational results show that the semi-classical response time theoretical model has improved in terms of calculation accuracy and efficiency, thereby verifying the applicability of this theoretical model in the study of molecular ultrafast ionization dynamics.Moreover, for $ {\mathrm{H}}_{2}^{+} $ with intermediate internuclear distances, the charge resonance effect induces a significant ionization enhancement effect. We present relevant numerical experimental attoclock results and explore the potential applications of the response time theory in such systems. We also envision the extension of this theory to strong-field tunneling ionization in polar molecules, multi-center linear molecules, planar and three-dimensional molecules, and oriented molecules, where interference and Coulomb-acceleration effects compete with each other.

EDITOR'S SUGGESTION

Modulation of terahertz wave generation on lithium niobate chip by temporal dispersion of femtosecond laser
DUAN Haoyu, XU Xitan, ZHENG Ziyang, HUANG Yibo, LU Yao, WU Qiang, XU Jingjun
2025, 74 (15): 158702. doi: 10.7498/aps.74.20250573
Abstract +
Femtosecond laser excitation of nonlinear materials is one of the key technologies for generating terahertz waves at present. Due to its advantages such as ultrashort time resolution and ultrabroad frequency spectrum, the technology has been widely used to characterize, measure, sense and image terahertz waves. However, the methods of controlling terahertz waves through microstructures can only regulate their transmission process, and they will face obstacles such as design difficulty and complex processes, making it hard to be widely used in industry. In this work, by introducing a pulse-shaping system to change the time dispersion of femtosecond laser pulses, the interaction process between femtosecond laser and lithium niobate crystals can be directly regulated, therefore the terahertz generation process can be directly controlled. Taking the second-order time dispersion for example, the terahertz signals generated by pump light with different second-order time dispersion in lithium niobate is detected by using the pump-probe phase-contrast imaging system. Meanwhile, the generation process of terahertz waves is simulated using the impact stimulated Raman scattering model and Huang-Kun equation, demonstrating the feasibility of using femtosecond laser pulses to adjust the time dispersion of terahertz waves. The experimental and simulation results show that when the time dispersion of femtosecond laser causes the pulse width to increase, the time in which the lithium niobate lattice is subjected to the impact stimulated Raman scattering force is prolonged, and the macroscopic polarization of the lithium niobate lattice is correspondingly extended. On the one hand, the longer duration of polarization results in a wider terahertz signal in the time domain and a narrower one in the frequency domain. On the other hand, since the impact stimulated Raman scattering force is proportional to the pump light intensity and is in the same direction during the interaction time, when the Raman scattering force ends, the lattice reaches a maximum displacement. The longer Raman scattering force causes the lattice to move to one side for a longer time, and correspondingly, the subsequent vibration of one period takes a longer time, ultimately resulting in a lower center frequency. In addition, this work also points out that the modulation of terahertz signals by pump light pulse width may be affected by the thickness of the wafer, and the modulation effect on thinner media may be more obvious. This result is of great reference significance for the active regulation of on-chip terahertz sources based on lithium niobate crystals in the future.
SPECIAL TOPIC—Instrumentation and metrology for ultrafast atomic and molecular spectroscopy

EDITOR'S SUGGESTION

Research progress of high-energy-resolution photoelectron interferometer
WANG Huiyong, LI Mingxuan, LUO Sizuo, DING Dajun
2025, 74 (15): 150702. doi: 10.7498/aps.74.20250534
Abstract +
In recent years, the attosecond extreme ultraviolet (XUV) pulse generation and advanced spectroscopic techniques have provided powerful tools for investigating electron dynamics. Researches on an attosecond timescale can realize real-time tracking of electronic motion in atoms and molecules, enabling the measurement of electron wave packet evolution and quantum characteristics, which are crucial for revealing complex dynamical processes within atomic and molecular systems. High-resolution photoelectron interferometers based on attosecond XUV pulse trains have played an important role in a wide range of applications due to their unique combination of high energy and temporal resolution. These applications include the characterization of attosecond pulse trains, the measurement of photoionization time delays in atoms and molecules, quantum state reconstruction of photoelectrons, and laser-induced electronic interference phenomena. By integrating attosecond temporal resolution with millielectronvolt level energy resolution, high-resolution photoelectron interferometric spectroscopy has emerged as a key technique for probing ultrafast dynamics and quantum state characterization. This review systematically summarizes recent advances in high-resolution attosecond photoelectron interferometry, with a focus on the experimental approaches and spectroscopic techniques required to access electron dynamics on an attosecond scale. These include the generation of narrowband attosecond XUV pulse trains, attosecond-stable Mach-Zehnder interferometers, high-energy resolution time-of-flight electron spectrometers, and quantum interference-based measurement schemes such as RABBIT and KRAKEN. This review discusses in detail the reconstruction of attosecond pulse sequences, shell-resolved photoionization time delay measurements in atoms, spectral phase evolution in Fano resonances, tomographic reconstruction of photoelectron density matrices on an attosecond timescale, and control experiments of laser-induced electronic dynamic interference effects. Through the analysis of recent studies, we demonstrate the powerful potential of attosecond high-energy resolution photoelectron interferometry in tracking ultrafast electron dynamics. Finally, the prospects of attosecond photoelectron spectroscopy in ultrafast dynamics and coherent manipulation of quantum systems are discussed.

EDITOR'S SUGGESTION

Detection of ionization time-delay in atoms and molecules by strong-field multiphoton transition interferometry
WEI Menghao, LI Xing, LUO Sizuo, HE Lanhai, DING Dajun
2025, 74 (15): 153301. doi: 10.7498/aps.74.20250647
Abstract +
Attosecond ionization dynamics, a central topic in ultrafast science, largely depends on advances in experimental techniques and theoretical modeling to reveal the fundamental processes that control the evolution of matter on an ultrafast timescale. Among the cutting-edge approaches in this field, the strong-field multiphoton transition interferometry (SFMPTI) method stands out due to its ability to detect multiphoton ionization dynamics with attosecond time resolution via quantum path interference. This technique has been widely applied to the attosecond-scale measurements and characterizations of ionization time delays with quantum-state specificity, ranging from atomic systems to complex molecules. It provides a novel time-domain perspective in the study of strong-field physics. This article focuses on the application of the SFMPTI in probing strong-field multiphoton ionization time delays in atoms and molecules. We systematically present the quantum interference mechanisms behind the method: electrons undergo multi-photon above-threshold ionization (ATI) driven by a 400 nm laser pulse, while an additional 800 nm laser pulse induces the sideband signals through two-color interference. The relative phases encoding of these sidebands provides precise timing information about the ionization process. Furthermore, we summarize the recent advances in attosecond-resolved investigations of ATI dynamics and resonance-state-mediated time delays. For instance, the significant influence of resonance-enhanced multiphoton ionization processes involving different intermediate states in Ar atoms on ionization time delays is elucidated, highlighting the important influences of Freeman resonances on photoelectron emission dynamics in strong laser fields. Additionally, nuclear vibrations in NO molecules change ionization trajectories via nonadiabatic coupling of potential energy surfaces, leading to variations in time delay. Notably, the substantial influence of internuclear distance on ionization delay highlights the high sensitivity of electron-nuclear co-evolution to ultrafast phenomena. Finally, we discuss the potential applications and remaining challenges of this emerging technique, which will continue to open up new avenues for exploring attosecond electron dynamics in complex systems.

EDITOR'S SUGGESTION

Attosecond transient absorption spectroscopy: an ultrafast optical probe for revealing electron dynamics
ZHANG Yichen, DING Nannan, LI Jialin, FU Yuxi
2025, 74 (15): 153302. doi: 10.7498/aps.74.20250546
Abstract +
Attosecond transient absorption spectroscopy (ATAS) is an all-optical pump-probe technique that employs attosecond pulses (from the extreme ultraviolet to soft X-ray) to excite or probe a system, enabling real-time tracking of electronic transitions, quantum state evolution, and energy transfer processes. This approach possesses some key advantages: 1) ultrafast temporal resolution (sub-femtosecond) combined with high spectral resolution (millielectronvolt level); 2) broadband excitation of multiple quantum states, allowing simultaneous detection of multiple energy levels; and 3) element- and site-specific insights provided by the measurements of inner-shell to valence transition reveal charge transfer dynamics, spin state changes, and local structural evolution. To date, significant breakthroughs have been achieved in atomic/molecular physics, electronic coherent dynamics, and strong-field physics by using ATAS. This paper systematically reviews the technical principles and theoretical models related to ATAS by using medium intensity near-infrared pulses, analyzes the recent progress of the applications in gas-phase systems and condensed-phase systems, and explores their future prospects in ultrafast physical chemistry and quantum materials. In gas-phase environments, the ATAS has demonstrated significant capabilities in probing energy level shifts and population transfers in atomic systems, as well as capturing nonadiabatic dynamics and charge migration in diatomic and polyatomic molecules. While in condensed-phase systems, this technique has been effectively used to study the ultrafast dynamics of carriers in semiconductors and to examine the interaction dynamics of localized electrons in insulators and transition metals. Given the rapid evolution of attosecond laser technologies and the unique advantages of the ATAS detection method, this paper also outlines potential future directions. These prospects are expected to further expand the frontiers of ultrafast spectroscopy and drive advancements in a range of disciplines in basic research and technological applications.

EDITOR'S SUGGESTION

Electron/ion imaging technology and its applications in cold atoms, molecules, and related fields
LIU Yang, SHEN Zhenjie, WANG Xincheng, JIANG Yuhai
2025, 74 (15): 153701. doi: 10.7498/aps.74.20250415
Abstract +
With the continuous advancement and maturation of laser cooling techniques for atoms and molecules and full-dimensional electron and ion imaging technology, using momentum imaging techniques to investigate the characteristic properties of cold atoms and collision dynamics has emerged as a burgeoning research direction. This progress has driven the development of a series of high-resolution electron and ion detection devices, leading to innovative breakthroughs in fields such as cold molecule reactions, Rydberg atoms, nuclear decay, photoionization of Bose-Einstein condensates (BECs) and cold plasmas, collisions between cold atoms and ions/electrons, coherent control of cold atoms, and strong-field ultrafast physics. This article reviews representative instruments and their corresponding seminal achievements in the following domains: In cold molecular/cold chemical reactions, imaging technology has revealed new insights into reaction mechanisms; For cold Rydberg atom interactions, it demonstrates high-precision quantum state manipulation capabilities, advancing quantum information processing; In nuclear decay research, it provides ultra-sensitive detection methods, deepening understanding of decay processes; For BEC photoionization and cold plasma control, it can precisely monitor and manipulate microscopic processes; In cold atomic collision studies, it reveals new details in collision dynamics, refining collision theories; Regarding coherent control of cold atoms, it achieves accurate quantum state manipulation and interference; In strong-field ultrafast processes, it elucidates complex electron dynamics under intense fields, providing innovative methods for ultrafast laser control. Furthermore, this article summarizes the applications of imaging technologies in the aforementioned research areas involving cold atoms, and provides prospects for future developments in this evolving field.

EDITOR'S SUGGESTION

Applications of time-of-flight photoelectron spectrometers in ultrafast optical experiments
ZHU Xiaoxian, GAO Yitan, WANG Yiming, ZHAO Kun
2025, 74 (15): 154202. doi: 10.7498/aps.74.20250698
Abstract +
Time-of-flight photoelectron spectroscopy (TOF-PES) with exceptional energy and temporal resolution has emerged as a cornerstone diagnostic tool in attosecond science and ultrafast dynamics. This work comprehensively reviews the TOF-PES technology, its basic principles, and its crucial role in attosecond metrology. The first part in this paper introduces the historical development of TOF methods, from early ion mass spectrometry to modern photoelectron applications, detailing key innovations such as energy and spatial focusing, magnetic shielding, and delay-line detectors. The implementation of magnetic bottle spectrometers (MBES) is discussed in depth, emphasizing their advantages in wide-angle electron collection and improving energy resolution through trajectory collimation and magnetic gradient design.We then focus on the application of TOF-PES in attosecond pulse characterization, particularly in the RABBITT (reconstruction of attosecond beating by interference of two-photon transitions) and attosecond streaking techniques. A broad array of experimental breakthroughs is reviewed, including ultrafast delay scanning, energy-time mapping through photoelectron modulation, and the use of MBES to analyze the phase and amplitude of attosecond pulse trains with accuracy below 50 attosecond. These advances indicate that the TOF-PES is a key driving factor for temporal phase reconstruction and group delay measurement in the extreme-ultraviolet (XUV) spectral range.Then the integration of TOF-based detection in time- and angle-resolved photoemission spectroscopy (TR-ARPES and ARTOF) is explored, making it possible to realize the full 3D momentum-resolved detection without mechanical rotation or slits. The synergistic effect between TOF and ultrafast laser sources promotes the simultaneous improvement of energy and momentum resolution in the Brillouin zone, with applications covering topological materials, superconductors, and charge-density wave systems.Finally, this review extends to momentum-resolved ultrafast electron-ion coincidence techniques. The use of TOF in COLTRIMS (cold target recoil ion momentum spectroscopy) and VMI (velocity map imaging) is evaluated, highlighting its indispensable role in resolving related electron-ion dynamics, few-body fragmentation processes, and tunneling time delays on attosecond and even zeptosecond scales.Overall, this work emphasizes the central role of TOF-PES in advancing the frontiers of ultrafast science. Although current challenges include space-charge effects, detector response limitations, and data handling complexity, future advances in quantum detection, AI-driven trajectory correction, and high-repetition-rate light sources are expected to overcome these barriers. TOF-PES, through its continuous evolution, is still a key platform for detecting quantum dynamics on the fastest known timescale.

EDITOR'S SUGGESTION

Apparatus for transient absorption spectroscopy based on water-window high-order harmonic attosecond light sources
DENG Yimin, ZHANG Yu, LU Peixiang, CAO Wei
2025, 74 (15): 153201. doi: 10.7498/aps.74.20250550
Abstract +
Transient absorption spectroscopy using soft X-ray coherent light sources as ultrafast probes holds significant potential applications in chemistry, biology, and materials science. This article presents the design of a transient absorption apparatus based on desktop soft X-ray light sources. A commercial femtosecond laser system (4.4 mJ, 25 fs, 800 nm, 1 kHz) drives an optical parametric amplifier, generating a 900 μJ, 28 fs, 1440 nm short-wavelength infrared (SWIR) pulse. This SWIR pulse is spectrally broadened and temporally compressed into a few-cycle pulse (400 μJ, 16.5 fs, 1530 nm) by a hollow-core fiber compressor. Then, few-cycle SWIR pulse drives the generation of attosecond soft X-ray high-order harmonic radiation, with the maximum photon energy extending into the water window region (>300 eV). The spectral resolution of the soft X-ray spectrometer is determined to be 334 meV at 243 eV. The remaining 800 nm pump pulse from the OPA system is combined with the high-order harmonic soft X-ray probe by using a hole mirror, forming a Mach-Zehnder interferometer with a time jitter of less than 10 fs during the one-hour data acquisition. This setup demonstrates the feasibility of performing time-resolved soft X-ray spectroscopy in a compact experimental configuration. Preliminary studies of transient absorption near the argon L-edge and carbon K-edge are conducted, demonstrating that this system can be used as a powerful tool for element-specific, time-resolved, and transition-channel-resolved investigations of electron dynamics.
SPECIAL TOPIC—Dynamics of atoms and molecules at extremes

EDITOR'S SUGGESTION

Vibrational excitation and dissociation processes in high-temperature N2-O2 state-to-state collisions based on neural network and dynamic simulation
GUO Changmin, ZHANG Hong, CHENG Xinlu
2025, 74 (15): 153401. doi: 10.7498/aps.74.20250533
Abstract +
The scattering cross-sections and reaction rate coefficients are crucial parameters for elucidating the energy transfer mechanism of state-to-state collisions between molecular gases and also serve as a fundamental basis for modeling the non-equilibrium flow field. However, the database of kinetic processes related to nitrogen shock flows is still being developed. In this work, a detailed kinetic study of the N2 + O2 collision is carried out by combining the quasi-classical trajectory method (QCT) and neural network model (NN). Firstly, QCT is used to calculate 90 N2(v) + O2(w) processes with various initial vibrational states (v,w), and the contributions of all vibrational excitation and dissociation reaction channels are discussed. The following conclusions are drawn: 1) The contributions of the vibration-vibration (VV) energy exchange channel of O2 and N2 are similar, while the vibration-translational (VT) transition mainly occurs on O2; 2) The total dissociation cross-section primarily results from the O2 single-dissociation channel, followed by the exchange-dissociation channel, with relatively minor contributions from the N2 single- and double-dissociation channels. Then, based on the QCT dataset, a high-performance NN model (R-value of 0.99) is trained to predict the total dissociation cross-section caused by N2(v) + O2(w) collisions. Compared with the method that only uses QCT, the method that jointly uses OCT and NN model can achieve an approximately 91.94% reduction in computational cost. Finally, to facilitate use in kinetic modeling, Arrhenius-type fits for the VV/VT rate coefficients are provided over the temperature range of 5000–30000 K, and an exponential form related to the translational energy Et is used to fit the total dissociation cross-section.

EDITOR'S SUGGESTION

Charge transfer process of laser-accelerated low-energy carbon ion beams in porous CHO foams
CHENG Yu, REN Jieru, MA Bubo, LIU Yun, ZHAO Ziqian, WEI Wenqing, Dieter H. H. Hoffmann, DENG Zhigang, QI Wei, ZHOU Weimin, CHENG Rui, LI Zhongliang, SONG Lei, LI Yuan, ZHAO Yongtao
2025, 74 (15): 154102. doi: 10.7498/aps.74.20250634
Abstract +
Charge transfer processes in ion-matter interactions are crucial for ion beam-driven high-energy density physics, material irradiation damage, and charge state stripping in accelerator techniques. Here we generate carbon ion beams in the MeV energy range through target normal sheath acceleration (TNSA) mechanism, and measure the average charge state of 1.5–4.5 MeV carbon ion beams passing through porous C9H16O8 foam with a volume density of 2 mg/cm3. The measured average charge states are compared with the average equilibrium charge-states predicted by semi-empirical formula and rate equation. The results show that the predictions from the rate equation that fully considers the ionization, capture, excitation, and de-excitation processes are in good agreement with experimental results. The prediction from the rate equation by using gas target cross-section data underestimates the experimental data, because the target density effect caused by the solid fiber filaments in the foam-structured target increases the ionization probability through frequent collisions, reduces the electron capture probability, and thus leads to an enhancement of ion charge states. In the projectile energy range above 3 MeV, the experimental data agree with the predictions from the rate equation using solid-target cross-section data. However, a significant deviation emerges in the energy region below 3 MeV due to the fact that in this energy range, the lifetime of ion excited states is shorter than the collisional time scale. In this case, excited electrons have time to de-excite the ground state before the second collision occurs. Consequently, the target density effects are weakened, and the charge states are reduced. The experimental results agree well with predictions from the ETACHA code that considers excitation and de-excitation processes in detail. This work provides the data and references for better understanding ion-matter interactions and distinguishing various charge exchange models.
SPECIAL TOPIC—Atomic, molecular and materials properties data

EDITOR'S SUGGESTION

Charge transfer cross sections of collisions of N3+ ions with He atoms in low energy region
LIN Xiaohe, LIN Minjuan, WANG Kun, WU Yong, REN Yuan, WANG Yu, LI Jiewei
2025, 74 (15): 152501. doi: 10.7498/aps.74.20250581
Abstract +
The collision process between N3+ ions and He atoms is of great significance in astrophysics, interstellar space and laboratory plasma environment. The single- and double-charge transfer processes for the collisions of N3+ with He atoms are studied by using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method. The ab initio multireference single- and double-excitation configuration interaction (MRD-CI) methods are employed to obtain the adiabatic potentials and the radial and rotational coupling matrix elements that are required in the QMOCC calculation. In the present QMOCC calculations, 10 1Σ states, 8 1Π states and 4 1Δ states are considered, and total single- and double-charge transfer cross sections and state selection cross sections are calculated in an energy region from 3.16 × 10–3 eV–24 keV (i.e., 2.25 × 10–4 eV/u–1.73 keV/u). Comparison of our results with the previous theoretical and experimental results shows that our results agree well with the experimental values for the total double-charge transfer (DCT) cross sections. For the total single-charge transfer (SCT) cross sections, our QMOCC results are slightly higher than the experimental results in an energy region of 0.2–11 eV/u. When the energy is higher than 11 eV/u, the present QMOCC results are in good agreement with the experimental results. The total SCT cross section is significantly larger than the total DCT cross section, so SCT process is a dominant reaction process. For the SCT process, it can be observed that the charge transfer to N2+(2s2p2 2D) and N2+(2s22p 2P°) is very important. It should be noted that although we and Liu et al. (Phys. Rev. A 2011 84 042706) both used the QMOCC method to study the charge transfer cross section, our calculation results are still significantly different from their calculation results. It is due to the fact that Liu et al.’s calculations only considered 10 1Σ states and 8 1Π states, and ignored the effect of 1Δ states.The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00165.

EDITOR'S SUGGESTION

Excitation energies and radiative transition rates of isoelectronic sequences of Li-like ions with Z = 6–51
ZHAO Jiaxun, WU Chensheng, SONG Qinghe
2025, 74 (15): 153102. doi: 10.7498/aps.74.20250611
Abstract +
Li-like ions widely exist in astrophysical and laboratory plasmas, and their precise atomic parameters (e.g. excitation energies and transition rates) are very important for plasma diagnostics and spectral analysis. In this work, we employ the GRASP2018 software package, which is widely used in atomic structure calculations, to systematically compute the lowest 15 energy levels and the electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition rates between them of 17 Li-like ions across the isoelectronic sequence (Z = 6–51: C3+, F6+, Mg9+, P12+, Ar15+, Sc18+, Cr21+, Co24+, Zn27+, As30+, Kr33+, Y36+, Mo39+, Rh42+, Cd45+, Sn37+, Sb38+). The calculations are based on the multi-configuration Dirac-Fock (MCDF) and configuration interaction (CI) method combined with high-order relativistic corrections and quantum electrodynamics effects such as Breit interaction, self-energy correction and vacuum polarization. The computational convergence is achieved. The calculated excitation energies and transition rates are compared with the NIST database and previous theoretical results. Due to the reasonable construction and larger scale of baseset, the current computational results show evident improvement compared with the results obtained using the same MCDF+CI method previously. Particularly for the two lowest excited states, [1s22p]1/2 and [1s22p]3/2, which exhibit slower convergence, the relative difference between current results and the NIST data is reduced by one to two orders of magnitude compared with previous MCDF+CI calculations. This accuracy even approaches that achieved by S-matrix methods specifically optimized for the ground state and these two lowest excited states. For transition rates, except for certain weak transitions with rates below $ {10}^{3}\;{{{\mathrm{s}}}}^{{-1}} $, the difference between our calculations and previous theoretical results obtained using the MCDF+CI method is still within 1%. Furthermore, our calculations accord with the NIST data within 5% for the majority of transitions. A comparison of NIST data with other previous theoretical results shows evident discrepancies between our calculations and the NIST data for some excitation energies and transition rates. Our results are consistent with other theoretical results for these specific values, indicating that these particular energy levels and transitions need more detailed theoretical and experimental investigation. This work provides highly accurate data for supporting experimental diagnostics and theoretical modeling of astrophysical and laboratory plasmas in future research. The datasets presented in this paper are openly available at https://www.doi.org/10.57760/sciencedb.j00213.00154.

EDITOR'S SUGGESTION

Energy levels and electric dipole transitions of 1s22s22p2 and 1s22s2p3 configurations in carbon-like ions (Z = 10, 14, 32, 36, 50)
HU Muhong, HE Jizheng
2025, 74 (15): 153103. doi: 10.7498/aps.74.20250568
Abstract +
The atomic energy level structures and transition properties of 1s22s22p2 ground configuration and 1s22s2p3 excited configuration in carbon-like ions with Z = 10, 14, 32, 36, 50 are investigated theoretically using the fully relativistic multi-configuration Dirac-Hartree-Fock (MCDHF) method.Based on the wavefunction constructed with careful consideration of electron correlations, the theoretical calculations are completed by taking into account the Breit interaction, quantum electrodynamic effect and nuclear mass effect. Then the effects of three types of electron correlations, namely valence-valence, core-valence, and core-core correlations, on energy levels are studied in detail, and high-precision excitation energies are obtained. Compared with other theoretical results, the calculated excitation energies for Ne V ion are the closest to the NIST (National Institute of Standards and Technology) data, and the excitation energies of other ions also possess relatively high precision. Additionally, by combining the NIST data and the LS coupled atomic state compositions, the fuzziness in identifying atomic states generated from the code is analyzed, and the corresponding renamed atomic states are presented.For electric dipole transitions, the transition wavelengths of Ne V and Si IX ions reported in this work are in good agreement with the available NIST data, with the relative errors being less than 0.62%. Their transition ratesaccord well with other theoretical results. And for majority of electric dipole transitions, the electric dipole transition parameters calculated in Babushkin and Coulomb gauges are well consistent with each other, which demonstrates the feasibility and reliability of the MCDHF method for theoretically calculating the energy structures and spectral properties of 1s22s22p2 and 1s22s2p3 configurations in carbon-like ions. The results cover a wide range of levels and transitions for carbon-like ions, and the data are expected to enrich the fundamental database for carbon-like ions and provide valuable theoretical references for relevant studies. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00145.

EDITOR'S SUGGESTION

Theoretical study of state-selective charge exchange processes in collisions between highly charged N6+ ions and H atoms
NIU Jiajie, ZHANG Weiwei, QI Yueying, GAO Junwen
2025, 74 (15): 153402. doi: 10.7498/aps.74.20250541
Abstract +
In this work, we systematically investigate single-electron capture process in the collision between N6+(1s) ions and H(1s) atoms in a wide energy range from 0.25 to 225 keV/u by using a two-electron semiclassical asymptotic-state close-coupling method. Spin-averaged and spin-resolved total cross sections, as well as n-resolved and $n\ell $-resolved partial cross sections, are calculated and comprehensively compared with existing experimental measurements and theoretical predictions. The results show at low energies (<10 keV/u), energy dependence of the total cross section is weak, and it follows a monotonically decreasing trend at higher energies. The analysis of $n\ell $-resolved cross sections reveals the strong coupling effects between various channels at low energies, while at high energies the relative $\ell $ distributions in each $n\ell $-resolved cross section approximately follow the statistical $\ell $ distribution, for which the electrons are therefore mainly captured into subshells of the maximum $\ell $. The present study demonstrates the importance of a two-electron treatment taking into account electronic correlation and the use of extended basis sets in the close-coupling scheme. However, substantial discrepancies exist among theoretical approaches at low energies. It is clear that further experimental and theoretical efforts are required to draw definite conclusions. Our work provides a complete and consistent set of cross sections in a broad range of collision energies, which can be used for various plasma diagnosis and modeling. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00143.

EDITOR'S SUGGESTION

Experimental study on radiative opacity of radiatively heated carbon plasma at SGIII prototype laser facility
ZHAO Yang, QING Bo, XIONG Gang, ZHANG Zhiyu, SUN Ao, YANG Guohong, ZHAO Yan, ZHANG Yuxue, HUANG Chengwu, ZHU Tuo, SONG Tianming, LI Liling, LI Jin, CHE Xingsen, ZHAN Xiayu, ZHANG Jiyan, DONG Yunsong, YANG Jiamin
2025, 74 (15): 155203. doi: 10.7498/aps.74.20250600
Abstract +
Experimental opacity data are used to evaluate the opacity models and their accuracy of the calculated results. In order to study the opacity of carbon material in the shell of the inertial confinement fusion ignition target, the experimental study of the spectrally-resolved opacity of radiatively heated carbon plasma is carried out on the Shenguang III prototype laser facility. Eight nanosecond lasers are injected into a conical-cylindrical gold hohlraum and converted into intense X-ray radiation, the high-temperature plasma is obtained by radiatively heating the CH film in the center of the hohlraum. Temporal evolutions of temperature and density of carbon plasma are simulated with the Multi-1D code. By using a spatially-resolved flat-field grating spectrometer combined with the ninth beam smoothing surface backlight technology, the absorption spectra of CH sample and the backlighter spectra are measured in one shot. Finally, the experimental transmission spectra of carbon plasma (with a temperature of 65 eV and density of 0.003 g/cm3) in a range of 300–500 eV are obtained and compared with the calculated results of a DCA/UTA opacity code. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00153.

EDITOR'S SUGGESTION

A wide-range multiphase equation of state for lead
FANG Jun, ZHAO Yanhong, GAO Xingyu, ZHANG Qili, WANG Yuechao, SUN Bo, LIU Haifeng, SONG Haifeng
2025, 74 (15): 156401. doi: 10.7498/aps.74.20250569
Abstract +
We present a multi-phase equation of state (EOS) for lead (Pb, Z = 82) in wide ranges of densities and temperatures: $ {11}{.34}\;{\text{g}}/{\text{c}}{{\text{m}}^3} < \rho < 80\; {\text{g}}/{\text{c}}{{\text{m}}^3}{,} $ $ 300\;{\mathrm{K}} < T < 10\;{\mathrm{MK}}. $ The EOS model is based on a standard decomposition of the Helmholtz free energy that is regarded as a function of the specific volume and the temperature into cold term, ion-thermal term, and electronic excitation term. The cold term models both the compression and the expansion states; the ion-thermal term introduces the Debye approximation and the melting entropy; the electronic excitation term employs the Thomas-Fermi-Kirzhnits (TFK) model. The thermodynamic properties of the warm-dense lead are calculated using the extended first-principles molecular dynamics (ext-FPMD) method, with the density reaching five times that of ambient density and the temperature up to 0.4 MK. Our EOS model is used to predict the principle Hugoniot, the room-temperature isotherm, the melting curve, and the thermodynamic properties in the warm-dense region. A systematic comparison with the experimental data, the SESAME-3200 table, and the ext-FPMD calculations is made and shows that our EOS model is consistent with not only the various experimental data, but also the ext-FPMD calculations, indicating some superiority over the SESAME-3200 table in the warm-dense region. The datasets presented in this paper, including the tabular EOS consisting of internal energy and pressure at the different densities and temperatures, are openly available at https://www.doi.org/10.57760/sciencedb.j00213.00166.

EDITOR'S SUGGESTION

Elastic properties and their pressure dependence of rare earth metals
HUANG Chengning, LIU Beilei, WANG Yuechao, GAO Xingyu, XIAN Jiawei, LIU Haifeng, SONG Haifeng
2025, 74 (15): 157102. doi: 10.7498/aps.74.20250574
Abstract +
Rare earth metals are of significant importance in engineering and technological applications, and their unique f-electron-related behaviors have attracted widespread interest in condensed matter physics. In this work, we investigate the elastic properties of rare earth metals ranging from Ce to Yb by combining first-principles calculations with systematic data compilation. Taking Ce and Yb as representative cases, we investigate the evolution of their elastic properties under high-pressure conditions (0–15 GPa), and we systematically compare the simulation performances of different f-electron treatment approaches. The results indicate a significant difference in ductility between light and heavy rare earth metals under ambient pressure. Under pressure, the elastic properties of Ce and Yb undergo marked changes in phase transitions. Specifically, the B/G ratio, a key indicator of ductility, decreases from about 2.0 in light lanthanides to around 1.5 in heavy lanthanides, crossing the critical threshold of 1.75. Notably, during the fcc iso-structural phase transition in Ce and the fcc-bcc phase transition in Yb, a significant brittle-ductile transition is observed. These transitions are closely related to the bonding characteristics modulated by atomic number or pressure condition. For instance, as the atomic number increases, the Cauchy pressure (C12C44) decreases with the variation of s and d valence electrons, indicating an enhanced covalent bonding tendency. In addition, this study reveals that simulating f-electrons as core electrons can adequately describe the elastic properties and trends of rare earth metals under ambient pressure. However, when modeling high-pressure structural phase transitions and their related elastic evolution, the method of treating f-electrons as valence electrons and performing electron correlation correction shows better accuracy. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00150.
GENERAL
Systematical study of effects of chip parameters and control waveforms on fidelity of CZ gate
WANG Shi, ZHENG Yan, HOU Jie, YE Yongjin, JI Yang, WU Yongzheng
2025, 74 (15): 150302. doi: 10.7498/aps.74.20250108
Abstract +
Efficient and high-fidelity two-qubit gates are crucial to achieving fault-tolerant quantum computing and have become one of the key research topics in the quantum computing field. The fidelity of quantum gate is affected by many factors, such as quantum chip parameters and control waveforms. In theory, the chip paramters and waveforms can be precisely designed. However, in practice, the actual chip parameters and waveforms may deviate from the theoretical values. It is necessary to systematically study the effects of chip parameters, control waveforms, and other factors on the fidelity of two-qubit gate, and determine the magnitude and direction of the each factor’s effect. Here, we systematically study the effects of chip parameters, control waveforms, coupler start frequency, qubit frequency, etc. on the fidelity of CZ gate. On this basis, the response of gate fidelity to deviations in control parameters is further studied. At the chip design level, quantum chips based on CBQ parameters can achieve higher-fidelity CZ gate in shorter gate operation time. In terms of controlling waveforms, the three-level Fourier series wave is superior to the square wave and rounded trapezoidal wave in achieving lower gate error rate and shorter gate operation time, and can better meet the requirements for efficient implementation of high-fidelity quantum gates. Factors such as the coupler starting frequency and qubit frequency have relatively little effect on the fidelity of the CZ gate. In a wide frequency range, high-fidelity CZ gate can always be achieved by optimizing the control waveform parameters. It should be pointed out that slight deviations of control parameters will lead to a significant increase in gate error. This study is of great significance for clarifying the effects of various factors on the fidelity of the CZ gate. It can provide theoretical and technical support for designing superconducting quantum chips and realizing high-fidelity CZ gate, thereby promoting the engineering development of quantum computing.
Chaos signal transmission based on atomic antennas
ZHAO Chenhan, SU Nan, LIU Yao, HE Jun, ZHAN Defang, LIU Zhihui, WANG Junmin
2025, 74 (15): 150501. doi: 10.7498/aps.74.20250554
Abstract +
To achieve multi-channel parallel transmission of complex signals and enhance spectral efficiency, this study presents a Rydberg atomic antenna system that can demonstrate multiplexed communication schemes. 852-nm and 509-nm lasers are used to excite cesium atoms into Rydberg states in a vapor cell, while employing differential detection techniques to suppress common-mode noise in order to obtain high signal-to-noise ratio electromagnetically induced transparency (EIT) spectra. Under weak electric field conditions, microwave field coupling causes atomic energy level shifts, resulting in two-photon detuning and rendering the EIT transmission intensity almost linearly dependent on the microwave electric field strength. Based on this effect, the integrated electrode configuration in the atomic cell generates a time-varying electric field, which can measure the waveforms, amplitudes, and frequencies of microwave and low-frequency electric fields. According to this principle, we decompose complex chaotic signals into three-dimensional orthogonal electric field components in order to demonstrate time-division multiplexing (TDM) of three-channel signals. Meanwhile, frequency-division multiplexing (FDM) is realized by modulating the x -, y -, z - channels with 3 kHz, 5 kHz, and 4 kHz carriers, respectively. The quantitative analysis of the parameters related to the transmition signal and the reference signal reveals high-fidelity reconstruction, with the fidelity levels reaching 95% for TDM and 90% for FDM. These results validate the feasibility of using optical atomic antennas to reconstruct complex signal waveforms and emphasize the potential of Rydberg-based systems in high-performance electromagnetic field sensing and communication applications.
Simulation of terahertz detection based on plasma waves in monolayer MoS2 field-effect transistor
WANG Xiaoyun, FAN Huichuan, CHEN Xiaoshuang, WANG Lin
2025, 74 (15): 150701. doi: 10.7498/aps.74.20250517
Abstract +
Low-dimensional material systems benefit from their extremely high carrier mobility and flexible integrability, making them a subject of research in the terahertz detection field and demonstrating significant potential for applications. At present, software is mainly used to simulate and analyze the structures relied upon for semiconductor terahertz detection of bulk materials, while the simulation analysis for terahertz detection in low-dimensional material systems is still relatively unexplored. Due to the low degrees of freedom in carrier motion in low-dimensional materials, the probability of scattering caused by collisions between electrons and the lattice in the channel during electron movement is effectively reduced, making these materials have immense potential in high-sensitivity detection. Their low equivalent noise power and high signal-to-noise ratio performance in signal detection highlight the broad development prospects of these materials in the field of communication. This work simulates and analyzes the plasmon wave effect in a monolayer MoS2 field-effect transistor (FET) for THz detection for the first time, and systematically elucidates the principle and analysis process of using plasmon waves for THz detection. The transmission characteristic curve of the device is simulated and measured at a source-drain voltage of 0.5 V, and, a gate-to-drain voltage of –0.1 V is selected based on this curve to preliminarily investigate the THz response performance of the device. By adjusting key parameters such as Ugs, THz wave irradiation frequency, and HfO2 layer thickness, it is found that the monolayer MoS2 FET THz detector can produce a maximum DC voltage signal of 14 μV. This signal exhibits a complex variation trend related to the bias voltage between the gate and drain. This trend correlates with the bias voltage-induced changes in carrier concentration and the corresponding momentum relaxation time. The research results obtained in this paper can provide an important reference for designing low-dimensional material THz detectors. Furthermore, they lay a foundation for optimizing the performance of two-dimensional material THz detectors through simulation analysis, thereby providing deeper insights into the study of THz photoelectric responses in 2D materials.
COVER ARTICLE

COVER ARTICLE

Numerical study of superradiance and Hawking radiation from rotating acoustic black hole
LU Kun, CHEN Lefeng, GE Xianhui
2025, 74 (15): 150401. doi: 10.7498/aps.74.20250582
Abstract +
This paper conducts numerical studies on superradiance and Hawking radiation of a specific rotating acoustic black hole model characterized by parameters A and B, within the framework of analogue gravity. The standard radial wave equation for scalar perturbations in the effective metric of this model is solved numerically by using an adaptive Runge-Kutta method with tortoise coordinates; this approach necessitates careful numerical inversion of the coordinate transformation near the horizon via a root-finding algorithm. By imposing appropriate boundary conditions, we extract the reflection coefficient $\mathcal{R}$ and transmission coefficient $\mathcal{T}$ in a range of frequencies ω. Our results clearly demonstrate superradiance, with the reflectivity $|\mathcal{R}|^2$ exceeding unity for $\omega < m\varOmega_{\rm{H}} = 1$ (where $m=-1$ and $\varOmega_{\rm{H}}=-1$), which confirms energy extraction from the rotating background. The high accuracy of our method is validated by the flux conservation relation, $|\mathcal{R}|^2 + $$ [(\omega - m\varOmega_{\rm{H}})/\omega]|\mathcal{T}|^2 = 1$, which typically has a numerical precision of $ 10^{-8}$. Furthermore, using the derived Hawking temperature and the rotation modified Bose-Einstein distribution, we calculate the Hawking radiation power spectrum $P_\omega$, and use the numerically obtained transmission coefficient $|\mathcal{T}|^2$ as the greybody factor of the model. A prominent feature of $P_\omega$ is its sharp enhancement (or divergence) as ω approaches the threshold $m\varOmega_{\rm{H}}$ from above, which is a characteristic directly related to the denominator of the Bose-Einstein factor. This research also reveals that superradiant amplification and Hawking spectrum characteristics are significantly dependent on the specific values of flow parameters A and B, even when the superradiant threshold $m\Omega_H$ is kept unchanged. This detailed numerical study provides quantitative results for the scattering and radiation properties of this model, and also for strong support for the analogue gravity framework.
ATOMIC AND MOLECULAR PHYSICS
Microscopic mechanism on viscosity of carbon monoxide
ZHANG Junzhuo, LI Yanqin, LI Zhicong, YAN Shuibao
2025, 74 (15): 153101. doi: 10.7498/aps.74.20250417
Abstract +
Viscosity is an essential transport property in gas dynamics, especially the bulk viscosity, which exhibits more complex behavior. Carbon monoxide (CO) is a molecule of weak polarity, which exists in many important fields such as combustion and coke metallurgy. In order to effectively uncover the mechanism of the CO viscosity, this study dealt with it from a microscopic view. A transcale model is built which integrates density functional theory (DFT, first-principles) calculations with equilibrium molecular dynamics (EMD) simulations to establish a microscale foundation. Based on that, a fitted high-precision potential function is formed, then by using the Green-Kubo linear response theory, the shear and bulk viscosities of CO are achieved in a medium temperature range of 100–800 K. The MD simulation is implemented with C programming language, and an adaptive time-step algorithm is applied so that the computational efficiency is significantly enhanced. The resulting bulk viscosity exhibits quite obvious sensitivity to the potential function of the molecule system, while the shear viscosity shows little. Unlike the shear viscosity, which appears more linear, the bulk viscosity shows clear nonlinear behavior that changes with temperature. Correspondingly, traditional theoretic models and experimental results from different literature indicate that the bulk viscosity at medium temperatures is overestimated to various degrees. Fitting functions on the shear and bulk viscosities in the defined temperature range are established, respectively. Additionally, the lower system pressure and larger system size in the model effectively reduce statistical pressure fluctuations and improve the convergence of relevant laws. This work elucidates the microscopic mechanism of CO viscosity and provides a high-fidelity theoretical tool for modeling the viscosity of high-temperature nonequilibrium gas flows (e.g. hypersonic boundary layers, and plasma transport).

EDITOR'S SUGGESTION

Single-photon scattering in a two-level giant atom-dual waveguide coupled system based on local coupling phase regulation
ZHU Zhonghua, CHEN Keke, ZHANG Yuqing, FU Xiangyun, PENG Zhaohui, LU Zhenyan, CHAI Yifeng, XIONG Zuzhou, TAN Lei
2025, 74 (15): 153202. doi: 10.7498/aps.74.20250505
Abstract +
This work is to investigate the single-photon scattering in a waveguide quantum electrodynamics system consisting of two dipole-coupled giant atoms, each interacting with a separate one-dimensional infinite waveguide at two distinct coupling points. Our primary objective is to establish a theoretical framework for manipulating photon propagation paths via quantum interference induced by multiple coupling points and local phase engineering. Unlike traditional chiral coupling schemes, an innovative method, in which the coupling phases are designed locally at each atom-waveguide interface, is used to achieve effective chiral coupling, thereby introducing novel quantum interference mechanisms. Using a real-space approach, we derive analytical expressions for four-port scattering amplitudes. We establish the conditions for achieving perfect directional routing to any output port and demonstrate the coherent control mechanisms implemented by geometric and local coupled phases. Continuous frequency tunability is primarily achieved through dipole-dipole interaction, and finely tuned through the accumulated phase and local coupling phases. Local phase differences precisely regulate port-specific probability distributions within the waveguides while preserving total routing efficiency. Furthermore, we elucidate the mechanisms of nonreciprocal transport and chiral scattering. The analysis reveals different governing principles: perfect nonreciprocity arises from the interplay of the accumulated phase, local coupling phases, photon-atom detuning, and dipole-dipole interaction. In contrast, perfect chiral scattering depends entirely on the accumulated phase and local coupling phases, and is independent of detuning. Notably, under the phase-matching conditions, the system achieves both perfect chiral and directional routing, and realizes frequency-selective path-asymmetric photon control. These findings provide a comprehensive framework for manipulating quantum interference in multi-atom waveguide systems, highlighting applications in quantum information processing, including tunable single-photon routers, isolators, and chiral quantum nodes. By implementing superconducting circuits, the local phase can be dynamically adjusted, thus proving the feasibility of the experiment.
ELECTROMAGNETISM, OPTICS, ACOUSTICS, HEAT TRANSFER, CLASSICAL MECHANICS, AND FLUID DYNAMICS
Electromagnetic pulse damage effects on gallium arsenide solar cells
HUANG Zekang, GE Xingjun, ZHANG Yang, ZHANG Peng, ZHANG Zehai, ZHOU Yang, LV Jiahua
2025, 74 (15): 154101. doi: 10.7498/aps.74.20250469
Abstract +
The technology of space-based wireless power transfer presents a potential solution for supplying energy to spacecraft. However, this method transmits energy through high-power electromagnetic pulses, which may pose a potential threat to gallium arsenide (GaAs) solar cells. Currently, the damage mechanisms affecting solar cells in these conditions remain unclear. To solve this issue, the thermo-electrical coupled damage mechanism of single-junction GaAs solar cells is investigated using a comprehensive multiphysics simulation model in this work. The damage characteristics of the solar cells under varying voltage and frequency inputs are simulated and analyzed. Furthermore, the relationship between burnout time and both input voltage and frequency are investigated, and the differences in damage mechanisms observed at different frequencies are elucidated. The results indicate that due to high current density and contact resistance, burnout mainly occurs at the cathode electrode contacts. Additionally, the PN junction and the anode contact experience significant temperature elevations, which is more likely to affect the cell performance. By deepening our understanding of how high-power electromagnetic pulses damage space solar cells, this study will provide support for designing electromagnetic protection systems for spacecraft power architectures.

EDITOR'S SUGGESTION

Ultra-fast exposure enhanced imaging with SPAD arrays based on super-resolution deep learning
ZHANG Zhijie, GUO Yanqiang, GUO Xiaoli, ZHANG Li, SONG Kaiwei, ZHANG Mingjiang
2025, 74 (15): 154201. doi: 10.7498/aps.74.20250432
Abstract +
In recent years, with wide spread applications of high-sensitivity single-photon detectors, especially in the fields of quantum imaging and optical imaging, many important achievements have been made. and micro light imaging technology based on single-photon level has gradually become an important branch of high-resolution imaging systems. At present, the main single-photon detectors are single-photon counting avalanche diode (SPAD) sensors and support pixel arrays of different sizes, ranging from single-pixel detector sizes to tens of thousands of pixel SPAD arrays. The process structure of single-pixel SPAD detectors is relatively simple, and they are often used as the first choice for low-light imaging due to their high sensitivity, small size, and low cost. However, due to the lack of spatial resolution, single-pixel SPADs can only detect signals at a single location and cannot provide spatial information, and they are usually used in conjunction with a spatial light modulator DMD or SLM with spatial resolution to reconstruct two-dimensional (2D) images through compressed sensing or quantum correlation. Although single-pixel detectors can provide ns-level or even ps-level temporal resolution, they are limited by the frame rate of the spatial light modulator (SLM). For example, the fastest digital micromirror device (DMD) is a type of SLM with a frame rate of 22 kHz, which means that the imaging rate of a single-pixel camera is typically limited to seconds, and this camera typically uses an SPAD and an SLM for single-photon imaging tasks. This makes it a challenge to significantly improve the imaging speed, especially when higher imaging resolution is required, such as those exceeding hundreds of thousands of pixels. Assuming that the imaged object is a fast-moving dynamic target, a few seconds of imaging rate will inevitably lead to dynamic blurring, which also poses a challenge to the fast real-time performance of single-photon imaging systems.The SPAD array sensor retains the excellent sensitivity, low dark count rate, and high temporal resolution of single-pixel SPAD sensors. Due to the improvement of the fabrication process, multiple sensors and readout circuits are fabricated on the same chip, thus leading to the development of spatially resolved SPAD array camera. However, the integrated design of SPAD arrays with multiple pixels and circuits inevitably leads to cross-crosstalk between pixels. This crosstalk can significantly affect the accuracy of the signal. Additionally, the fill factor of such array cameras is typically low. Although the fill factor can be improved by methods such as three-dimensional (3D) stacking and microlens arrays, the spatial utilization is still to be improved in comparison with single-pixel SPADs. However, it is undeniable that SPAD arrays perform well in high dynamic range photon flux detection and high frame rate photon counting measurements due to the parallel processing of multiple detectors. Currently, commercial SPAD arrays integrate hundreds of thousands of detector pixel units, thereby providing excellent spatial resolution. Unfortunately, due to manufacturing processes and various challenges, the SPAD array cameras have been used in high-quantification bit deep sampling mode to acquire high-resolution single-photon intensity imaging. Its exposure time is limited to milliseconds. It is difficult to avoid dynamic blurring during the imaging exposure time when the motion frequency of the dynamic target reaches kHz or higher. Although the quantification bit depth can be sacrificed to shorten the minimum exposure time of array camera to the ns level, too short an exposure time can result in the SPAD array capturing the sparse photon data contaminated by a large amount of noise. Therefore, reliable photon denoising methods need to be developed. These methods are essential for effectively separating background noise from the actual signals, thereby improving the signal-to-noise ratio of the imaging system. Therefore, the real-time performance of the imaging system at the expense of quantification sampling accuracy still needs to be further optimized.In order to solve the problem of limited imaging quality and rate of SPAD arrays under very short exposure times, we propose a single-photon imaging enhanced deep neural network combined with super-resolution deep learning in this work. By constructing a single-photon image dataset with dynamic exposure times and conducting adaptive training, high-fidelity reconstruction of low signal-to-noise ratio single-photon images can be achieved under ultra-short exposure time. In the experiments, the enhanced reconstruction of low-quality fan images (PSNR/SSIM, 6.54 dB/0.18) under very low-light conditions is achieved, with an exposure time of only 1 μs and an average photon number of less than 0.5 photons (PNSR/SSIM, 13.21 dB/0.34). And the images are effectively improved by +7.21 dB/+0.16 for PSNR and SSIM. The passive remote enhanced reconstruction is performed on the drone at a distance of 5.19 km, with an imaging exposure time of 5 μs, and an effective PSNR and SSIM enhancement of +4.78 dB/+0.2. This method provides a new technical solution for SPAD arrays for achieving ultra-fast-exposure high-quality imaging.
Design of acoustic cloaking for spoof surface waves based on double-sided acoustic metasurface
MA Chikai, CHU Zhihan, FAN Zihao, ZHOU Zixiang, LIN Tiantian, LI Chengxuan, LI Haoxiang, YANG Yu
2025, 74 (15): 154301. doi: 10.7498/aps.74.20250379
Abstract +
In recent years, people have increased their efforts to use spoof surface acoustic waves (SSAWs) to achieve subwavelength-scale modulation. However, obstacles on the transmission path often cause strong scattering of SSAWs, which limits their practical applications in communications and other fields. In this paper, we propose a new type of acoustic metasurface that supports the SSAWs’ propagation on both sides and design an acoustic stealth device based on such a metasurface. This metasurface is composed of periodically arranged Helmholtz resonators with bidirectional apertures, whose unique structure enables SSAWs to achieve interlayer transitions between the top surface and bottom surface. Remarkably, the total thickness of the structure is only 1/20 of the incident wavelength, exhibiting obvious subwavelength characteristics. We theoretically calculate the dispersion curve of SSAWs, and establish the dependency relationship between the propagation wave vector and the structural parameters. By optimizing the structural parameters of the double-sided metasurface, the wave vector matching during propagation is ensured, thereby achieving efficient transitions with minimal losses between the top and bottom surfaces. We construct a “sound-transparent path” through numerical simulations, allowing waves to bypass obstacles without scattering, and demonstrate that thermoviscous effects exert a negligible influence on transmission efficiency. Furthermore, an experiment is carried out to validate this metasurface’s dual-sided wave-manipulation capability, which demonstrates that the SSAWs maintain their wavefronts during interfacial propagation, showing excellent robustness against large-sized obstacles. The proposed stealth device possesses notable advantages, including a lightweight structure and high flexibility, providing new research perspectives and technical pathways for manipulating SSAWs and designing acoustic devices on a deep subwavelength scale.
Mechanical behavior evolution of TATB particle system based on CT in-situ characterization under load
TAO Jie, LI Haining, DAI Bin, LAN Lingang, GUO Fei, ZHANG Weibin, NIE Fude
2025, 74 (15): 154501. doi: 10.7498/aps.74.20250272
Abstract +
TATB is currently the safest explosive in terms of safety performance. Polymer bonded explosive (PBX) formed by pressing TATB particles has important applications in military. Under the action of stress, the evolution of TATB particle system determines the microstructure and overall quality of molding grain. The molding method of PBX is usually realized by molding technology. In the process of molding, the structural evolution and mechanical properties of TATB particle system are very complex under the action of loading, and the high discreteness, strong non-linearity and bonding characteristics are difficult to characterize.In this study, a set of image processing technologies is developed for the TATB particle system by using X-μCT tomography and synchronous in-situ force loading. The TATB particles are a special composite material with multile components, irregularities, multiple particle sizes, heterogeneity, and viscoelasticity. High-quality CT images of TATB particles under force loading are obtained. A three-dimensional pore network model (PNM) of the TATB particle system is established by CT image processing and analysis. Based on the model, the evolution characteristics of key parameters such as contact number, contact area, contact strength and coordination number are obtained.The results indicate the evolutionary characteristics below. At 0–5 MPa, with the press proceeding, the stress of TATB particle system increases continuously, and the number of particle contacts in the particle system decreases, with a reduction rate of 53.3%. The total contact area decreases by 31.5%, but the average contact area of a single particle continues to increase; The strong contact and weak contact of the entire particle system show a decreasing trend, but the ratio of strong contact to weak contact remains almost unchanged, reflecting the stability characteristics of the TATB molding particle system in the external stable, linear, and slow loading process, and the average proportion of strong contact is 37.74%. The average increase rate of particle volume is 45.50%, and the curve of equivalent radius is very consistent with the curve of average particle volume. The average coordination number of the entire particle system increases from 7.27 to 9.44, and the highest coordination number is in a range of 6–10. The morphological distribution shows the characteristics of approximately normal distribution, double-peak nearly normal distribution, and flat-peak nearly normal distribution. At 5 MPa, some particles show the characteristics of rotation and adaptive rearrangement, which are consistent with the quantitative analysis of the trend of particle contact number.This study reveals the movement, deformation and fusion rules of particles in the initial stage of the forming process, achieving the three-dimensional, quantitative and in-situ analysis of the force loading process of the particle system. These results are of important scientific and engineering significance for understanding the mechanical characteristics of the explosive particle pressing process.
PHYSICS OF GASES, PLASMAS, AND ELECTRIC DISCHARGES
Analysis of power deposition characteristics of Trivelpiece-Gould wave in low magnetic field helicon plasma
LI Wenqiu, TANG Yanna, LIU Yalin, WANG Gang
2025, 74 (15): 155201. doi: 10.7498/aps.74.20250303
Abstract +
Low-field peak phenomenon, which has been observed in low magnetic helicon plasma discharge, is generally considered to have great commercial value in the field of low-cost semiconductor etching ion sources. As an important phenomenon in helicon plasma discharge, in-depth theoretical investigation on it may help us fully understand the physical mechanism behind the helicon plasma discharge.As a theoretical attempt to explore this phenomenon, which still lacks a unified explanation, we employ a plasma dielectric tensor model that better aligns with the actual discharge situation. Specifically, we use the general plasma dielectric tensor while accounting for the low temperature plasma kinetic effects and charged particle temperature anisotropy. Under typical helicon plasma discharge parameters, i.e. wave frequency ω/2π = 13.56 MHz, plasma column radius a = 3 cm, neutral gas pressure pAr = 0.5 mTorr, plasma density n0 = 1 × 1011 cm–3, and ratio of axial ion temperature to axial electron temperature Ti, z/Te, z = 0.1, we theoretically investigate the dispersion characteristics and wave number relations of Whistler waves, the mode coupling between helicon and Trivelpiece-Gould (TG) waves, and the power deposition properties of TG wave in low magnetic field circumstances. Analytical results suggest that under low electron temperature Te = 3 eV and low magnetic field (B0 < 48 G) circumstances, the high-order (|s| > 1) electron cyclotron harmonics can be ignored; the electron finite Larmor radius effect should be considered, while the ion finite Larmor radius effect can be ignored; the collision effect (collision damping) among particles completely changes the dispersion characteristics and wave number relations of the Whistler waves; for the helicon and TG waves, the value B0, mcs (where the mode coupling surface (MCS) is located) decreases with the increase of the axial wave number, meanwhile, the collision effect greatly affects the mode coupling characteristic of helicon and TG waves near the mode coupling surface; collision damping and Landau damping respectively dominate wave power deposition in different axial electron temperature ranges; in the typical helicon plasma electron temperature range, Te, z ∈ (3, 8) eV, the TG wave (m = 0, n = 1) mode dominates the power deposition; for the TG wave (m = 0, n = 1) mode, its power deposition peaks at the central axis of the plasma column, for low perpendicular electron temperature and low magnetic field, Landau damping dominates the power deposition, while under high perpendicular electron temperature and higher magnetic field, the collision damping dominates the power deposition.These conclusions not only further deepens our understanding of the low magnetic field density peak phenomenon at the theoretical level, but also provides new clues for fully revealing the mechanism of helicon discharge mechanism.
Establishment and validation of three-dimensional simulation model for magnetron sputtering of rotating cylindrical cathode
MA Ziqi, XU Qiang, XIAO Mengran, TANG Shiyi, TAO Zhiqun, YANG Dongjie, AN Xiaokai, LIU Liangliang, CUI Suihan, WU Zhongzhen
2025, 74 (15): 155202. doi: 10.7498/aps.74.20250570
Abstract +
Rotating cylindrical cathodes possess high theoretical target utilization rates and have been widely used in thin film deposition in various industries. Regarding plasma research, the plasma discharge and transport processes of rotating cylindrical cathodes involve three-dimensional systems, unlike those of planar cathodes. Traditional plasma models applied to these systems require a large quantity of computational resources and have poor convergence, making simulation difficult. In this context, the plasma density and electric potential distributions are calculated by a two-dimensional particle-in-cell/Monte Carlo collision (PIC/MCC) model, and they are used as a self-consistent background field in this work. Furthermore, a three-dimensional electron Monte Carlo method is used to track electron motion, so that three-dimensional plasma discharge simulation can be performed. On this basis, using plasma density projection as the etching flux and the cellular automata method, the rotational etching process of the cylindrical cathode is decomposed into stepwise micro-element static etching, thereby achieving three-dimensional etching behavior simulation. Subsequently, the etched target morphology is equivalently treated as the emission flux of In and Sn atoms, and a three-dimensional test particle Monte Carlo method is employed to trace their motion, realizing three-dimensional particle deposition simulation. Thus, a comprehensive three-dimensional simulation system is constructed through incorporating the cathode magnetic field, plasma discharge, target etching, and thin-film deposition into a complete simulation chain. The results indicate that this three-dimensional simulation system can accurately predict the operating conditions of cylindrical cathodes. The plasma stably accumulates on the cylindrical cathode surface, forming a three-dimensional discharge race track. The simulated etching profile is consistent with experimental result, showing the precise matching of the feature points with the residual thickness of the target. The utilization rate of the target material is 85.81%, with an error of less than 2% compared with that of the measurement. The molar ratio of In/Sn on the substrate is 11.76, with an error of 6.6% compared with the results measured by energy dispersive spectroscopy. The particle distribution on the substrate matches the actual film thickness distribution, with a uniform deposition length of 1730 mm, representing an error of only 1.1% compared with corresponding actual value.
CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES
Nanoscale surface effects of SiO2/Si heterostructures and failure criterion of elasticity theory
MING Wei, ZHANG Tao, WEN Zhijing, LI Lekang, GONG Pengjie, ZHANG Guangming
2025, 74 (15): 156201. doi: 10.7498/aps.74.20250456
Abstract +
The rapid advancement of micro-nano acoustic devices has led their core acoustic structures to shrink to the nanoscale level. The influence of surface effects on the mechanical properties of thin-film materials on a nanoscale becomes increasingly prominent, and the classical elasticity theory struggles to accurately describe their mechanical behavior on this scale. In this paper, a mechanical model of nano-SiO2/Si heterostructured thin films that considers surface effects is developed using surface elasticity theory. This model incorporates the key parameter of surface energy density. In this paper, a mechanical model of heterostructured nano-SiO2/Si films is developed using the surface elasticity theory, incorporating surface effects through the introduction of surface energy density as a key parameter. Using the Fourier integral transform method, analytical expressions for stress and displacement fields under surface traction are systematically derived, revealing the influence of surface effects on the mechanical behavior of materials on a nanoscale by comparing the analytical solution with that from the classical theory. The results show that when the surface stress distribution deviates by 3% from that predicted by the classical theory, the microscopic properties of the material become significant, and the surface effect cannot be ignored in a range of five times the width of the excitation region 2a. As the size of the excitation region decreases, the surface effect is significantly increases and the stress distribution within the excitation region and near the boundary becomes more concentrated than the counterparts in the classical theory. The shear stress is no longer zero, and an extreme value is observed at the boundary, which is significantly different from that predicted by the classical theory of elasticity. The transverse and longitudinal displacements are reduced compared with those from the classical theory, and the surface stiffness and deformation resistance of the material are greatly enhanced. Significant surface effects occur on nano-heterostructure thin films, leading to large deviations in stress and displacement distributions from the results of elasticity theory. Therefore, the classical elasticity assumptions are no longer applicable in the corresponding nanoscale range. The results demonstrate that the propagation of ultrahigh-frequency nano- length acoustic waves in nanoscale solid film surfaces is significantly affected by the scale effect. The failure of the classical elastic wave theory on a nanoscale is of great value for the study of nanoscale acoustic theory. Furthermore, these findings provide a theoretical basis for the subsequent development of more precise models of interfacial effects and a more detailed investigation of the influence of the film-substrate modulus ratio.
Numerical study of ultrasonic propagation and shock wave formation in concentration dependent fibrin clots
MO Fan, ZHANG Xiaomin, ZHAO Zhipeng, WU Qiong, ZHENG Chaochao, ZHANG Linlin, ZHAO Libo, CHENG Ke, LIU Shudong, TANG Ge
2025, 74 (15): 156202. doi: 10.7498/aps.74.20250555
Abstract +
Ultrasound thrombolysis stands out among various treatment methods due to its safety and high efficiency. Although the cavitation and mechanical mechanisms behind this technique have been well-established, the effect of the concentration-dependent strain hardening properties of thrombotic biomaterials on ultrasound-induced shockwave effects remains a subject of concern. Furthermore, the extremely short time window for effective clinical intervention requires precise spatial localization of rapidly formed shockwaves and determination of their energy thresholds for optimizing treatment protocols.Considering that the main mechanical properties of blood clots are dominated by the fibrin network, their stress-strain relationship is significantly dependent on fibrin concentration. Based on the results obtained from quasi-static compression tests performed on clots with different fibrin concentrations, a power-law constitutive equation capable of characterizing the progressive hardening characteristics of clots is proposed in this work. By incorporating the changes in wave speed caused by strain-hardening characteristics into a third-order nonlinear ultrasound propagation wave equation, the dynamic characteristics of shock wave formation during ultrasound propagation in clot media are studied via numerical simulations. The results show that the significant stress discontinuity prior to this process is due to a sudden displacement change caused by the progressive hardening of the clot. In order to accurately locate the starting position, the average steepening factor (ASF) based on threshold limitation is used for localization. However, this method is severely limited by the problem of mesh convergence, and the improvement in finite accuracy leads to an exponential increase in computation time. In contrast, the total harmonic distortion (THD) using the extremum of frequency-domain energy for localization is less sensitive to truncation errors and provides computational efficiency advantages. Parametric analysis indicates that a maximum localization error between the two methods is 2.55%, and the peak stress determined by the THD criterion is much higher than that determined by the ASF method.Based on experimental fitting of constitutive equations at different concentrations, numerical simulations of wave propagation show that according to the THD criterion, the increase in fibrin concentration from 10 mg/mL to 35 mg/mL delays the formation of shockwave by 91.7% and increases the peak stress by 60%. Corresponding fitting formulas are derived. Through real-time THD feedback and acoustic field parameter adjustment, a theoretical basis is provided for rapidly localizing and flexibly controlling shockwave effects in clinical ultrasound thrombolysis.
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES
First-principles study of adsorption behavior of single water molecule on (111) and (110) surfaces of PuO2
MA Tengfei, ZHU SongLin, SONG Jialu, YU You, TIAN Xiaofeng
2025, 74 (15): 157101. doi: 10.7498/aps.74.20250082
Abstract +
Plutonium dioxide, as one of the primary materials for nuclear fuel, serves as a critical component in fast neutron reactor fuel and mixed oxide (MOX) fuel due to its distinctive physical and chemical properties. It can significantly enhance the utilization efficiency of uranium and diminish the demand for natural uranium resources. Moreover, plutonium dioxide constitutes an essential component of spent nuclear fuel. However, during long-term storage, oxygen vacancies on its surface can facilitate hydrogen release under the influence of water molecules, thereby posing potential risks to nuclear safety. Therefore, it is crucial to have a deep understanding of the interaction mechanism between water molecules and the plutonium dioxide surface. Such insights provide valuable theoretical guidance for ensuring the safe storage of spent nuclear fuel., The adsorption behavior of H2O molecules on the PuO2 (111) and (110) surfaces, as well as the effects of oxygen vacancies and excess electrons on these surfaces, is investigated numerically based on the first-principles calculations in this work. The simulation results show that the PuO2 (111) surface is very stable compared with the PuO2 (110) surface, indicating that PuO2 (110) is more prone to oxygen vacancies. For the adsorption of water molecules on PuO2 (111) and (110) surfaces, the plutonium atom vertex site is identified as the only stable adsorption site, with one hydrogen atom of the water molecule preferentially bonding to a surface oxygen atom. Due to the higher reactivity of the PuO2 (110) surface than that of the stoichiometric PuO2 (111) surface, water molecules exhibit molecular adsorption configurations on the latter, while dissociative adsorption configurations are favored on the former. Using the CI-NEB method, the energy barriers for the dissociation of the first hydrogen atom on stoichiometric surfaces of PuO2 (111) and (110) are determined to be 0.11 eV and 0.008 eV, respectively. In contrast, the energy barriers for complete dissociation are 0.85 eV and 1.02 eV, respectively, which are significantly higher. For reduced PuO2 (111) surfaces containing surface oxygen vacancies, the energy barrier for H2 production via water decomposition is calculated to be 3.31 eV. On the over-hydrogenated PuO2 (111) surface, the energy barrier for H2 production decreases markedly to 1.92 eV, providing theoretical insights into the mechanism of hydrogen release during nuclear fuel storage.
Enhancement mechanism of magnetic emission performance of PZT MFC/Metglas magnetoelectric composites by MoS2-modified adhesive layer
YOU Shiyue, QIN Zhi, MA Liang, SHI Dengcai, SHEN Jie, JIN Wei, ZHOU Jing
2025, 74 (15): 157501. doi: 10.7498/aps.74.20250482
Abstract +
The magnetoelectric (ME) antenna based on the piezoelectric resonance principle can solve the problems of large size and high power consumption of traditional low-frequency electrical antennas. However, the acoustic impedance mismatch between the adhesive layer in the magnetoelectric composite and the piezoelectric and ferromagnetic phases significantly hinders the stress transfer in the magneto-mechanical-electric coupling process, ultimately limiting the magnetic radiation intensity of the magnetoelectric composite. To improve the magnetic emission performance of the PZT MFC/Metglas magnetoelectric composite, in this work, the two-dimensional filler MoS2 is adopted to fill and modify the adhesive layer of the PZT MFC/Metglas magnetoelectric composite, aiming to improve the acoustic impedance match between the adhesive layer and the ferroelectric and ferromagnetic phases. The influence of the MoS2 content on the magnetic emission intensity of the PZT MFC/Metglas magnetoelectric composite is systematically studied. The results show that when the filling weight percent of MoS2 is 1%, the magnetic emission intensity of the PZT MFC/Metglas magnetoelectric composite can reach 331 μT under the optimal bias, which is 1.5 times higher than that of the magnetoelectric composite without MoS2 filling. At a distance of 1 m, the magnetic emission intensity can reach 2.7 nT. The stress wave transfer mechanism in the electro-mechanical-magnetic coupling is discussed in conjunction with acoustic impedance matching theory. In addition, the amplitude shift keying modulation method demonstrates the lossless signal transmission capability of the magnetoelectric antenna composed of MoS2-modified PZT MFC/Metglas magnetoelectric composite. This method of optimizing the interfacial adhesive layer is simple and effective to expand the magnetoelectric response by increasing the stress wave transfer efficiency. Meanwhile, it provides a feasible solution for communication systems such as low-frequency underwater communication, underground sensing, and distributed wireless networks.
Dynamically tunable multi-frequency modulator via triple plasmon-induced transparency in graphene metasurfaces
ZHANG Wenjie, ZHANG Xiaojiao, HU Shunan, ZHAN Jie, GAO Enduo, WANG Qi, NIE Guozheng
2025, 74 (15): 157801. doi: 10.7498/aps.74.20250488
Abstract +
Plasmon-induced transparency (PIT) is a class of electromagnetically induced transparency phenomenon that enhances the interaction between light and matter, thereby improving the performance of nano-optical devices. However, traditional PITs usually rely on near-field coupling between bright modes and dark modes. In order to break through the limitation of this mechanism, in this study we propose a dual-polarized graphene hypersurface structure, which consists of four groups of symmetric L-shaped graphene surrounding cross-shaped hollow graphene, forming a triple PIT through the synergistic effect between two single PITs. The accuracy of the results is verified by simulating the transmission spectra using the finite-difference time-domain, which is highly similar to that of the coupled-mode theory results. It is found that by modulating the Fermi energy levels and carrier mobility, this structure exhibits a group refractive index of up to 500 as a slow-light device, demonstrating excellent slow-light control capability. As a polarizing device, this structure has dual polarization characteristics and can generate a triple PIT window under both x and y polarized light incidence. In particular, the resonant frequency f6 is not affected by the direction of polarization of the incident light. This good stability and resistance to interference in various polarized light conditions are particularly important for designing polarization devices. Meanwhile, we adjust the length parameter of graphene L2 and find that the resonance frequency f6 is still highly stable, showing a better tolerance to structural changes. Therefore, in this study, a multifunctional integrated device with slow light modulation and polarization selection in one device is designed, providing new theoretical guidance and research directions for synergistic effects based on polarization insensitivity.
Effect of Sc2O3 doping on thermal emission properties of rare-earth refractory yttrium salt cathode
QI Shikai, WANG Xingqi, LI Yun, ZHANG Qi, WANG Yu
2025, 74 (15): 157901. doi: 10.7498/aps.74.20250520
Abstract +
To improve the thermionic emission performance of the rare-earth refractory yttrium salt cathode used in the magnetron, the influence of Sc2O3 doping on its thermionic emission properties is investigated. Cathodes are fabricated by incorporating different weight percentages of Sc2O3 into the rare-earth refractory yttrium salt matrix, and their thermionic emission properties are systematically evaluated. The experimental findings reveal that the doping of Sc2O3 significantly enhances the thermionic emission capability of the cathode. Notably, Sc2O3 with a doping concentration of 3% has the most significant improvement in emission performance. The 3% Sc2O3-doped cathode can achieve a thermionic emission current density of 3.85 A/cm2 under an anode voltage of 300 V at 1600 ℃. In contrast, under the same conditions, the undoped cathode provides a current density of only 1.66 A/cm2, indicating a 132% increase in thermionic emission efficiency when doped with 3% Sc2O3. By using the Richardson line method coupled with data-fitting algorithms, the absolute zero work functions for undoped and Sc2O3-doped cathodes (3%, 7%, and 11%) are determined to be 1.42, 0.93, 0.98, and 1.11 eV, respectively. The lifespan assessment indicates that at 1400℃ the cathode doped with 3% Sc2O3 remains stable for over 4200 h under an initial load of 0.5 A/cm2 without significant degradation. Finally, those cathodes are analyzed by the XRD, SEM, EDS, AES respectively. The analyses show that during thermionic emission testing, the Sc2O3 and Y2Hf2O7 undergo substitutional solid solution reactions, forming the ScxY(2–x)Hf2O[7+(3/2)x] solid solution. This process causes lattice distortion in the Y2Hf2O7, which makes it in a high-energy state, thus reducing the work function on the cathode surface. At the same time, Sc from Sc2O3 displaces Y in the Y2Hf2O7 unit cells, with the displaced Y existing in the form of metal, which enhances the electrical conductivity of the cathode surface. Additionally, the ScxY(2–x)Hf2O[7+(3/2)x] solid solution generates a substantial number of Vo2+ oxygen vacancies and free electrons, thereby further augmenting surface conductivity. All in all, these mechanisms contribute to significantly improving the thermionic emission capability of the cathode.
Effects of crystal rotation on 6-inch SiC crystal growth by top-seeded solution growth method
YANG Yao, LI Zaoyang, GAO Junhao, QI Chongchong, LI Dengnian, WU Guanghui, LIU Lijun
2025, 74 (15): 158101. doi: 10.7498/aps.74.20250595
Abstract +
The top-seeded solution growth (TSSG) method is a critical technique for growing low-defect and high-quality silicon carbide (SiC) single crystals. A comprehensive numerical analysis model including induction heating, heat and mass transfer is developed for growing 6-inch SiC single crystals. The coupling effects of Lorentz force, centrifugal force, thermal buoyancy force and surface tension on the solution flow are considered, and the effects of crystal rotation speed on the velocity field, temperature field, carbon concentration field, crystal growth rate and carbon dissolution and precipitation on the crucible wall are systematically investigated. The results indicate that the Lorentz force in the solution results in a more complex flow field at low crystal rotation speeds. The crystal rotation speed should be controlled within the appropriate range to ensure that the carbon concentration distribution beneath the growth interface determined by the transport mode is coordinated with that at the growth interface determined by the temperature, which is beneficial for the uniform and high growth rate of SiC single crystals. Low rotation speeds reduce the growth rate of SiC single crystals, while high rotation speeds lead radial uniformity of growth rate to decrease. At a rotation speed of 25 r/min, the average growth rate of SiC single crystals is higher and the radial distribution uniformity is better. Further analysis is conducted on the dissolution and precipitation of carbon at the solution-crucible interface, and the regions, where the crucible wall dissolves quickly and SiC polycrystalline particles are generated, are located. The transport directions of polycrystalline particles are predicted based on the velocity field. The research results provide a scientific basis for growing 6-inch SiC single crystals by TSSG method.
Morphology control of Au@Ag nanocuboids
WANG Zhiyuan, ZHANG Hui
2025, 74 (15): 158102. doi: 10.7498/aps.74.20250602
Abstract +
Au@Ag core-shell nanoparticles have emerged as a promising platform for photonic applications due to their synergistic integration of gold’s biocompatibility and silver’s exceptional plasmonic properties. And nanoparticles with sharp corners exhibit electron accumulation at the tips under electromagnetic fields, generating enhanced localized electric fields. This phenomenon facilitates their applications in fields such as surface-enhanced Raman spectroscopy and strong coupling interactions. So, when Au@Ag core-shell nanoparticles possess sharp corners, they will exhibit excellent performance in trace molecule detection, biosensing, and catalytic applications. By using gold nanorod (AuNR) seeds with different dimensions and adjusting the volume of silver precursors, the seed-mediated synthesis of Au@Ag nanocuboids with adjustable morphology, size and surface plasmon resonance is systematically investigated in this work. Key synthesis parameters, including AuNR diameters, aspect ratios, and AgNO3 volumes, are modulated to realize the morphological, size and optical control. In experiments of adjusting the size of AuNR seeds for synthesizing Au@Ag nanocuboids, as the diameter of AuNR decreases from (136.5 ± 5) nm to (11.2 ± 2) nm and its aspect ratio increases from 1.39 to 8.20, the aspect ratio of Au@Ag nanocuboids increases from 1.18 to 2.69. Notably, when the diameter of AuNR is below 100 nm, the sharpness of the corners of Au@Ag nanocuboids is progressively improved with the increase of diameter and decrease of aspect ratio of the AuNRs. However, when the AuNR diameter exceeds 100 nm, the corners of the synthesized Au@Ag nanocuboids exhibit truncation. Meanwhile, the extinction spectrum reveals that apart from the broadened and indistinct peaks caused by the size effect, Au@Ag nanocuboids can primarily excite the longitudinal plasmon resonance mode, transverse plasmon resonance mode, and octupolar plasmon resonance modes. Furthermore, the plasmon resonance peaks exhibit corresponding shifts in response to changes in the size and morphology of Au@Ag nanocuboids. Meanwhile, neither the characterization results of high-resolution transmission electron microscopy nor selected area electron diffraction shows {111} crystal planes, indicating that the Au@Ag nanocuboids with the sharpest corners are not truncated and exhibits an exceptional morphology. And the results from high-angle annular dark-field scanning transmission electron microscopy combined with energy-dispersive X-ray spectroscopy reveal that the silver shell exhibits anisotropic growth features on the gold core, with its transverse thickness being significantly greater than the longitudinal thickness. Besides, Au@Ag nanocuboids’ dimensions are linearly regulated by the volume of AgNO3 (100 mmol/L) from 5 μL to 30 μL, yielding tunable lengths ((110.3 ± 7.8) nm to (141.3 ± 5.5) nm), widths ((59.7 ± 2.1) nm to (103.7 ± 5.6) nm), aspect ratios (1.85 to 1.36) and corresponding plasmon resonance peaks as validated by SEM and extinction spectrum. The simulation results of their extinction spectra are in better agreement with the experimental measurements. For the nanocuboid with an aspect ratio of 1.45, as the sharpness of the top corners decreases (r/L = 0.2%–11.5%), the strength of the electric field at the corners shows a trend of first increasing and then decreasing, with the maximum electric field enhancement observed at r/L = 0.5%.This work synthesizes Au@Ag nanocuboids with controllable sharpness of corners and dimension by adjusting the size and aspect ratio of AuNRs or changing the quantity of silver precursors. The method proposed in this study for synthesizing sharp-cornered Au@Ag nanocuboids provides possibilities for customized fabrication of Au@Ag nanocuboids, thereby expanding their application prospects in nanophotonics, catalysis, sensing, photothermal therapy and other fields.

EDITOR'S SUGGESTION

Molecular dynamic simulation study on co-aggregation between amyloid-β and Medin
PAN Wenyan, CHENG Chuanyong, NIU Jingjing, YUAN Bing, YANG Kai, DONG Xuewei
2025, 74 (15): 158701. doi: 10.7498/aps.74.20250616
Abstract +
The aggregation of Medin is closely related to the arterial wall degeneration and cerebrovascular dysfunction. In patients with vascular dementia or Alzheimer’s disease, the concentration of medin in cerebral arterioles increases, and Medin is co-localized with vascular amyloid-β (Aβ) deposits. Previous study demonstrates that Medin interacts directly with Aβ, forming heterologous fibrils with Aβ and promoting Aβ aggregation. However, the basic mechanism of the co-aggregation between Medin and Aβ remains largely elusive. Here, we explore the interactions and conformational ensembles of Aβ42/Medin trimers in different peptide environments (self-aggregation vs. co-aggregation) by performing all-atom replica exchange molecular dynamic simulation on Aβ42/Medin homotrimers and Aβ42-Medin heterotrimer with an accumulated simulation time of 72 μs. Our results reveal that Aβ42 exhibits higher affinity with Medin, and Aβ42 and Medin have similar molecular recognition sites in self-aggregation and co-aggregation. The N-terminus of Aβ42 and the C-terminus of Medin play critical roles in Aβ42-Medin cross-talk. More importantly, co-aggregation significantly changes the interaction strength, binding patterns and structural characteristics of Aβ42 and Medin. Intermolecular interactions of Aβ42 trimers are relatively weak among three trimers, and the binding sites are concentrated between N- and N-termini, between N- and C-termini, and between C- and C-termini of Aβ42. In contrast, intermolecular interactions of Medin trimers are the strongest, and the binding sites are widely and uniformly distributed in Medin peptides. Intermolecular interactions of Aβ42 in Aβ42-Medin heterotrimer decrease compared with those of Aβ42 trimers, only the binding of the hydrophobic core regions (16KLVFFA21) is retained and other regions of Aβ42 gain increase flexibility. Two-dimensional free energy landscapes reveal distinct conformational diversities between the homo- and heterotrimers, with the order of diversity being Medin/Aβ42-Medin trimers > Aβ42 trimers. The Rg of Aβ42 trimers is smaller than those of the other two trimers, implying that Aβ42 trimers possess a more compact structure, whereas Medin/Aβ42-Medin trimers exhibit a relatively loose conformation. The Aβ42 trimers possess the highest β content whereas Medin trimers exhibit the lowest β probability. It is found that Aβ42-Medin co-aggregation induces Medin to form more β-structures with longer lengths and fewer helices, while promoting Aβ42 to form more helices and fewer β-structures. High β-propensity regions of Medin in heterotrimers shift towards the C-terminus of Medin, suggesting that Medin utilizes its C-terminal β region as a core motif to drive its co-aggregation with Aβ42. These results elucidate the detailed influences of co-aggregation on the interactions and conformations of Aβ42 and Medin. This work provides key insights into the molecular mechanism of Aβ42-Medin co-aggregation and the pathological mechanisms of cross-linking between related diseases.

EDITOR'S SUGGESTION

Effect of fluorescent labeling on RecA-mediated homologous recombination strand exchange
WANG Libang, WANG Hao, LI Ming, LU Ying, XU Chunhua
2025, 74 (15): 158703. doi: 10.7498/aps.74.20250484
Abstract +
Homologous recombination is a central mechanism for maintaining genome stability and biodiversity. RecA, as the first discovered homologous recombinase, plays a crucial role in homologous recombination strand exchange. In recent years, with the development of structural biology, significant breakthroughs have been made in understanding the static structure of the RecA nucleoprotein filament. However, research on the kinetic process of homologous recombination strand exchange mediated by RecA continues to encounter significant challenges. Research into the dynamic process has been ongoing for decades. In recent years, the use of single-molecule techniques has resulted in significant breakthroughs in this field. Among these techniques, single-molecule fluorescence resonance energy transfer (FRET) technology is widely used due to its ultra-high temporal and spatial resolution, making it well suitable for studying RecA-mediated homologous recombination strand exchange. However, the fluorescent labels required for FRET experiments may affect the RecA-mediated strand exchange process, which is often overlooked by researchers. Most of related articles focus on the effect of fluorescent labels on local structure. This paper primarily examines the effect of DNA fluorescent labeling on protein function, focusing on its effects on strand exchange from two perspectives: strand specificity and conformational sensitivity of the fluorescent labeling. Using experiments such as double-strand binding, single-strand invasion, and strand exchange, we develop a labeling scheme with the minimal effect—9 bp spaced C-strand double-base labeling in triplet— that can effectively improve the efficiency of studying the homologous recombination process. This result enhances the understanding of the effect of fluorescent labeling, allowing researchers to rapidly optimize the position and method of fluorescent labeling, and reduce its negative effects on the strand exchange process. Moreover, it provides some inspirations for other fluorescent labeling experiments.