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2606.03562 2026-06-03 physics.med-ph

Magnet-Free Proton Therapy with 4D Pencil Beam Delivery Optimisation

无磁铁质子治疗与四维笔形束递送优化

Nair N von Muehlenen, Florentin Bieder, Ye Zhang, Philippe C Cattin

AI总结 提出一种四维笔形束递送策略,通过将呼吸运动纳入动态治疗计划,在无磁铁和无机架配置下实现移动肿瘤的质子治疗,并评估其剂量适形性和治疗效率。

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AI中文摘要

目的. 运动管理是移动肿瘤质子治疗中的关键挑战。本研究旨在开发并评估一种新颖的四维(4D)笔形束递送策略,该策略将呼吸运动纳入动态治疗计划,以提高剂量适形性和治疗效率。方法. 为评估此4D笔形束递送策略,使用了移动体模。生成的4D治疗计划在各种扫描仪配置下进行评估,包括无机架和无磁铁扫描头。对于每种设置,量化了治疗时间、剂量适形性以及对不规则呼吸模式的鲁棒性。评估了扫描头设计和患者特异性运动不规则性对整体计划质量的影响。主要结果. 4D规划工具生成的计划在所有配置下均实现了临床可接受的剂量分布。在无磁铁配置中,静态束流操作显著增加了治疗时间并降低了剂量适形性。相比之下,使用单个扫描磁铁且无机架的配置在可接受的治疗时间内保持了适形性。意义. 所提出的4D递送策略展示了使用简化的无机架和无磁铁扫描头设计治疗移动目标的可行性。通过将患者呼吸与4D递送同步,可进一步改善不规则或中断呼吸期间的剂量准确性。通过降低系统复杂性同时保持剂量学性能,该方法为运动影响肿瘤的质子治疗提供了一条更易获得且成本效益更高的途径。

英文摘要

Objective. Motion management is a critical challenge in proton therapy for mobile tumours. This study aims to develop and evaluate a novel four-dimensional (4D) pencil beam delivery strategy that incorporates respiratory motion into a dynamic treatment plan to improve dose conformity and treatment efficiency. Approach. To assess this 4D pencil beam delivery strategy, a mobile phantom was used. The generated 4D treatment plans were assessed with various scanner configurations, including gantry-free and magnet-free scanner heads. For each setup, the treatment time, dose conformity, and robustness against irregular breathing patterns were quantified. The influence of scanner head design and patient-specific motion irregularities on overall plan quality was evaluated. Main Results. The 4D planning tool generated treatment plans that achieved clinically acceptable dose distributions across all configurations. In magnet-free configurations, static beam operation substantially increased treatment time and reduced dose conformity. In contrast, configurations using a single scanner magnet, without a gantry, maintained acceptable conformity within practical treatment times. Significance. The proposed 4D delivery strategy demonstrates feasibility for treating mobile targets with simplified, gantry-free and magnet-free scanner designs. Further improvements could be achieved by synchronising the patient's breathing with 4D delivery, which may enhance dose accuracy during irregular or interrupted breathing. By reducing system complexity while preserving dosimetric performance, this approach offers a pathway toward more accessible and cost-effective proton beam therapy for motion-affected tumours.

2606.03555 2026-06-03 physics.flu-dyn

Passive transverse forcing of turbulent boundary-layer flow using sinusoidal surface grooves

利用正弦表面沟槽对湍流边界层流进行被动横向强迫

Max W. Knoop, Bas W. van Oudheusden, Luuk Pelkmans, Ferry F. J. Schrijer

AI总结 实验研究平行蜿蜒流向沟槽的被动横向强迫效应,发现诱导的会聚-发散流动模式由侧向压力梯度周期性和表面几何形状决定,但摩擦阻力减少潜力有限。

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AI中文摘要

一种由平行、蜿蜒的流向沟槽组成的表面几何形状被实验研究,作为湍流边界层流被动横向强迫的替代手段。与最初的预期相反,流动并未表现出与沟槽对齐的展向均匀起伏;相反,产生了会聚-发散流动模式。这种流动模式可归因于侧向压力梯度的展向周期性。发现强迫效应最初随沟槽振幅增加而增加,但当沟槽坡度变得过陡时达到饱和。观察到的诱导流动,称为被动斯托克斯层(PSL),可视为由非光滑表面几何形状的位移效应产生的惯性(压力驱动)外部解和适应壁面无滑移条件的粘性内部解组成。横向流动产生的机制通过一个无粘流模型阐明,该模型将强迫与表面几何特性联系起来,预测与实验结果吻合良好。尽管观察到沟槽表面近壁湍流水平降低,但数据中没有直接证据表明(平均)阻力减少。相反,摩擦阻力潜力的估计基于建立与主动壁面强迫诱导的等效空间斯托克斯层(SSL)的暂定关系。这一理论比较表明,诱导的被动强迫足以作用于(主动)展向强迫机制,但最多产生百分之几的摩擦阻力减少。任何潜在的节省很可能被压差阻力和其他损失抵消,因此,类似于主动强迫,其在实际应用中实现净阻力减少的潜力有限。

英文摘要

A surface geometry consisting of parallel, meandering streamwise grooves has been experimentally studied as an alternative means of passive transverse forcing of turbulent boundary-layer flow. Contrary to the original expectation, the flow does not exhibit a spanwise-uniform undulation aligned with the grooves; instead, a converging-diverging flow pattern results. This flow pattern can be attributed to the spanwise periodicity of the lateral pressure gradient. The forcing effect is found to initially increase with the groove amplitude, but it saturates when the groove slope becomes too steep. The observed induced flow, referred to as a Passive Stokes Layer (PSL), can be considered as being composed of an inertial (pressure-driven) outer solution generated by the displacement effect of the non-smooth surface geometry, and a viscous inner solution to accommodate the no-slip condition at the wall. The mechanism of transverse flow generation is elucidated by an inviscid flow model that relates the forcing to the surface geometric properties, with predictions in good agreement with the experimental results. Although a reduction in the near-wall turbulence levels over the groove surfaces is observed, no direct evidence for (mean) drag reduction is evident from the data. Instead, an estimate of the frictional drag potential is based on establishing a tentative relation to an equivalent spatial Stokes layer (SSL) induced by active wall forcing. This theoretical comparison indicates that the induced passive forcing is sufficient to act on the (active) spanwise forcing mechanism, but produces at most a few per cent of frictional drag reduction. Any potential savings are likely offset by pressure drag and other losses, so that, similar to active forcing, its potential for net drag reduction in practical applications is limited.

2606.03480 2026-06-03 physics.optics

Optical vortex classification via machine learning

通过机器学习进行光学涡旋分类

Tobias Schneider, Boqiang Huang, Stefan Schumacher, Xuekai Ma

AI总结 本文利用机器学习仅基于强度信息对光学涡旋进行分类,通过预处理提高预测精度并缩短训练时间,揭示了算法学习机制与非线性、非厄米性和涡旋形状的关系。

Comments 6 pages, 5 figures

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AI中文摘要

光学涡旋携带量子化的相位信息(拓扑电荷),被认为是全光电路中信息处理的候选者。准确且高效地识别量子化涡旋电荷对于数据处理至关重要。在这里,我们证明仅使用强度信息,机器学习算法能够通过适当训练的模型将涡旋分类到不同的相位类别中。对原始强度数据的预处理提高了训练分类器的预测精度,并大大缩短了训练时间(快了约3个数量级)。通过基于Cohen's d计算的统计分析揭示了算法的学习机制。我们还发现训练效率与非线性、非厄米性和涡旋形状有关。在某些情况下,训练好的分类器在不同物理模型上表现良好。我们的发现将有利于并加速基于涡旋的二进制信息处理,并且可以扩展到其他物理系统。

英文摘要

Optical vortices carry quantized phase information (topological charge) and are considered candidates for information processing in all-optical circuits. Accurately identifying the quantized vortex charge in a way that is most efficient is essential for data processing. Here, we demonstrate that using only intensity information machine learning algorithms are able to classify vortices into distinct phase categories using a properly trained model. Preprocessing of the original intensity data leads to an improved prediction accuracy of the trained classifier and a much shorter training time (~3 orders of magnitude faster). The learning mechanism of the algorithms is revealed by the statistical analyses based on calculation of Cohen's d. We also find that the training efficiency is associated with nonlinearity, non-Hermiticity, and the vortex shape. In some cases, the trained classifier performs well across distinct physical models. Our findings will benefit and accelerate vorticity-based binary information processing and can also be extended to other physical systems.

2606.03450 2026-06-03 physics.optics

Ultrafast and long-term stability Integrated Pockels laser with thin-film PZT

基于薄膜PZT的超快且长期稳定的集成普克尔斯激光器

Yueyang Zhang, Chenlei Li, Tao Shu, Wei Chen, Cunyu Shi, Feng Qiu, Daoxin Dai

AI总结 利用薄膜锆钛酸铅(PZT)的普克尔斯效应实现频率捷变混合外腔激光器,具有82 nm调谐范围、5.5 ns波长切换时间和超过56.7 dB的边模抑制比。

Comments 12 pages, 4 figures

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AI中文摘要

集成可调谐激光器是相干通信、波长路由光互连、光谱学和调频连续波激光雷达的核心,然而芯片级光源很少能同时实现宽波长覆盖、纳秒级切换、高光谱纯度和稳定的高功率运行。本文展示了一种频率捷变混合外腔激光器,该激光器利用薄膜锆钛酸铅(PZT)中的普克尔斯效应实现。PZT的强线性电光响应提供了对紧凑型微环谐振器的直接、非热调谐,波长调谐效率为17 pm/V。与传统的各向异性普克尔斯材料相比,薄膜PZT的近各向同性面内电光行为放宽了晶轴布局约束,允许在紧凑型环形腔中进行高效的Vernier波长选择。PZT谐振器在运行过程中也没有表现出可测量的光折变谐振畸变和可分辨的直流偏置漂移,保持了稳定的波长选择性反馈。所演示的激光器实现了82 nm的调谐范围、5 mW的光纤耦合输出功率、超过56.7 dB的边模抑制比(SMSR)和5.5 ns的波长切换时间。这些结果确立了薄膜PZT光子学作为紧凑、高功率和频率捷变集成激光源的有力电光平台。

英文摘要

Integrated tunable lasers are central to coherent communications, wavelength-routed optical interconnects, spectroscopy and frequency-modulated continuous-wave LiDAR, yet chip-scale sources rarely combine broad wavelength coverage, nanosecond switching, high spectral purity and stable high-power operation. Here we demonstrate a frequency-agile hybrid external-cavity laser enabled by the Pockels effect in thin-film lead zirconate titanate (PZT). The strong linear electro-optic response of PZT provides direct, non-thermal tuning of compact microring resonators with a wavelength-tuning efficiency of 17 pm/V. In contrast to conventional anisotropic Pockels materials, the near-isotropic in-plane electro-optic behaviour of thin-film PZT relaxes crystal-axis layout constraints, allowing efficient Vernier wavelength selection in compact ring cavities. The PZT resonators also show no measurable photorefractive resonance distortion and no resolvable DC-bias drift during operation, preserving stable wavelength-selective feedback. The demonstrated laser achieves an 82 nm tuning range, a 5 mW fiber-coupled output power, a side-mode suppression ratio (SMSR) exceeding 56.7 dB, and a wavelength-switching time of 5.5 ns. These results establish thin-film PZT photonics as a powerful electro-optic platform for compact, high-power, and frequency-agile integrated laser sources.

2606.03404 2026-06-03 physics.ins-det

A toy model for understanding the space-point resolution of silicon pixel detectors with digital readout

理解数字读出硅像素探测器空间点分辨率的玩具模型

Marianna Mazzilli, Alexander Kalweit

AI总结 本文通过简化的解析和数值模型,量化了电荷共享对一维和二维像素几何中空间点分辨率的提升,并给出了分辨率与平均簇大小的唯象参数化公式。

Comments 11 pages, 4 figures

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AI中文摘要

硅像素探测器在高能物理实验中广泛用作靠近初级相互作用顶点的跟踪探测器。它们提供出色的空间点分辨率和快速电子读出。许多探测器仅采用数字(二进制)读出,这使得重心算法的适用性不太明显。相邻像素之间的电荷共享将分辨率提高到单像素极限以上,但在实践中缺乏对可实现增益的定量理解。这项工作提供了一个简化的解析和数值模型,通过该模型,对一维和二维像素几何中通过电荷共享可实现的最大改进进行了量化。推导了分辨率作为平均簇大小的函数的唯象参数化,并将其与来自几种探测器技术的实验数据进行了比较。

英文摘要

Silicon pixel detectors are widely used in high-energy physics experiments as tracking detectors close to the primary interaction vertex. They provide excellent space-point resolution together with fast electronic readout. Many of them employ only digital (binary) readout which makes the applicability of centre-of-gravity algorithms less obvious. Charge sharing between neighboring pixels improves the resolution beyond the single-pixel limit, but in practice there is a lack of quantitative understanding of the achievable gains. This work provides a simplified analytical and numerical model with which the maximum improvement achievable through charge sharing is quantified for both one and two-dimensional pixel geometries. A phenomenological parameterisation of the resolution as a function of the average cluster size is derived and compared to experimental data from several detector technologies.

2606.03397 2026-06-03 physics.ins-det physics.app-ph

Three-dimensional density and air-rock interface reconstruction with muography: Application to the TianQin tunnel

基于缪子成像的三维密度与空气-岩石界面重建:天琴隧道应用

Songran Qi, Tao Yu, Shihan Zhao, Yunsong Ning, Aiyu Bai, Yu Chen, Yi Yuan, Mingchen Sun, Zhirui Liu, Liang Xian, Hengye Xu, Hao Jiang, Zhichao Wang, Shuhang Zhang, Su Zhan, Jian Tang

AI总结 针对有限测量位置和稀疏数据导致的模糊伪影问题,提出优化的Metropolis-Hastings算法和反距离加权方法,实现高精度三维密度分布和空气-岩石界面重建,并通过天琴隧道实验验证。

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AI中文摘要

缪子成像是一种利用宇宙射线缪子的非侵入性成像技术,通常分为透射(吸收)和散射缪子成像。对于透射缪子成像,反演算法对重建质量至关重要。然而,当测量位置有限且数据稀疏时,广泛使用的方案可能会产生模糊伪影。我们开发了一种优化的Metropolis-Hastings(M-H)算法,该算法在不依赖辅助数据的情况下减轻模糊并恢复更清晰、更准确的密度分布。此外,我们实现了一种反距离加权(IDW)方法,从缪子测量中重建空气-岩石界面。将优化的M-H算法应用于蒙特卡洛模拟,并利用MuGrid-v2探测器对天琴隧道实验的现场数据进行处理。通过光探测与测距(LiDAR)测量验证了IDW重建的空气-岩石界面。在模拟中,优化的M-H算法在阈值5.1 g/cm³下将高密度异常检测精度从42%提高到100%,在其他阈值和低密度场景下提高了6%到42%,结合天琴隧道重建结果,证明了所提方法的有效性。

英文摘要

Muography is a non-invasive imaging technique that uses cosmic-ray muons, commonly divided into transmission (absorption) and scattering muography. For transmission muography, the inversion algorithm critically determines reconstruction quality. However, widely used schemes may produce smearing artifacts when measurement locations are limited and data are sparse. We develop an optimized Metropolis--Hastings (M--H) algorithm that mitigates smearing and retrieves sharper, more accurate density distributions without auxiliary data. Additionally, we implement an inverse distance weighting (IDW) approach to reconstruct the air--rock interface from muon measurements. The optimized M--H algorithm is applied in Monte Carlo simulations and applied to field data from the TianQin Tunnel experiment using the MuGrid-v2 detector. The IDW-reconstructed air--rock interface is validated against Light Detection and Ranging (LiDAR) measurements. In simulations, the optimized M--H algorithm improves high-density anomaly detection precision from $42\%$ to $100\%$ at threshold $5.1\,\mathrm{g/cm^3}$, with gains of $6\%$ to $42\%$ across other threshold and low-density scenarios, together with the TianQin Tunnel reconstructions, these results demonstrate the effectiveness of the proposed approach.

2606.03324 2026-06-03 physics.class-ph

The Gains, Effective Areas and Equivalent Areas of a Multiport Antenna Array

多端口天线阵列的增益、有效面积和等效面积

Frédéric Broydé, Evelyne Clavelier

AI总结 本文回顾了多端口天线阵列在指定方向上的22个参数定义,通过简单阵列示例计算并讨论了这些参数,揭示了激励变量变化和可逆无耗线性嵌入下的不变性。

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Journal ref
Excem Research Papers in Electronics and Electromagnetics 12 (2025) 1-14
AI中文摘要

我们回顾了多端口天线阵列在指定方向上的22个参数的定义:4个与激励相关的发射参数、10个与激励无关的发射参数以及8个接收参数。我们简洁地阐述了它们的主要性质。作为示例,我们在由平行偶极子天线组成的两个简单6端口天线阵列的情况下计算并讨论了这些参数。我们研究了发射过程中描述激励的变量变化的影响。这使我们能够发现“激励变量变化下的不变性”,并将一些参数与其他作者使用的参数进行比较。我们研究了MAA端口的无源线性嵌入,以揭示“可逆无耗线性嵌入下的不变性”。

英文摘要

We review the definitions of 22 parameters of a multiport antenna array operating in a specified direction: 4 excitation-dependent parameters for emission, 10 excitation-independent parameters for emission, and 8 parameters for reception. We concisely set forth their main properties. As examples, we compute and discuss these parameters in the cases of two simple 6-port antenna arrays made of parallel dipole antennas. We investigate the effect of a change of variable describing the excitation during emission. This allows us to find an ``invariance under a change of excitation variable'', and to compare some of the parameters with the ones used by other authors. We study passive linear embeddings of the MAA ports, to reveal an ``invariance under an invertible lossless linear embedding''.

2606.03295 2026-06-03 physics.ins-det

GEM Production at the FTD in Bonn

波恩FTD的GEM生产

Philip Hauer, Markus Ball, Shania Müller, Dmitri Schaab, Tim Schüttler, Rui De Oliviera, Adam Drozd, Alexis Rodrigues, Bernhard Ketzer

AI总结 本文介绍了在波恩大学FTD建立10 cm x 10 cm GEM箔片本地生产线,采用双掩模光刻和化学蚀刻工艺,并通过质量控制验证其高性能。

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AI中文摘要

本文描述了在波恩大学 Forschungs- und Technologiezentrum Detektorphysik (FTD) 建立10 cm x 10 cm气体电子倍增器(GEM)箔片的本地生产线。GEM箔片广泛应用于现代气体探测器,提供高增益信号放大和高计数率能力。我们的制造工艺采用双掩模光刻技术,在50 μm聚酰亚胺两侧覆有5 μm铜箔。将描述实现均匀孔几何形状(外孔直径70 μm,内孔直径50 μm)所需的化学蚀刻程序。质量控制协议,包括半自动光学检测和高压漏电流测试,表明我们设施生产的箔片实现了均匀的孔径分布,在空气中600 V电压下漏电流小于1 nA,且无放电热点。这些结果证实该生产链能够提供适用于研发目的的高性能箔片。

英文摘要

This manuscript describes the establishment of a local production line for 10 cm x 10 cm Gas Electron Multiplier (GEM) foils at the Forschungs- und Technologiezentrum Detektorphysik (FTD) at the university of Bonn. GEM foils are widely used in modern gaseous detectors, providing high-gain signal amplification and high-rate capability. Our fabrication process utilizes a double-mask photolithographic technique on 50 $μ$m polyimide cladded on both sides with 5 $μ$m copper. The chemical etching procedure that is required to achieve uniform hole geometries with outer hole diameters of 70 $μ$m and inner hole diameters of 50 $μ$m will be described. Quality control protocols, including semi-automated optical inspection and high-voltage leakage current tests, demonstrate that foils produced at our facility achieve uniform hole size distributions and leakage currents of less than 1 nA at 600 V in air with no discharge hotspots. These results confirm that the production chain is capable of delivering high-performance foils suitable for research and development purposes.

2606.03285 2026-06-03 physics.optics cond-mat.mes-hall

Spatially Uniform and Defect-Tolerant Plasmonic Responses in 3D printed Gold Nanoparticle Assemblies

3D打印金纳米颗粒组装体中的空间均匀和缺陷容忍等离激元响应

Vasanthan Devaraj, Sunghyun Kwak, Hyeongjip Kim, Sang-Keun Sung, Jong-Min Lee, Thomas Zentgraf, Won-Geun Kim

AI总结 通过弯月面引导组装制备三维金纳米颗粒柱,利用暗场散射和电磁模拟证明其等离激元响应具有空间均匀性和缺陷容忍性,并通过核-卫星结构实现组分可调的光学响应。

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AI中文摘要

三维金纳米颗粒(AuNP)组装体为等离激元耦合和近场工程提供了丰富的平台,但由于结构无序和制备引起的变异性,其光学行为通常复杂。本文通过弯月面引导组装制备了大尺度三维AuNP组装体,并系统研究了其光学性质,重点关注可重复性和空间均匀性。空间分辨暗场散射测量表明,尽管几何和结构存在差异,高纵横比AuNP柱沿其高度和不同柱之间均表现出均匀的散射光谱。电磁模拟表明,这种鲁棒性源于有限等离激元离域长度内多个局部耦合区域主导的系综平均等离激元响应。模拟的近场和表面电荷分布表明,在代表性结构扰动下,宽系综响应保持空间分布,与体积平均一致。基于这一鲁棒平台,我们通过引入较小AuNP构建核-卫星结构实现组分调制。这产生了组分依赖的光谱重分布,包括核-卫星组装体中额外的长波长光谱特征。波长依赖的表面增强拉曼散射测量揭示了633 nm和785 nm激发下的对比响应,反映了局部等离激元耦合路径的重分布。这些结果为具有系综平均和组分可调光学响应的鲁棒三维等离激元纳米颗粒组装体建立了设计原则。

英文摘要

Three-dimensional (3D) assemblies of gold nanoparticles (AuNPs) offer a rich platform for plasmonic coupling and near-field engineering, yet their optical behavior is often complex due to structural disorder and fabrication-induced variability. Here, we present a systematic optical investigation of large-scale 3D AuNP assemblies fabricated via meniscus-guided assembly, focusing on the reproducibility and spatial uniformity. Spatially-resolved dark-field scattering measurements reveal that high-aspect-ratio AuNP pillars exhibit uniform scattering spectra along their height and across different pillars, despite variations in geometry and structure. Electromagnetic simulations suggest that this robustness arises from an ensemble-averaged plasmonic response governed by many local coupling regions within a finite plasmon delocalization length. Simulated near-field and surface charge distributions suggest that the broad ensemble response remains spatially distributed under representative structural perturbations, consistent with volumetric averaging. Building on this robust platform, we introduce compositional modulation through a core-satellite architecture by incorporating smaller AuNPs. This yields a composition-dependent spectral redistribution, including an additional long-wavelength spectral feature in the core-satellite assemblies. Wavelength-dependent surface-enhanced Raman scattering measurements reveal contrasting responses under 633 and 785 nm excitation, reflecting redistribution of local plasmonic coupling pathways. These results establish design principles for robust 3D plasmonic nanoparticle assemblies with ensemble-averaged and composition-tunable optical responses.

2606.03274 2026-06-03 physics.chem-ph

Valence Ionization Of Water Clusters Formed Inside Helium Nanodroplets

氦纳米液滴内形成的水团簇的价电离

Subhendu De, Sivarama Krishnan, Niklas Sheel, Keshav Sishodia, Robert Richter, Marcel Mudrich, Florent Calvo, Ltaief Ben Ltaief

AI总结 利用彭宁电离电子-离子符合谱研究氦纳米液滴内水团簇的电离机制,发现液滴抑制碎片化并稳定完整团簇离子,量子化学计算支持低温下质子转移和半键构象共存。

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AI中文摘要

利用彭宁电离电子-离子符合谱研究了嵌入氦纳米液滴(HNDs)中的小H$_2$O/D$_2$O团簇在能量为$h\nu$ = 21.6 eV的极紫外光子照射下的电离机制。观察到质子化(H$_2$O)$_{n-1}$H$^{+}$/(D$_2$O)$_{n-1}$D$^{+}$($n$ = 3-6)和非质子化(H$_2$O)$_{n}$$^{+}$/(D$_2$O)$_{n}$$^{+}$($n$ = 2-5)团簇离子。分析了从掺杂到大、小HNDs中的水团簇发射的水团簇离子符合测量的彭宁电离电子谱,并与在$h\nu$ =20.6 eV下自由水团簇的光电子-光离子符合谱进行了比较。结果表明,HNDs内部碎片化受到抑制,完整团簇离子得到稳定。量子化学计算支持在氦纳米液滴的低温条件下质子转移和半键构象共存。

英文摘要

The ionization mechanisms of small H$_2$O/D$_2$O clusters embedded in helium nanodroplets (HNDs) irradiated with extreme ultraviolet photons of energy $hν$ = 21.6 eV are investigated using Penning ionization electron-ion coincidence spectroscopy. Both protonated (H$_2$O)$_{n-1}$H$^{+}$/(D$_2$O)$_{n-1}$D$^{+}$ ($n$ = 3-6) and unprotonated (H$_2$O)$_{n}$$^{+}$/(D$_2$O)$_{n}$$^{+}$ ($n$ = 2-5) cluster ions were observed. Penning ionization electron spectra measured in coincidence with water cluster ions emitted from water clusters doped into both large and small HNDs are analyzed and compared with photoelectron-photoion coincidence spectra measured for free water clusters at $hν$ =20.6 eV. The results reveal suppression of fragmentation inside HNDs and stabilization of intact cluster ions. Quantum chemical calculations support the coexistence of proton-transferred and hemibonded conformers under the cryogenic conditions of helium nanodroplets.

2606.03233 2026-06-03 physics.plasm-ph

Nonlinear Equation for Dust Drift Waves

尘埃漂移波的非线性方程

Hamid Saleem

AI总结 针对二维传播且忽略尘埃声波作用的情况,推导了尘埃漂移波的非线性方程,同时考虑非线性尘埃密度项和尘埃涡度项,分别得到二维孤立波和偶极涡旋解。

Comments 4 pages, no figures

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AI中文摘要

假设二维传播并忽略尘埃声波的作用,推导了尘埃漂移波的非线性方程。同时考虑了非线性尘埃密度项和尘埃涡度项。如果忽略涡度项,该方程给出二维孤立波;如果忽略密度非线性效应,则简化为尘埃漂移波的Hasegawa-Mima方程,该方程允许偶极涡旋解。

英文摘要

A nonlinear equation for dust drift waves is derived assuming two-dimensional propagation and ignoring the role of dust acoustic waves. Both the nonlinear dust density term and the dust vorticity term are taken into account. If vorticity term is ignored, the equation gives two dimensional solitary waves and if density nonlinearity effect is discarded, then it reduces to Hasegawa-Mima equation for dust drift waves which admits dipole vortex solutions.

2606.03231 2026-06-03 physics.flu-dyn

A reduced model for surface wave-current interactions without spatial scale separation

无空间尺度分离的表面波-流相互作用简化模型

Yohei Onuki, Yasushi Fujiwara

AI总结 提出一个简化渐近模型,描述弱非线性表面重力波场与缓慢演化的不可压缩流在均匀旋转流体中的相互耦合,基于Craik-Leibovich理论但无需空间尺度分离。

Comments 12 pages; prepared using the JFM LaTeX class

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AI中文摘要

我们提出了一个简化渐近模型,用于描述均匀旋转流体中弱非线性表面重力波场与缓慢演化的不可压缩流之间的相互相互作用。该公式建立在Craik-Leibovich波平均动量方程理论的基础上,但斯托克斯漂移并非外部给定。相反,它由伴随的振幅方程确定,该方程适用于集中在与指定载波频率相关的波数圆附近的窄带波场。推导结合了波陡度的多时间尺度展开与现象学闭合,忽略了四次波-波相互作用,同时保留了三次斯托克斯修正。重要的是,波-流相互作用没有施加空间尺度分离,使得波动方程能够表示流引起的平流、折射和多向散射。所得方程守恒波作用量,并允许耦合波-流系统具有封闭的能量和动量收支。因此,该模型为经典Craik-Leibovich框架提供了一种可处理的双向扩展,适用于流引起的波演化显著反馈到平均流的场景。

英文摘要

We propose a reduced asymptotic model for the mutual interaction between a weakly nonlinear surface gravity wave field and a slowly evolving incompressible current in a homogeneous rotating fluid. The formulation builds on the Craik-Leibovich theory for the wave-averaged momentum equation, but the Stokes drift is not prescribed externally. Instead, it is determined by a companion amplitude equation for a narrow-band wave field concentrated near the wavenumber circle associated with a prescribed carrier frequency. The derivation combines a multiple-time-scale expansion in wave steepness with a phenomenological closure that neglects quartic wave-wave interactions while retaining the third-order Stokes correction. Importantly, no spatial-scale separation is imposed on the wave-current interaction, allowing the wave equation to represent current-induced advection, refraction, and multidirectional scattering. The resulting equations conserve wave action and admit closed energy and momentum budgets for the coupled wave-current system. The model thus provides a tractable bidirectional extension of the classical Craik-Leibovich framework for regimes in which current-induced wave evolution feeds back significantly on the mean flow.

2606.03208 2026-06-03 physics.optics

Highly sensitive detection for infrared photons by non-degenerate two-photon absorption under mid-infrared pumping

中红外泵浦下非简并双光子吸收对红外光子的高灵敏探测

Jianan Fang, Yinqi Wang, Ming Yan, E Wu, Kun Huang, Heping Zeng

AI总结 通过中红外泵浦增强硅雪崩光电二极管中的非简并双光子吸收,实现了红外光子计数灵敏度提升约10^5倍,噪声等效功率改善两个数量级。

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Journal ref
Physical Review Applied 14, 064035 (2020)
AI中文摘要

我们展示了基于硅雪崩光电二极管中双光子吸收(2PA)的红外高灵敏光子计数,其中诱导有效电导所需的光子能量由3 μm强中红外(MIR)场提供。所使用的MIR泵浦方案不仅受益于非简并状态下增强的2PA系数,而且消除了由于泵浦谐波激发引起的有害背景噪声。因此,信号计数率的增强因子前所未有地达到约10^5,输入红外脉冲能量在飞焦量级。此外,与近红外泵浦的传统方案相比,噪声等效功率显著提高了两个数量级。因此,所提出的配置可能提供一种替代方案,以实现灵敏的红外探测和成像,具有室温操作、无相位匹配要求和宽带响应窗口等理想特性,这将找到多种应用,包括远程测距、灵敏传感、生物化学成像和痕量光谱学。

英文摘要

We have demonstrated highly-sensitive photon counting in the infrared based on the two-photon absorption (2PA) in a silicon avalanche photodiode, where the required photon energy for inducing effective conductivity was provided by an intense mid-infrared (MIR) field at 3 $μ$m. The used MIR pumping scheme could not only benefit from the enhanced 2PA coefficient in the non-degenerate regime, but also eliminate the detrimental background noises due to the pump harmonic excitation of the pump. Consequently, the enhancement factor for the signal counting rate unprecedented reached to about $10^{5}$ with input infrared pulses at the femtojoule level. Additionally, the noise equivalent power was substantially improved by two orders of magnitude comparing to conventional schemes with near-infrared pumping. Therefore, the presented configuration might provide an alternative to realize sensitive infrared detection and imaging with desirable features of room-temperature operation, no phase-matching requirement, and broadband responding window, which would find a variety of applications including remote ranging, sensitive sensing, biochemical imaging, and trace spectroscopy.

2606.03207 2026-06-03 physics.optics

Passive repetition-rate stabilization for a mode-locked fiber laser by electro-optic modulation

通过电光调制实现锁模光纤激光器的被动重复率稳定

Tingting Yu, Shuhong Jiang, Jianan Fang, Tingting Liu, Xiuqi Wu, Ming Yan, Kun Huang, Heping Zeng

AI总结 提出利用电光调制器在相位偏置非线性放大环镜中实现锁模光纤激光器重复率的被动稳定,通过电光晶体内的交叉相位调制自动补偿腔长漂移,实现低至9 μHz的标准差和4.3×10^{-13}的分数不稳定度。

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Journal ref
Optics Letters 47, 1178 (2022)
AI中文摘要

我们报道了通过使用相位偏置非线性放大环镜中的电光调制器,实现锁模光纤激光器重复率的被动稳定。与主动反馈操作不同,其潜在机制在于电光晶体内电脉冲和光脉冲之间的交叉相位调制。产生的光谱偏移可以通过群速度色散自动补偿腔长漂移。因此,该人工致动器能够获得高达2.3 mm的捕获范围,远长于通过调制器折射率变化所实现的范围。然后实现了重复率的鲁棒且紧密锁定,在11小时内以1秒采样时间的标准偏差低至9 μHz,对应的分数不稳定度为4.3×10^{-13}。此外,通过重复率调谐实现了动态光学采样,刷新速率高达100 kHz,扫描范围超过305 ps。所展示的被动伺服作用可能提供一种简单而有效的方法,以高精度、大带宽和宽可调性稳定重复率。

英文摘要

We report a passive stabilization of the repetition rate for a mode-locked fiber laser by using an electro-optic modulator in a phase-biased nonlinear amplifying loop mirror. The underlying mechanism, in contrast to active feedback operations, lies in the cross-phase modulation between electrical and optical pulses within an electro-optic crystal. The resulting spectral shift can automatically compensate the cavity-length drift via the group velocity dispersion. Consequently, the artificial actuator enables to obtain a capture range up to 2.3 mm, much longer than that achieved by index changes of the modulator. A robust and tight locking for the repetition rate is then realized with a standard deviation as low as 9 $μ$Hz with a 1-s sample time over 11 hours, corresponding to a fractional instability of 4.3$\times$10$^{-13}$. Furthermore, a dynamic optical sampling by repetition-rate tuning has been manifested with a fast refresh rate at 100 kHz and a broad scanning range over 305 ps. The demonstrated passive servo action may provide a simple yet effective way to stabilize the repetition rate with high precision, large bandwidth and wide tunability.

2606.03206 2026-06-03 physics.optics

Wide-field mid-infrared single-photon upconversion imaging

宽场中红外单光子上转换成像

Kun Huang, Jianan Fang, Ming Yan, E Wu, Heping Zeng

AI总结 通过非周期准相位匹配结构,实现了接受角约30°的宽场上转换成像,支持高达216 kHz的高速快照和室温单光子成像,并实现了皮秒光学门控的高分辨率飞行时间3D成像。

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Journal ref
Nature Communications 13, 1077 (2022)
AI中文摘要

频率上转换技术将红外信号非线性地转换为可见光波段以利用硅传感器,为中红外(MIR)成像提供了一种有前景的替代方案。然而,固有的视场(FOV)通常受相位匹配条件限制,从而对促进后续应用提出了挑战。在这里,我们展示了一种基于非周期准相位匹配配置的宽场上转换成像。接受角显著扩展到约30°,比周期性极化晶体大十倍以上。扩展的FOV在一次拍摄中实现,无需参数扫描或后处理。因此,快速快照能够实现高达216 kHz帧率的高速成像。或者,由于通过光谱-时间滤波大幅抑制了背景噪声,允许在室温下进行单光子成像。此外,我们基于皮秒光学门控实现了高分辨率飞行时间3D成像。这些呈现的MIR成像特性具有宽场、快速和高灵敏度,可能激发即时应用,如无损缺陷检测、体内生物医学检查以及高速体积断层扫描。

英文摘要

Frequency upconversion technique, where the infrared signal is nonlinearly translated into the visible band to leverage the silicon sensors, offers a promising alternation for the mid-infrared (MIR) imaging. However, the intrinsic field of view (FOV) is typically limited by the phase-matching condition, thus imposing a remaining challenge to promote subsequent applications. Here, we demonstrate a wide-field upconversion imaging based on the aperiodic quasi-phase-matching configuration. The acceptance angle is significantly expanded to about 30$^\circ$, over tenfold larger than that with the periodical poling crystal. The extended FOV is realized in one shot without the need of parameter scanning or post-processing. Consequently, a fast snapshot allows to facilitate high-speed imaging at a frame rate up to 216 kHz. Alternatively, single-photon imaging at room temperature is permitted due to the substantially suppressed background noise by the spectro-temporal filtering. Furthermore, we have implemented high-resolution time-of-flight 3D imaging based on the picosecond optical gating. These presented MIR imaging features with wide field, fast speed, and high sensitivity might stimulate immediate applications, such as non-destructive defect inspection, in-vivo biomedical examination, and high-speed volumetric tomography.

2606.03202 2026-06-03 physics.optics

Soliton crystal formation in Kerr cavities with an avoided mode crossing: a theoretical study

Kerr腔中避免模式交叉的孤子晶体形成:理论研究

Carlo Silvestri, Caitlin E. Murray, Chawaphon Prayoonyong, Stephane Coen, Bill Corcoran, C. Martijn de Sterke, Antoine F. J. Runge

AI总结 本文通过修正的Lugiato-Lefever方程和稳定性分析,理论研究了Kerr微谐振器中避免模式交叉对孤子晶体形成的影响,揭示了AMX可稳定或诱导孤子晶体,并确定了完美晶体的形成条件。

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AI中文摘要

我们理论并数值研究了在存在避免模式交叉(AMX)的情况下,Kerr微谐振器中孤子晶体的形成。我们的研究结合了基于修正的Lugiato-Lefever方程(LLE)的动力学模拟及其稳态解的稳定性分析。我们表明,根据其强度和光谱位置,AMX可以稳定原本不稳定的孤子晶体,或诱导随后成为孤子晶体种子的Turing图案。在时空混沌的泵浦阈值以下,可以形成完美和不完美的孤子晶体,我们确定了完美晶体所需的条件。最后,我们研究了存在AMX时的调制不稳定性,表明它改变了参量增益,并可根据其光谱位置抑制或促进Turing图案的形成。

英文摘要

We theoretically and numerically investigate the formation of soliton crystals in Kerr microresonators in the presence of an avoided mode crossing (AMX). Our study combines dynamical simulations based on a modified Lugiato-Lefever equation (LLE) with a stability analysis of its stationary solutions. We show that, depending on its strength and spectral position, the AMX can either stabilize otherwise unstable soliton crystals or induce Turing patterns which subsequently seeds soliton crystal formation. Both perfect and imperfect soliton crystals can form below the pump threshold for spatiotemporal chaos, and we identify the conditions required for perfect crystals. Finally, we investigate modulation instability in the presence of an AMX, showing that it modifies the parametric gain and can suppress or promote Turing pattern formation depending on its spectral position.

2606.03172 2026-06-03 physics.chem-ph

Spin-Dependent Electron Transport through Bacterial Cell Surface Multiheme Electron Conduits

通过细菌细胞表面多血红素电子导管的自旋依赖电子传输

Suryakant Mishra, Sahand Pirbadian, Amit Kumar Mondal, Mohamed Y. El-Naggar, Ron Naaman

AI总结 通过磁导探针原子力显微镜、霍尔电压测量和自旋依赖电化学,发现金属还原菌Shewanella oneidensis MR-1的十血红素细胞色素MtrF和OmcA中的电子传输具有自旋选择性,揭示了自旋依赖相互作用和磁场可能控制生物-非生物界面电子传输的机制。

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Journal ref
J. Am. Chem. Soc. 141,2019, 19198-19202
AI中文摘要

位于细菌细胞表面的多血红素细胞色素,作为长距离(>10 nm)电子导管,将细胞内反应与外部表面连接起来。这种细胞外电子转移过程使微生物能够通过呼吸固体氧化还原活性矿物质来获取能量,同时也促进了细胞与电极的连接。尽管最近的研究表明,手性诱导的自旋选择性效应与通过生物分子的高效电子传输有关,但这一现象尚未在细胞外电子导管中进行研究。使用磁导探针原子力显微镜、霍尔电压测量以及来自金属还原菌Shewanella oneidensis MR-1的十血红素细胞色素MtrF和OmcA的自旋依赖电化学,我们证明了通过这些细胞外导管的电子传输是自旋选择性的。我们的研究对于理解自旋依赖相互作用和磁场如何在自然和生物技术系统中控制生物-非生物界面的电子传输具有重要意义。

英文摘要

Multiheme cytochromes, located on the bacterial cell surface, function as long-distance (> 10 nm) electron conduits linking intracellular reactions to external surfaces. This extracellular electron transfer process, which allows microorganisms to gain energy by respiring solid redox-active minerals, also facilitates the wiring of cells to electrodes. While recent studies suggested that a chiral induced spin selectivity effect is linked to efficient electron transmission through biomolecules, this phenomenon has not been investigated in the extracellular electron conduits. Using magnetic conductive probe atomic force microscopy, Hall voltage measurements, and spin-dependent electrochemistry of the decaheme cytochromes MtrF and OmcA from the metal-reducing bacterium Shewanella oneidensis MR-1, we show that electron transport through these extracellular conduits is spin-selective. Our study has implications for understanding how spin-dependent interactions and magnetic fields may control electron transport across biotic-abiotic interfaces in both natural and biotechnological systems. Electron

2606.03170 2026-06-03 physics.plasm-ph

Likelihood topology and applicability limits of spatial anti-aliasing inversion for folded electron drift instability dispersion in Hall thrusters

霍尔推力器中折叠电子漂移不稳定性色散的空间反混叠反演的似然拓扑与适用性极限

Zilong Peng, Baisheng Wang, Zhongping Zhao, Daren Yu, Yinjian Zhao

AI总结 本文通过数值求解线性动理学EDI色散关系,评估了基于双探针合成信号的最大似然空间反混叠反演方法,在典型霍尔推力器放电参数下,该方法突破了约1 krad/m的常规奈奎斯特波数极限,将可访问范围扩展至约22 krad/m,并恢复了第一至第五阶EDI分支的似然脊,同时参数扫描表明统计实现次数L主要抑制伪混叠峰,频率分辨率Δf主要决定折叠极值附近的局部分支分离。

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AI中文摘要

电子漂移不稳定性(EDI)被广泛认为是霍尔推力器中反常电子输运的主要机制,但其毫米和亚毫米波长使得常规波探针分析受到空间混叠的强烈限制。多几何空间反混叠算法为波探针诊断突破空间奈奎斯特极限提供了一条途径,但其对非单调、折叠、多共振EDI色散的有效性尚未量化。本文以典型霍尔推力器放电参数下数值求解的线性动理学EDI色散关系为基准,评估了基于25种模拟角度间隔配置生成的双探针合成信号的二维最大似然空间反混叠反演。对于采样频率fs = 100 MHz和信噪比SNR = 10,该方法突破了约1 krad/m的常规奈奎斯特波数极限,将可访问范围扩展至约22 krad/m,并恢复了与第一至第五阶EDI分支相关的优势似然脊。参数扫描进一步表明,统计实现次数L主要决定伪混叠峰的抑制,而频率分辨率Δf主要决定折叠极值附近的局部分支分离。这些结果为当前合成条件下EDI色散的多几何波探针诊断提供了基准采样和分割约束,并可指导未来实验。

英文摘要

The electron drift instability (EDI) is widely recognized as the leading mechanism for anomalous electron transport in Hall thrusters, but its millimeter and sub-millimeter wavelength makes conventional wave-probe analysis strongly limited by spatial aliasing. A multi-geometry spatial anti-aliasing algorithm provides a route for wave-probe diagnostics to break the spatial Nyquist limit, but its effectiveness for nonmonotonic, folded, multi-resonance EDI dispersion has not been quantified. Using the numerically solved linear kinetic EDI dispersion relation under typical Hall-thruster discharge parameters as a benchmark, this work evaluates two-dimensional maximum-likelihood spatial anti-aliasing inversion based on two-probe synthetic signals generated for 25 simulated angle-spacing configurations. For a sampling frequency fs = 100 MHz and signal-to-noise ratio SNR = 10, the method breaks the conventional Nyquist wavenumber limit of about 1 krad/m, extends the accessible range to about 22 krad/m, and recovers the dominant likelihood ridges associated with the first- to fifth-order EDI branches. Parameter scans further show that the statistical realization count L mainly determines the suppression of spurious alias peaks, whereas the frequency resolution delta f mainly determines local branch separation near folded extrema. These results provide benchmark sampling and segmentation constraints for multi-geometry wave-probe diagnosis of EDI dispersion under the present synthetic conditions and can guide future experiments.

2606.03140 2026-06-03 physics.chem-ph

SEDACS: A Scalable Framework for Complex Chemistry Simulations

SEDACS:复杂化学模拟的可扩展框架

Cheng-Han Li, Joshua Finkelstein, Maksim Kulichenko, Rae A. Corrigan Grove, Sergei Tretiak, Michael E. Wall, Anders M. N. Niklasson, Christian F. A. Negre

AI总结 提出SEDACS框架,通过基于图的线性标度电子结构理论和阴影分子动力学,实现大规模并行量子力学分子动力学模拟,并展示与自洽电荷密度泛函紧束缚理论代码的高效集成。

Comments 18 pages, 11 figures

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AI中文摘要

基于图的线性标度电子结构理论通过利用非金属系统中非局域电子连接性的近视性,为并行量子力学分子动力学(QMD)模拟提供了可扩展框架。当与扩展拉格朗日公式中的最新阴影分子动力学结合时,它能够对大型化学活性系统进行稳定的长时间模拟。本文介绍了用于复杂化学模拟的可扩展生态系统、驱动器和分析器(SEDACS),它将所有这些进展集成在一个模块化的、基于Python的软件包中,用于由外部电子结构代码驱动的大规模QMD模拟。SEDACS提供可调的自适应图构建,其中边编码原子之间的非局域电子重叠。然后,该图被分解为一组较小的重叠子图,每个子图的电子结构使用外部电子结构代码独立并行求解。SEDACS可以以最少的软件修改与各种外部电子结构求解器耦合,从而快速采用基于图的QMD方法。通过这种方式,SEDACS可以通过对以前计算上无法访问的系统进行稳定的QMD模拟,极大地扩展现有电子结构包的能力。我们通过将SEDACS与基于自洽电荷密度泛函紧束缚理论的外部Fortran电子结构代码接口,展示了具有数万个原子的化学活性系统的高效稳定QMD模拟。

英文摘要

Graph-based linear-scaling electronic-structure theory provides a scalable framework for parallel quantum-mechanical molecular dynamics (QMD) simulations by exploiting the nearsightedness of the non-local electronic connectivity in non-metallic systems. When combined with recent shadow molecular dynamics in an extended-Lagrangian formulation, it enables stable long-time simulations of large, chemically active systems. This article introduces the Scalable Ecosystem, Driver, and Analyzer for Complex Chemistry Simulations (SEDACS), which integrates all these advances within a modular, Python-based software package for large-scale QMD simulations driven by external electronic-structure codes. SEDACS provides a tunable, adaptive graph construction in which edges encode the non-local electronic overlap between atoms. This graph is then decomposed into a set of smaller, overlapping subgraphs, where the electronic structure of each of these subgraphs is solved for independently and in parallel using an external electronic-structure code. SEDACS can be coupled to a variety of external electronic-structure solvers with minimal modifications to their software, enabling rapid adoption of the graph-based QMD approach. In this way, SEDACS can greatly extend the capability of existing electronic-structure packages by enabling stable QMD simulations of systems that were previously computationally inaccessible. We demonstrate highly efficient and stable QMD simulations for chemically active systems with tens of thousands of atoms by interfacing SEDACS with an external Fortran-based electronic-structure code based on self-consistent-charge density functional tight-binding theory.

2606.03139 2026-06-03 physics.flu-dyn cond-mat.stat-mech

Turbulence: An Entropic Approach

湍流:一种熵方法

Christian Beck, Constantino Tsallis

AI总结 通过最大化广义熵泛函 $S_{q,\delta}$ 并施加标准动能约束,得到了与高湍流 Taylor-Couette 流中速度差概率密度完美匹配的广义正则分布,揭示了湍流级联终点与黑洞物理的类比。

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AI中文摘要

我们表明,在标准动能约束下最大化广义熵泛函 $S_{q,\delta}$ 得到的广义正则分布与高湍流 Taylor-Couette 流中距离 $r$ 处速度差的测量概率密度完美一致。湍流级联的终点由 $\delta = rac{3}{2}$ 描述,该参数值在黑洞物理中也扮演重要角色。此时达到 Kolmogorov 长度尺度 $r=\eta$,湍流中所有可观测的涡旋结构消失,与黑洞事件视界处观察到的现象类似。我们的方法将统计力学推广到更一般的非可加熵泛函 $S_{q,\delta}$,使其适用于湍流。该方法渐近生成拉伸 $q$ 指数作为湍流相关的广义正则分布,其中拉伸指数 $\delta^{-1}$ 对 $q$ 的特定依赖关系源于非广延统计力学中著名的伴随形式。沿着参数空间中的这条特定线,物理过程可由 $S_q$ 自身在适当的伴随约束下描述,从而预测 $\delta^{-1} (r) =2-q(r)$,由于 $S_q$ 既是迹形式又是可组合的,因此允许一致的热力学描述。我们表明,上述理论推导的关系与 Taylor-Couette 流的高精度实验测量数据吻合良好。在 Kolmogorov 长度尺度 $r=\eta$(我们场景的终点)处,有 $\delta = rac{3}{2}$,此时速度差的第三矩不再存在,所有涡旋消失。我们指出了与黑洞物理的热力学熵方法的多种类比。

英文摘要

We show that maximizing the generalized entropic functional $S_{q,δ}$ subject to standard kinetic energy constraints provides generalized canonical distributions that agree perfectly with measured probability densities of velocity differences at distance $r$ in highly-turbulent Taylor-Couette flow. The end point of the turbulent cascade is described by $δ=\frac{3}{2}$, a parameter value that also plays an important role in black-hole physics. At this point the Kolmogorov length scale $r=η$ is reached and all observable eddy structures of the turbulent flow disappear, in certain analogy to what is observed for black holes at the event horizon. Our approach generalizes statistical mechanics to more general nonadditive entropic functionals $S_{q,δ}$ such that it is applicable to turbulent flows. This approach asymptotically generates stretched $q$-exponentials as generalized canonical distributions relevant for turbulent flow, with a particular dependence of the stretching exponent $δ^{-1}$ on $q$ that follows from the well-known escort formalism in nonextensive statistical mechanics. Along this particular line in the parameter space, the physics can be described by $S_q$ on its own with suitable escort constraints, leading to the prediction $δ^{-1} (r) =2-q(r)$, thus allowing for a consistent thermodynamic description since $S_q$ is both trace-form and composable. We show that the above theoretically derived relation is well satisfied by measured high-precision experimental data for Taylor-Couette flow. At the Kolmogorov length scale $r=η$, the endpoint of our scenario, one has $δ=\frac{3}{2}$ and at this point the third moment of velocity differences ceases to exist and all eddies disappear. We point out various analogies with thermodynamic entropic approaches to black hole physics.

2606.03105 2026-06-03 physics.app-ph

On the multi-frequency electromagnetic emission from a rotating charged dielectric disk made of isotropic media

各向同性介质旋转带电介质圆盘的多频电磁辐射

Yurui Shang, Yige Ma, Mingda Wang, Longyi Li, Gaosi Han, Zhong Lin Wang

AI总结 实验发现旋转带电介质圆盘的近场电磁辐射呈现离散多谐波,频率为 nf_R (n=1~6),奇偶谐波相位差不同,与闵可夫斯基理论不符,但可用机械驱动介质系统的麦克斯韦方程组解释。

Comments 8 pages, 5 figures

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AI中文摘要

均匀运动介质的电磁行为传统上由闵可夫斯基理论描述,基于该理论,旋转各向同性介质的电磁辐射应是线性的,即电磁辐射的频率应与激励源相同。然而,我们实验观察到旋转带电介质圆盘的近场电磁辐射呈现离散多谐波,频率为 nf_R,其中 n=1 到 6,f_R 是圆盘的旋转频率。通过反转圆盘的旋转方向,观测到的磁场相位差对于奇次谐波为 π,而对于偶次谐波为零。实验结果可能与闵可夫斯基理论不一致,但数据可以用机械驱动介质系统的麦克斯韦方程组很好地解释。这项研究不仅为机械驱动介质系统的麦克斯韦方程组提供了坚实的证据,而且建立了描述加速介质运动近场电磁辐射的理论,具有许多工程应用。

英文摘要

The electromagnetic behavior of a uniformly moving medium has been traditionally described by the Minkowski's theory, based on which the electromagnetic (EM) emission from a rotating isotropic medium should be linear, which means that the frequency of the EM emission should be the same as that of the excitation source. However, we experimentally observed that the near-field EM emission from a rotating charged dielectric disk shows discrete multi-harmonics at frequencies of nf_R, with n= 1 to 6, where f_R is the rotation frequency of the disk. By reversing the rotating direction of the disk, the phase shift for the observed magnetic field is π for odd harmonics, but it is zero for the even harmonics. The experimental results may not be consistent with the Minkowski's theory, but the data can be well explained using the Maxwell's equations for a mechano-driven media system (MEs-f-MDMS). This study not only provides a solid proof to MEs-f-MDMS, but also establishes the theory for describing the near-field EM emission from accelerated medium motion, which has many engineering applications.

2606.03059 2026-06-03 physics.flu-dyn

Dynamics of vapor bubble train in flow boiling heat transfer in microchannels

微通道流动沸腾传热中气泡列的动力学

Odumuyiwa A. Odumosu, Tianyou Wang, Zhizhao Che

AI总结 通过数值模拟研究微通道中气泡列的形成与演化,揭示了初始气液体积比、热通量和潜热对气泡频率、生长速率及壁面温度波动的影响。

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Journal ref
International Communications in Heat and Mass Transfer, 164 (2025) 108859
AI中文摘要

微通道流动沸腾是一种有前景的微器件热管理技术,理解微通道流动沸腾中的气泡动力学对其应用至关重要。以往的研究只关注单个孤立气泡,但在微通道流动沸腾应用中,气泡通常以气泡列的形式存在,气泡之间相互影响。本文采用流动聚焦技术在微通道上游形成单分散气泡,数值研究了微通道流动沸腾中的蒸汽气泡列。随着初始气液体积比的增加,气泡频率增加,而气泡生长速率由于气泡尺寸减小而降低。随着壁面热通量的增加或工质潜热的降低,气泡列生长速率因汽化速率增加而增大。上游流体的汽化导致气泡膨胀并加速下游气泡运动。由于气泡的周期性通过,壁面温度和努塞尔数发生波动。

英文摘要

Microchannel flow boiling is a promising technique for micro-device thermal management, and understanding the bubble dynamics in microchannel flow boiling is important for the applications. Previous studies only focused on single, isolated bubbles, but the bubbles in microchannel flow boiling applications often exist as bubble trains, in which the bubbles interact with each other. Here, we investigate numerically vapor bubble trains in microchannel flow boiling by adopting the flow-focusing technique to form monodispersed bubbles in the upstream of the microchannel. With increasing the initial vapor-liquid volume ratio, the bubble frequency increases while the growth rate of the bubbles decreases because of the reduced bubble size. With increasing the heat flux on the wall or reducing the latent heat of the working fluid, the bubble train growth rate increases because of the increased vaporization rate. The vaporization of the fluid in the upstream causes the bubble expansion and accelerates the bubble movement in the downstream. The wall temperature and the Nusselt number fluctuate because of the periodic pass-through of bubbles.

2606.03025 2026-06-03 physics.geo-ph

RIFTES: An RTM- and iteration-free temperature-emissivity separation framework for accurate and efficient clear-sky land surface temperature retrieval

RIFTES:一种无RTM和迭代的温度-发射率分离框架,用于准确高效地反演晴空地表温度

Huanyu Zhang, Bo-Hui Tang, Yun Jiang, Menglin Si, Frank M. Göttsche, Tian Hu, Yuanliang Cheng, Zhao-Liang Li

AI总结 提出一种无辐射传输模型和迭代的温度-发射率分离框架(RIFTES),通过非迭代闭合解和深度残差网络实现高效准确的地表温度反演,在ECOSTRESS和ABI数据上RMSE分别达1.51 K和1.97 K,计算时间减少74%以上。

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AI中文摘要

本研究提出了一种无辐射传输模型(RTM)和迭代的温度-发射率分离(TES)框架(RIFTES),旨在提高晴空地表温度(LST)反演中TES算法的计算效率和反演精度。基于物理推导,首先通过将原始迭代过程重新表述为数学上等价的闭式解,开发了一种非迭代的TES算法,从而消除了繁琐的迭代需求。为了进一步降低误差传播风险和计算负担,采用了一种集成大气辐射传输物理的深度残差神经网络,利用易于获取的参数进行大气校正,并引入掩蔽机制以灵活地纳入可用的大气约束。全面的验证表明了所提算法的有效性。模拟结果显示,RIFTES对输入不确定性保持稳健,并且在现有代表性算法(包括分裂窗(SW)、TES和SW-TES混合方法)中实现了最低的均方根误差(RMSE)1.06 K。然后,利用全球分布站点的原位测量评估了RIFTES在应用于国际空间站生态系统星载热辐射计实验(ECOSTRESS)和先进基线成像仪(ABI)时的实际性能。新算法在ECOSTRESS和ABI上分别实现了1.51 K和1.97 K的RMSE,与现有方法相比,反演不确定性分别降低了24%和32%。此外,通过简化迭代过程和大气校正,RIFTES的总计算时间相比TES和混合算法分别减少了74.0%和62.5%。

英文摘要

This study proposes an RTM- and iteration-free TES (RIFTES) framework to improve both computational efficiency and retrieval accuracy of the temperature-emissivity separation (TES) algorithm for clear-sky land surface temperature (LST) retrieval. Based on physical derivations, a non-iterative TES algorithm was first developed by reformulating the original iterative procedure into a mathematically equivalent closed-form solution, thereby eliminating the need for cumbersome iterations. To further reduce error propagation risks and computational burdens, a deep residual neural network that integrates atmospheric radiative transfer physics was adopted to conduct atmospheric correction using easily accessible parameters, with a masking mechanism introduced to flexibly incorporate atmospheric constraints when available. Comprehensive validations demonstrate the effectiveness of the proposed algorithm. Simulation results show that RIFTES remains robust to input uncertainties and achieves the lowest root mean squared error (RMSE) of 1.06 K among representative existing algorithms, including split-window (SW), TES, and SW-TES hybrid methods. In-situ measurements from globally distributed sites were then used to evaluate the practical performance of RIFTES when applied to both the ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) and the Advanced Baseline Imager (ABI). The new algorithm achieves RMSE values of 1.51 K and 1.97 K for ECOSTRESS and ABI, respectively, reducing retrieval uncertainties by up to 24% and 32% compared with existing methods. Furthermore, by simplifying both the iterative procedure and atmospheric correction, RIFTES reduces the overall computational time by 74.0% and 62.5% compared with the TES and hybrid algorithms, respectively.

2606.03015 2026-06-03 physics.flu-dyn

Hydrodynamically engineered Indigenous arrows skip on water for waterfowl hunting

流体动力学设计的原住民箭头在水面跳跃用于水禽狩猎

Junrong Zhang, Farrukh Kamoliddinov, Thomas Yang, Jeff Tang, Tino Liang, Ethan Tam, Edam Jin, Tadd Truscott, Zhao Pan

AI总结 通过实验、建模和历史重建,发现原住民箭头的水面跳跃行为由一组几何和动力学参数控制,并证明不同文化的箭矢设计均符合该流体动力学约束。

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AI中文摘要

在整个北半球,原住民猎人开发了能够在水面跳跃以击打水禽的箭矢。考古和民族志记录揭示了跨越数千年和地理上遥远文化的惊人相似投射物设计,表明这是一种趋同的技术解决方案。尽管对入水动力学进行了广泛研究,但这一行为背后的物理原理仍知之甚少。在这里,我们表明成功的水面跳跃源于一组耦合的几何和动力学参数,这些参数定义了一个有界的操作区域,将反弹、俯冲和过冲区分开。通过结合控制实验、流体动力学建模和历史重建,我们证明来自独立文化的重建箭矢设计始终落在这个预测区域内。这些结果表明,原住民技术被有效调整以满足控制跳跃的流体动力学约束,提供了人类工程系统中趋同优化的证据。更广泛地说,我们的结果表明物质文化编码了形式科学刚刚开始阐述的物理知识,而考古记录和原住民文化可能是一个未被充分探索的经验发现档案。

英文摘要

Across the Northern Hemisphere, Indigenous hunters developed arrows capable of skipping across the water surface to strike waterfowl. Archaeological and ethnographic records reveal remarkably similar projectile designs spanning millennia and geographically distant cultures, suggesting a convergent technological solution. Despite extensive study of water-entry dynamics, the physical principles underlying this behaviour remain poorly understood. Here we show that successful water-skipping arises from a small set of coupled geometric and dynamical parameters that define a bounded operational regime separating rebound, plunging, and overshoot. Using a combination of controlled experiments, hydrodynamic modeling, and historical reconstruction, we demonstrate that reconstructed arrow designs from independent cultures consistently fall within this predicted regime. These results demonstrate that Indigenous technologies were effectively tuned to satisfy the hydrodynamic constraints governing controlled skipping, providing evidence of convergent optimization in human-engineered systems. More broadly, our results suggest that material culture encodes physical knowledge that formal science is only beginning to articulate, and that the archaeological record and Indigenous culture may be an underexplored archive of empirical discovery.

2606.03000 2026-06-03 physics.optics

Zero-Poisson Ratio Elastomeric Substrates for Distortion-Free Stretchable Displays

零泊松比弹性基底用于无失真可拉伸显示器

Joseph Nguyen, Kim Tran, Tristan Tjussardi, Tiger Liang, Eric Yi, Asad Nauman, Abdoulaye Ndao

AI总结 通过将硬PDMS线图案嵌入软PDMS基质中,实现了近零泊松比,抑制了横向收缩,从而制备出机械柔软、光学透明且无失真的可拉伸显示器基底。

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AI中文摘要

可拉伸显示器对于新兴的可穿戴电子设备、软传感器和下一代AR/VR接口至关重要。尽管最近的进展已经实现了可折叠、可扭曲和可卷曲的显示器,但固有的可拉伸基底由于高泊松比,在拉伸应变下常常表现出显著的横向收缩,导致意外的卷曲、失真和收缩。在这里,我们报告了一种透明的异质模量弹性基底,旨在实现近零泊松比,同时保持机械柔软性和光学透明性。该基底由嵌入软PDMS基质中的线图案化硬PDMS组成,在拉伸过程中产生空间异质应变分布。在这种结构中,软PDMS作为应变吸收介质,而嵌入的硬PDMS图案抑制了垂直于施加应变的横向变形。因此,该结构显著抑制了横向收缩,实现了近零有效泊松比。为了展示该平台在可拉伸光电子学中的实用性,将LED阵列集成到异质基底上。这些器件在拉伸变形过程中表现出最小的垂直和横向失真,从而实现可拉伸发光显示器的机械稳定运行。这种异质模量策略为机械鲁棒的可拉伸显示平台提供了一种简单、可扩展的方法。

英文摘要

Stretchable displays are critical for emerging wearable electronics, soft sensors, and next-generation AR/VR interfaces. Although recent advances have enabled foldable, twistable, and rollable displays, intrinsically stretchable substrates often exhibit significant lateral contraction under tensile strain due to their high Poisson ratio, leading to unintended wrapping, distortion, and shrinkage. Here, we report a transparent heterogeneous-modulus elastomeric substrate designed to achieve near-zero Poisson ratio while maintaining mechanical softness and optical transparency. The substrate consists of line-patterned hard polydimethylsiloxane (PDMS) embedded within a soft PDMS matrix, producing spatially heterogeneous strain distribution during stretching. In this architecture, the soft PDMS functions as a strain-absorbing medium, while the embedded hard PDMS patterns suppress lateral deformation perpendicular to the applied strain. As a result, the structure significantly dampens transverse contraction and realizes a near-zero effective Poisson ratio. To demonstrate the utility of this platform for stretchable optoelectronics, LED arrays were integrated onto the heterogeneous substrate. The devices exhibit minimal vertical and lateral distortion during tensile deformation, enabling mechanically stable operation of stretchable light-emitting displays. This heterogeneous modulus strategy provides a simple, scalable approach to mechanically robust stretchable display platforms.

2606.02997 2026-06-03 physics.comp-ph

TransportBench: A Comprehensive Benchmark for Non-Equilibrium Flow Transport

TransportBench:非平衡流动传输的综合基准

Xu Wang, Minghao Li, Qizhen Hong, Yang Liu, Chen-an Zhang, Shuai Zhang, Wenhao Li, Yonghao Zhang, Tianbai Xiao

AI总结 针对现有数据集对非平衡传输现象支持有限的问题,提出TransportBench高保真数据集与标准化基准,系统评估神经网络模型在连续/稀薄、低速/高超声速、惰性/化学反应气体等广泛物理场景下的表现。

Comments 40 pages, 12 figures, 8 tables

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AI中文摘要

科学机器学习模型作为数值模拟和分析的多功能工具,正在日益改变流体力学研究的格局。然而,现有数据集和基准主要局限于连续流体,对非平衡传输现象的支持有限。为填补这一空白,我们提出了TransportBench,一个用于非平衡流动传输的高保真数据集和标准化基准,旨在揭示神经网络模型在不同流动状态下的优势和局限性。具体而言,该数据集涵盖了广泛的物理谱系,包括连续和稀薄状态、低速和高超声速流动、惰性和化学反应气体,以及平动和内能非平衡效应。基于该数据集,我们使用统一的评估协议系统地对代表性神经架构进行基准测试,以探究学习非平衡流动的关键挑战,包括对激波主导的不连续性和多尺度效应的鲁棒性,以及跨几何和物理参数的泛化能力。数值结果表明,模型性能对特定流动特征表现出显著的依赖性。没有单一架构在所有任务中始终表现最佳。相反,不同的架构归纳偏置在捕捉光滑流场、激波诱导的不连续性和高阶非平衡统计量方面提供了不同的优势。通过联合提供非平衡流动数据集和模型基准,TransportBench为超越纳维-斯托克斯流体动力学的流体传输科学机器学习方法的开发、评估和诊断提供了一个新的测试平台。基准数据集和实现代码在MIT许可证下提供。

英文摘要

Scientific machine learning models, as versatile tools for numerical simulation and analysis, are increasingly transforming the landscape of fluid mechanics research. However, existing datasets and benchmarks are primarily limited to continuum fluids and provide limited support for non-equilibrium transport phenomena. To address this gap, we present TransportBench, a high-fidelity dataset and standardized benchmark for non-equilibrium flow transport, designed to reveal the strengths and limitations of neural network models across diverse flow regimes. Specifically, the dataset encompasses a broad physical spectrum, covering continuum and rarefied regimes, low-speed and hypersonic flows, inert and chemically reactive gases, and both translational and internal-energy non-equilibrium effects. Built upon this dataset, we systematically benchmark representative neural architectures using unified evaluation protocols to probe key challenges in learning non-equilibrium flows, including robustness to shock-dominated discontinuities and multi-scale effects, as well as generalization across geometry and physical parameters. Numerical results demonstrate that model performance exhibits a pronounced dependence upon the specific flow characteristics. No single architecture consistently performs best for all the tasks. Instead, different architectural inductive biases provide distinct advantages in capturing smooth flow fields, shock-induced discontinuities, and high-order non-equilibrium statistics. By jointly providing the non-equilibrium flow dataset and model benchmark, TransportBench offers a new testbed for the development, evaluation, and diagnosis of scientific machine learning methods for fluid transport beyond the Navier-Stokes hydrodynamics. The benchmark datasets and implementation codes are available under the MIT license.

2606.02954 2026-06-03 physics.app-ph cond-mat.mtrl-sci

AlN Gate Interlayer for UWBG AlGaN Transistors with Breakdown Field >6.9 MV/cm and PFOM >1.8 GW/cm2

用于击穿场>6.9 MV/cm和PFOM>1.8 GW/cm²的超宽带隙AlGaN晶体管的AlN栅极中间层

Seungheon Shin, Jonathan Pratt, Joe McGlone, Yinxuan Zhu, Brianna A. Klein, Andrew Armstrong, Andrew A. Allerman, Siddharth Rajan

AI总结 通过再生长外延AlN栅极中间层,实现了超宽带隙AlGaN极化梯度场效应晶体管的击穿场强超过6.94 MV/cm和功率优值超过1.87 GW/cm²,展示了其在下一代高功率开关和射频应用中的潜力。

Comments 10 pages, 9 figures

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AI中文摘要

我们报道了具有再生长外延AlN栅极中间层的超宽带隙(UWBG)AlGaN极化梯度场效应晶体管(PolFETs)的演示。引入外延AlN栅极中间层使得击穿强度显著提高,平均击穿场强超过6.94 MV/cm,代表了横向场效应晶体管的最先进水平,同时保持了超过1 A/mm的优异导通电流密度。外延AlN的集成使得在超过1.45 kV的击穿电压下,功率开关优值超过1.87 GW/cm²,达到最先进水平。这项工作展示了UWBG AlGaN在下一代高功率开关和射频应用中的潜力,通过高质量外延再生长AlN栅极中间层实现了增强的器件性能。

英文摘要

We report the demonstration of regrown epitaxial AlN gate interlayers with ultra-wide bandgap (UWBG) AlGaN polarization-graded field effect transistors (PolFETs). The introduction of the epitaxial AlN gate interlayer enables significant improvement in breakdown strength, with average breakdown field exceeding 6.94 MV/cm, which represents state-of-the-art for lateral field effect transistors, while maintaining excellent on-state current density exceeding 1 A/mm. The integration of epitaxial AlN enables state-of-the-art power-switching figure of merit exceeding 1.87 GW/cm2 at a breakdown voltage exceeding 1.45 kV. This work shows the potential of UWBG AlGaN for next-generation high-power switching and RF applications with enhanced device performance established by a high-quality epitaxially regrown AlN gate interlayer.

2606.02940 2026-06-03 physics.flu-dyn

Scale-invariance and characteristic length scale for the large-scale vortices in geostrophic convective turbulence with friction

地转对流湍流中摩擦作用下大尺度涡旋的尺度不变性与特征长度尺度

Guang-Yu Ding, Tian-Yi Pei, Hang-Yu Zhu, Ke-Qing Xia

AI总结 通过直接数值模拟研究线性摩擦对旋转瑞利-贝纳德对流中大尺度涡旋尺寸的影响,发现涡旋半径遵循R_LSV~α^{-1/2},并揭示其源于正压模态的k^{-3}能谱及非局域逆能量传递机制。

Comments 17 pages, 11 figures, topic is about geostrophic convective turbulence

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AI中文摘要

在地转对流湍流中,大尺度涡旋通过逆级能量传递产生,并通常受大尺度摩擦的调控。然而,摩擦在设定大尺度涡旋尺寸中的作用仍不清楚。这里,我们对带有线性摩擦项$\alpha\mathbf{u}$的旋转瑞利-贝纳德对流进行直接数值模拟。与从Kraichnan-Leith-Batchelor理论得到的经典预测$L_\alpha\sim\alpha^{-3/2}$相反,我们发现大尺度涡旋半径遵循$R_{LSV}\sim\alpha^{-1/2}$。这一差异源于正压(二维)模态的能量谱,其在逆级能量传递范围内表现为$E_{2D}(k)\sim k^{-3}$,而非典型的$k^{-5/3}$标度。为解释这一行为,我们分析了正压模态的能量路径,并表明逆传递是强非局域的,将广泛的中间尺度直接耦合到截断尺度。我们提出这种耦合导致局域和大尺度剪切应变率之间的平衡,从而产生尺度不变的粗粒化涡度。由此得到的预测$E_{2D}(k)\sim k^{-3}$得到了环量统计$\langle|\Gamma(r)|\rangle\sim r^2$的支持。观测到的$k^{-3}$谱自然导出标度$R_{LSV}\sim\alpha^{-1/2}$。这些结果为凝聚主导湍流中广泛观测到的$k^{-3}$谱提供了物理解释,并表明基于经典$k^{-5/3}$谱的大尺度涡旋尺寸估计在地球物理和天体物理流动中可能存在显著偏差。

英文摘要

In geostrophic convective turbulence, large-scale vortices (LSVs) emerge through upscale energy transfer and are commonly regulated by large-scale friction. Yet the role of friction in setting the LSV size remains poorly understood. Here we perform direct numerical simulations of rotating Rayleigh-Benard convection with a linear friction term $α\mathbf{u}$. Contrary to the classical prediction $L_α\simα^{-3/2}$ obtained from the Kraichnan-Leith-Batchelor (KLB) theory, we find that the LSV radius follows $R_{LSV}\simα^{-1/2}$. This discrepancy originates from the energy spectrum of the barotropic (2D) manifold, which exhibits $E_{2D}(k)\sim k^{-3}$ over the range of upscale energy transfer, rather than the canonical $k^{-5/3}$ scaling. To explain this behavior, we analyze the energy pathways of the barotropic manifold and show that the inverse transfer is strongly nonlocal, coupling a broad range of intermediate scales directly to the cutoff scale. We propose that this coupling leads to a balance between the local and large-scale shear strain rates, resulting in a scale-invariant coarse-grained vorticity. The resulting prediction $E_{2D}(k)\sim k^{-3}$ is supported by circulation statistics exhibiting $\langle|Γ(r)|\rangle\sim r^2$. The observed $k^{-3}$ spectrum naturally yields the scaling $R_{LSV}\simα^{-1/2}$. These results provide a physical interpretation for the widely observed $k^{-3}$ spectrum in condensation-dominated turbulence and suggest that LSV-size estimates based on the classical $k^{-5/3}$ spectrum may be significantly biased in geophysical and astrophysical flows.

2606.02917 2026-06-03 physics.chem-ph

Vibrations Drive Ultrafast Intersystem Crossing of a Photoexcited Cr(III) Complex

振动驱动光激发Cr(III)配合物的超快系间窜越

Ying You, James K. McCusker, Arshad Mehmood, Benjamin G. Levine

AI总结 通过从头算分子动力学模拟和电子结构分析,研究了Cr(III)配合物光激发后4T2g→2Eg系间窜越过程中振动模式对能隙和自旋-轨道耦合的调控机制。

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AI中文摘要

Cr(III)配位配合物是研究具有自旋转换的超快激发态动力学的典型3d过渡金属体系,因其光激发后固有的系间窜越(ISC)路径4T2g→2Eg。本文对模型Cr(III)配位配合物的4T2g态进行了从头算分子动力学模拟,随后分析了多参考电子结构性质。在50条轨迹中,该化合物在激发态保持持久的Jahn-Teller畸变,同时表现出频率为219 cm-1和465 cm-1的显著对称金属-配体键伸缩振动。态平均完全活性空间自洽场(SA-CASSCF)计算得到了两个对应的具有对称伸缩特征的简正模,频率分别为225 cm-1和487 cm-1。较低频率的扭转/剪式振动强烈调制4T2g/2Eg能隙,周期性地使能隙归零,而自旋-轨道耦合基本上不随振动运动变化(≈60-80 cm-1)。此外,从2Eg到更高配体-金属电荷转移(LMCT)态的单点激发态吸收计算表明,先前在瞬态吸收光谱中观察到的相干性源于2Eg面上的核运动。这些结果揭示了振动运动与电子跃迁之间的关联,有助于通过利用配体多样性合理设计具有所需激发态性质的过渡金属配合物。

英文摘要

The Cr(III) coordination complex serves as an archetypical 3d transition metal system for probing ultrafast excited-state dynamics with spin conversion due to its intrinsic intersystem crossing (ISC) pathway, $^{4}T_{2g} \rightarrow ^{2}E_{g}$, upon photoexcitation. Here we conduct ab initio molecular dynamics simulations in the $^{4}T_{2g}$ state of a model Cr(III) coordination complex, followed by analyses of multireference electronic structure properties. Across 50 trajectories, the compound retains a persistent Jahn-Teller distortion in the excited state, while exhibiting prominent symmetric metal-ligand bond stretching vibrations with frequencies of 219 cm$^{-1}$ and 465 cm$^{-1}$. State-averaged complete active space self-consistent field (SA-CASSCF) calculations obtain two corresponding normal modes at 225 cm$^{-1}$ and 487 cm$^{-1}$ with symmetric stretching character. The lower-frequency twisting/scissoring mode strongly modulates the $^{4}T_{2g}/^{2}E_{g}$ energy gap, periodically zeroing the energy gap, whereas spin-orbit coupling is essentially invariant to vibrational motion ($\approx$ 60-80 cm$^{-1}$). Furthermore, calculations of single-point excited-state absorption from $^{2}E_{g}$ to a higher ligand-to-metal charge-transfer (LMCT) state indicate that the coherences previously observed in transient absorption spectra arise from nuclear motion on the $^{2}E_{g}$ surface. These results provide insights into the correlation between vibrational motion and electronic transitions, which can facilitate rational molecular design of transition metal complexes with desired excited-state properties by leveraging ligand versatility.

2606.02901 2026-06-03 physics.plasm-ph

Coordinate-invariant flux-surface Fourier analysis in tokamaks

托卡马克中坐标不变的磁面傅里叶分析

Matthew Pharr, Evan Bursch, Nikolas Logan, Priyansh Lunia, Jong-Kyu Park, Carlos Paz-Soldan

AI总结 本文提出一种加权方法,使得托卡马克中共振量和外部量的傅里叶谱在坐标变换下不变,并通过GPEC计算验证了该方法的有效性。

Comments 9 pages, 6 figures

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AI中文摘要

托卡马克中共振量的傅里叶谱依赖于磁坐标的选择,而傅里叶被积函数的面积加权保留了有理面上的共振系数。该结果仅约束了内部区域;外部傅里叶谱的坐标依赖性(决定了与共振磁扰动(RMP)线圈和误差场穿透的耦合)尚未处理。本文表明,将平方根面积加权的真空场扰动与全面积加权的共振场配对,得到一个耦合矩阵C,其奇异值在坐标变换下不变,且其右奇异向量在不同坐标系下重构出一致的实空间场模式,从而完成了等离子体-三维场耦合范式的坐标不变性图景。GPEC计算证实了该解析结果,并表明对于强成形、低纵横比平衡,不恰当加权的耦合矩阵可能产生主导模式,其与真空场扰动的重叠在不同坐标系间相差2-3倍,且差异随反纵横比增大而增大。同样的坐标依赖性也困扰着其他公式,如三模度量或未恰当加权的q=2共振场归零。该结果适用于任何计算磁面上共振量或外部量傅里叶谱的工具。

英文摘要

The Fourier spectra of resonant quantities in tokamaks depend on the choice of magnetic coordinates, and an area weighting of the Fourier integrand preserves the resonant coefficients on rational surfaces. That result constrains only the resonant interior; the coordinate dependence of the external Fourier spectrum, which determines the coupling to Resonant Magnetic Perturbation (RMP) coils and error-field penetration, was left untreated. This paper shows that pairing a square-root-area weighted vacuum field perturbation with a full-area-weighted resonant field yields a coupling matrix C whose singular values are invariant under coordinate transformations and whose right singular vectors reconstruct to a consistent real-space field pattern across coordinate systems, completing the coordinate-invariance picture for the plasma-3D-field coupling paradigm. GPEC calculations confirm the analytic result and show that improperly weighted coupling matrices can produce dominant modes whose overlap with the vacuum field perturbation differs by a factor of $2--3$ between coordinate systems for strongly shaped, low aspect ratio equilibria, with the discrepancy growing with inverse aspect ratio. The same coordinate dependence afflicts alternative formulations such as the three-mode metric or zeroing the $q=2$ resonant field without proper weighting. The result applies to any tool computing Fourier spectra of resonant or external quantities on flux surfaces.