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First comprehensive high resolution study of the 28SiH4 octad bending bands 对 28SiH[式省略]八边形弯曲带的首次全面高分辨率研究
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-13 DOI: 10.1016/j.jqsrt.2024.109259
O.N. Ulenikov , O.V. Gromova , E.S. Bekhtereva , N.I. Nikolaeva , C. Sydow , S. Bauerecker
The infrared spectrum of mono-silane was measured at varied experimental conditions with a Bruker Fourier transform infrared spectrometer IFS125HR and analyzed for the first time in the 2600–2950 cm−1 region of the octad where 16 strongly interacting triply excited bending bands are located. The 3505 transitions belonging to fourteen sub-bands of the octad (with the exception of unappeared 3ν4(A1) and 3ν2(A2)) were assigned (Jmax=20) and theoretically analyzed in the frame of the effective Hamiltonian model. The obtained set of 139 fitted parameters reproduces the initial 3505 experimental line positions with the drms=7.3×104 cm−4. A list of assigned experimental transitions is presented as the Supplementary data 2 to this paper.
利用布鲁克傅立叶变换红外光谱仪 IFS125HR,在不同的实验条件下测量了单硅烷的红外光谱,并首次分析了八边形 2600-2950 cm-1 区域内 16 个强相互作用的三激发弯曲带。在有效哈密顿模型的框架内,对属于八边形 14 个子带(未出现的 3ν4(A1) 和 3ν2(A2) 除外)的 3505 个跃迁进行了分配(Jmax=20)和理论分析。得到的 139 个拟合参数再现了最初的 3505 条实验线位置,drms=7.3×10-4 cm-4。本文的补充数据 2 列出了分配的实验转变列表。
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引用次数: 0
Update Granada–Amsterdam Light Scattering Database 更新格拉纳达-阿姆斯特丹光散射数据库
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-12 DOI: 10.1016/j.jqsrt.2024.109252
O. Muñoz , E. Frattin , J. Martikainen , D. Guirado , M. Passas-Varo , J. Escobar-Cerezo , F.J. García-Izquierdo , J.C. Gómez-Martín , Z. Gray , T. Jardiel , F. Moreno , A.J. Ocaña , M. Peiteado , A.T. Gallego-Calvente , H. Volten
We present an update to the Granada–Amsterdam Light Scattering Database (https://scattering.iaa.es/), which includes experimental data from both the IAA-Cosmic Dust Laboratory in Granada and the Amsterdam light scattering setup. The updated version features an expanded collection of samples and a more user-friendly interface. We have extended the size range of our mineral samples to mm-cm-sized single particles. Additionally, we have added the diffuse reflectance spectra of some of our powder samples and, from these spectra, obtained the corresponding refractive indices (200 nm–2000 nm). We have also incorporated synthetic scattering matrices defined across the entire scattering angle range (0° to 180°) for most of the powder samples contained in the database. Data in the database are freely available under the request of citation of this paper and the paper in which the data are published.
我们介绍了格拉纳达-阿姆斯特丹光散射数据库(https://scattering.iaa.es/)的更新版,其中包括来自格拉纳达国际宇航科学院宇宙尘埃实验室和阿姆斯特丹光散射装置的实验数据。更新版的特点是扩大了样品收集范围,界面更加友好。我们将矿物样本的尺寸范围扩大到毫米-厘米大小的单个颗粒。此外,我们还添加了一些粉末样品的漫反射光谱,并从这些光谱中获得了相应的折射率(200 nm-2000 nm)。我们还为数据库中的大多数粉末样品添加了在整个散射角范围(0° 至 180°)内定义的合成散射矩阵。数据库中的数据可免费提供,但需注明本文和数据发表的论文。
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引用次数: 0
Approximate P3 equation analysis in multi-layer slab media: Steady-state and time-domain based on the diffusion model 多层板状介质中的近似 P3 方程分析:基于扩散模型的稳态和时域分析
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-12 DOI: 10.1016/j.jqsrt.2024.109245
Xichang Wang
This study aimed to establish a steady-state and time-domain solutions for the approximate P3 equation in arbitrary multi-layer slab media for light propagation, based on a diffusion model with an isotropic point source in the first layer and extrapolated boundary conditions. Spatially resolved diffuse reflectance and transmittance were calculated using the steady-state approximation of the P3 equation, whereas temporally resolved diffuse reflectance and transmittance were derived from the time-domain approximation. The validity of the approximate P3 solutions was confirmed by comparing their results with Monte Carlo simulations. In steady-state analysis, the approximate P3 equation demonstrated superior accuracy to the diffusion equation for reflectance, particularly at smaller thicknesses. Accuracy further improved as the absorption coefficient and detection distance increased. For transmittance, the approximate P3 equation closely matched the diffusion equation at low thickness, but divergence occurred with higher absorption. In time-domain analysis, the approximate P3 equation aligned closely with Monte Carlo simulations at peak values, while its numerical values were close approximations of the diffusion equation away from the peak. The potential application of the approximate P3 equation in multi-layer media offers significant advancements for optical non-invasive detection and treatment techniques, enabling the extraction of optical parameters from such media.
本研究旨在根据第一层各向同性点光源的扩散模型和外推边界条件,建立任意多层板状介质中光传播近似 P3 方程的稳态和时域解。利用 P3 方程的稳态近似法计算了空间分辨率的漫反射和透射率,而时间分辨率的漫反射和透射率则是通过时域近似法得出的。通过将近似 P3 解法的结果与蒙特卡罗模拟进行比较,证实了其有效性。在稳态分析中,近似 P3 方程的反射率精度优于扩散方程,特别是在厚度较小的情况下。随着吸收系数和探测距离的增加,精确度进一步提高。在透射率方面,近似 P3 方程在厚度较低时与扩散方程非常接近,但在吸收率较高时出现了偏差。在时域分析中,近似 P3 方程在峰值时与蒙特卡罗模拟非常吻合,而在远离峰值时,其数值与扩散方程非常接近。近似 P3 方程在多层介质中的潜在应用为光学无创检测和治疗技术提供了重大进展,使从此类介质中提取光学参数成为可能。
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引用次数: 0
Physics-informed neural networks for modeling atmospheric radiative transfer 用于大气辐射传输建模的物理信息神经网络
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-12 DOI: 10.1016/j.jqsrt.2024.109253
Shai Zucker , Dmitry Batenkov , Michal Segal Rozenhaimer
Understanding the radiative transfer processes in the Earth’s atmosphere is crucial for accurate climate modeling and climate change predictions. These processes are governed by complex physical phenomena, which can be generally modeled by the radiative transfer equation (RTE). Solutions to the RTE are obtained by various methods including numerical (standard RTE solvers), stochastic (Monte-Carlo), and data-driven (machine-learning) approaches. This paper introduces a novel numerical approach utilizing a Physics-Informed Neural Network (PINN) to solve the RTE in atmospheric scenarios, applying physics constraints in a machine-learning framework. We show that our PINN model offers a flexible and efficient solution, enabling the simulation of radiance values using plane-parallel atmosphere, and under diverse conditions, including clouds and aerosols.
了解地球大气中的辐射传递过程对于准确的气候建模和气候变化预测至关重要。这些过程受复杂物理现象的支配,一般可以用辐射传递方程(RTE)来模拟。RTE 的解可以通过各种方法获得,包括数值(标准 RTE 求解器)、随机(蒙特卡洛)和数据驱动(机器学习)方法。本文介绍了一种新颖的数值方法,利用物理信息神经网络(PINN)求解大气场景中的 RTE,在机器学习框架中应用物理约束。我们的研究表明,我们的 PINN 模型提供了一种灵活高效的解决方案,能够在包括云层和气溶胶在内的各种条件下,利用平面平行大气模拟辐射值。
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引用次数: 0
The j and k dependencies of N2-, O2-, and air-broadened halfwidths of the CH3CN molecule CH3CN 分子的 N2-、O2- 和空气增宽半宽的 j 和 k 依赖关系
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-08 DOI: 10.1016/j.jqsrt.2024.109265
Q. Ma , C. Boulet
The N2-, O2, and air-broadened halfwidths of CH3CN lines in the parallel ν4 band have been calculated, along with the relaxation matrices W. These calculations employ our modified and refined versions of the Robert-Bonamy formalism and use all potential parameters from the literature without adjustments. Extensive comparisons between the predicted N2-broadened halfwidths in the qR and qP branches from the models at T = 296 K and experimental measurements are presented, showing that our latest model very closely matches the measurements. For the qQ branch, where measurements are unavailable, we compare our N2-broadened halfwidths with the converted air-broadened data from HITRAN 2008, obtaining similarly good agreement. The variation in the j and k dependencies of the N2-broadened halfwidths is discussed in detail. Additionally, the theoretically determined conversion factor from N2- to air-broadening is provided. Finally, based on our theoretical calculations of N2-broadened halfwidths of the qR(j,3) lines at five different temperatures, ranging from 250 K to 350 K, the temperature exponent N is determined and its dependence on j is analyzed.
这些计算采用了我们对罗伯特-博纳米形式主义的修改和完善版本,并使用了文献中的所有电势参数,未作任何调整。在 T = 296 K 时,模型预测的 qR 和 qP 支 N2 扩宽半宽与实验测量结果进行了广泛的比较,结果表明我们的最新模型与测量结果非常接近。对于没有测量数据的 qQ 支,我们将我们的 N2 展宽半宽与来自 HITRAN 2008 的转换空气展宽数据进行了比较,得到了类似的良好一致性。我们详细讨论了 N2 扩增半宽的 j 和 k 依赖性变化。此外,还提供了从 N2-到空气增宽的理论确定的转换系数。最后,根据我们对从 250 K 到 350 K 五种不同温度下 qR(j,3) 线的 N2 扩宽半宽的理论计算,确定了温度指数 N 并分析了它与 j 的关系。
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引用次数: 0
Line-shape parameters and their temperature dependence for self-broadened CO2 lines in the 296 K- 1250 K range by requantized classical molecular dynamics simulations 通过重量化经典分子动力学模拟研究 296 K-1250 K 范围内自展宽二氧化碳线的线形参数及其温度依赖性
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-08 DOI: 10.1016/j.jqsrt.2024.109264
N.H. Ngo , H. Tran
Line-shape parameters for self-broadened CO2 transitions are predicted for temperatures ranging from 296 K to 1250 K, using requantized molecular dynamics simulations (rCMDS). The line broadening coefficient, the speed dependence component and the first-order line-mixing coefficient for lines with rotational quantum number from 2 to 100, have been determined from fits of the rCMDS spectra with the Voigt and speed dependent Voigt profiles. These parameters and their temperature dependence were compared with recent high-quality measurements at both room and high temperatures, showing good agreements for all considered parameters. In particular, this study highlights that the temperature dependence of the speed dependent Voigt line broadening coefficient in the HITRAN database needs to be corrected. Additionally, we demonstrate that the temperature dependence for the speed-dependence of the line broadening differs from that of the line broadening, contrary to the assumption widely used in the literature. These findings confirm the quality of theoretical predictions using rCMDS. The data provided can be used to complete and improve spectroscopic databases for various applications.
利用再量化分子动力学模拟(rCMDS)预测了 296 K 至 1250 K 温度范围内二氧化碳自展宽跃迁的线形参数。通过对 rCMDS 光谱与 Voigt 和速度相关 Voigt 曲线的拟合,确定了旋转量子数为 2 到 100 的线的线展宽系数、速度相关分量和一阶线混合系数。将这些参数及其与温度的关系与最近在室温和高温下进行的高质量测量结果进行了比较,结果表明所有考虑的参数都具有良好的一致性。这项研究特别指出,HITRAN 数据库中与速度相关的 Voigt 线展宽系数与温度的关系需要修正。此外,我们还证明了线展宽与速度相关的温度依赖性与线展宽的温度依赖性不同,这与文献中广泛使用的假设相反。这些发现证实了使用 rCMDS 进行理论预测的质量。所提供的数据可用于完善和改进各种应用的光谱数据库。
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引用次数: 0
Transmission characteristics of vortex light superposition in atmospheric turbulence disturbed by plane acoustic waves 受平面声波干扰的大气湍流中涡旋光叠加的传输特性
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-08 DOI: 10.1016/j.jqsrt.2024.109266
Jialin Zhang , Mingjun Wang , Xiaohu Wu , Min Liu
Herein, we derive the expression for the atmospheric refractive index structure constant under the influence of planar acoustic wave perturbations under the influence of the acoustic field on the refractive index and energy of the atmosphere. Utilizing the low-frequency compensated power spectrum inversion technique, we simulate the refractive index power spectrum of atmospheric turbulence perturbed by a planar acoustic wave. Numerical analysis is conducted on the transmission characteristics of the vortex light superposition states in atmospheric turbulence perturbed by a plane acoustic wave under different acoustic wave transmission heights, acoustic pressure amplitudes, and frequencies. Results indicate that introducing an acoustic field induces fluctuations in the atmospheric refractive index structure constant, with a more pronounced impact on the refractive index than on energy. Compared with the sole consideration of the impact of the acoustic field on the atmospheric refractive index, incorporating its effect on atmospheric energy results in a decrease in the atmospheric refractive index structure constant. The impact of the acoustic field on atmospheric turbulence is directly proportional to both acoustic pressure amplitude and frequency. The influence of the acoustic field on the transmission properties of the vortex optical superposition state varies with different acoustic transmission distances. Consequently, the transmission characteristics of the vortex light superposition state can be actively modulated according to varying acoustic wave transmission distances. This study offers a theoretical basis for modulating the optical field transmission characteristics via acoustic fields.
在此,我们根据声场对大气折射率和能量的影响,推导出了平面声波扰动影响下的大气折射率结构常数表达式。利用低频补偿功率谱反演技术,我们模拟了受到平面声波扰动的大气湍流的折射率功率谱。对平面声波扰动大气湍流中涡旋光叠加态在不同声波传输高度、声压幅值和频率下的传输特性进行了数值分析。结果表明,引入声场会引起大气折射率结构常数的波动,对折射率的影响比对能量的影响更明显。与只考虑声场对大气折射率的影响相比,考虑声场对大气能量的影响会导致大气折射率结构常数下降。声场对大气湍流的影响与声压振幅和频率成正比。声场对涡旋光学叠加态传输特性的影响随声波传输距离的不同而变化。因此,涡旋光叠加态的传输特性可以根据不同的声波传输距离进行主动调制。这项研究为通过声场调制光场传输特性提供了理论依据。
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引用次数: 0
Analysis of the radiative corrections and dynamic extensions to the local field in the effective refractive index of particle suspensions 颗粒悬浮物有效折射率的辐射修正和局部场动态扩展分析
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109262
Omar Vázquez-Estrada , Augusto García-Valenzuela , Anays Acevedo-Barrera , Rubén G. Barrera
We analyze the predictions of two recently developed effective-medium approximations for the effective refractive index of a system of either transparent or plasmonic spherical particles, dispersed randomly in a transparent liquid matrix, as a function of their geometrical and physical parameters. The importance and significance of these approximations is that besides the radiative corrections to the optical response of the particles, they include full dynamic corrections to the field exciting any given particle. We perform this analysis by comparing the values obtained using them with the ones obtained from three well-known and widely used effective-medium approximations: Maxwell Garnett, Maxwell Garnett-Mie and van de Hulst. We provide plots of the real and imaginary parts of the effective index of refraction, for the five approximations considered, for polystyrene and gold nanoparticles of different sizes, as a function of the filling fraction and wavelength, pointing out the relevance of the new predictions, as well as the actual physical processes behind the so-called dependent scattering and what we now call dependent absorption.
我们分析了最近开发的两种有效介质近似方法对随机分散在透明液体基质中的透明或等离子球形粒子系统的有效折射率的预测,它们是粒子的几何和物理参数的函数。这些近似值的重要性和意义在于,除了对粒子光学响应的辐射修正外,它们还包括对激发任何给定粒子的场的全动态修正。我们在进行分析时,将使用这些近似值获得的数值与使用三种著名且广泛使用的有效介质近似值获得的数值进行了比较:Maxwell Garnett、Maxwell Garnett-Mie 和 van de Hulst。我们提供了针对不同尺寸的聚苯乙烯和金纳米粒子,所考虑的五种近似值的有效折射率的实部和虚部与填充分数和波长的函数关系图,指出了新预测的相关性,以及所谓的依附散射和我们现在所说的依附吸收背后的实际物理过程。
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引用次数: 0
A mixing rule for imaginary parts of refractive indices of aerosols or colloids in the Rayleigh regime 瑞利模式下气溶胶或胶体折射率虚部的混合规则
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109254
Hans Moosmüller , Justin B. Maughan , Prakash Gautam , Christopher M. Sorensen
A Rayleigh mixing rule that relates the effective imaginary part of the refractive index of a composite medium, such as an aerosol or colloid, to the complex refractive index of the Rayleigh particles is derived using Rayleigh scattering theory. The derivation is simple, straightforward, and only weakly dependent on particle morphology. The Rayleigh mixing rule offers an opportunity to derive the imaginary part of refractive index spectra of Rayleigh particles, suspended in a non-absorbing medium with known refractive index spectrum, from an extinction spectrum of the composite medium. However, for this application, the real refractive index spectrum of the particle must be known reasonably well and the imaginary part must be known well enough to decide between two mathematical solutions for it. The Rayleigh mixing rule is compared with widely used mixing rules (i.e., volume, Maxwell Garnett, and Bruggeman mixing rules) and we show that in the small volume fraction regime both the Maxwell Garnet and Bruggeman mixing rules agree with the Rayleigh mixing rule.
利用瑞利散射理论推导出一种瑞利混合规则,它将气溶胶或胶体等复合介质折射率的有效虚部与瑞利粒子的复折射率联系起来。推导过程简单明了,对颗粒形态的依赖性很弱。利用瑞利混合规则,可以从复合介质的消光光谱推导出悬浮在具有已知折射率光谱的非吸收介质中的瑞利粒子折射率光谱的虚部。不过,在这种应用中,粒子的实折射率光谱必须相当清楚,而虚部折射率光谱也必须足够清楚,以便在两种数学解法之间做出选择。我们将瑞利混合规则与广泛使用的混合规则(即体积、麦克斯韦-加内特和布鲁格曼混合规则)进行了比较,结果表明,在小体积分数条件下,麦克斯韦-加内特和布鲁格曼混合规则都与瑞利混合规则一致。
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引用次数: 0
Impacts of scattering plane randomization on lidar multiple scattering polarization signals from water clouds 散射面随机化对来自水云的激光雷达多重散射偏振信号的影响
IF 2.3 3区 物理与天体物理 Q2 OPTICS Pub Date : 2024-11-07 DOI: 10.1016/j.jqsrt.2024.109256
Zhen Wang
Under a general approximation of multiple scattering paths involving small-angle scatterings interspersed with occasional large-angle scatterings, we performed Monte Carlo vector radiative transfer simulations to investigate the spatial and temporal distribution of the reduced Mueller matrix (RMM) of lidar returns from water clouds. Our findings indicate that the normalized RMM elements M̃22 and M̃33 are highly affected by two types of scattering plane randomizations: the overall rotation of scattering planes along multiple scattering paths, and the correlation of the rotation of scattering planes along sub-paths separated by large-angle scatterings. The simulation results reveal that the specific geometries of lidar multiple scattering paths, driven by strong forward-scattering in water clouds, result in the two scattering plane randomizations producing markedly different effects on the linear polarization. This insight not only elucidates the varying decline rates in linearly cross-polarized pattern contrast and linear polarization degree observed in current on-beam lidars but also establishes a basis for analyzing polarized signals in potential future off-beam lidar systems.
在涉及小角散射和偶尔大角散射的多散射路径的一般近似下,我们进行了蒙特卡洛矢量辐射传递模拟,以研究水云激光雷达回波的还原穆勒矩阵(RMM)的空间和时间分布。我们的研究结果表明,归一化的 RMM 元素 M̃22′ 和 M̃33′ 受两类散射平面随机化的影响很大:散射平面沿多条散射路径的整体旋转,以及散射平面沿被大角度散射分隔的子路径旋转的相关性。模拟结果表明,在水云强前向散射的驱动下,激光雷达多重散射路径的特定几何形状导致两种散射平面随机化对线性极化产生明显不同的影响。这一见解不仅阐明了在目前的波束激光雷达中观察到的线性交叉偏振图案对比度和线性偏振程度的不同下降率,而且为分析未来潜在的波束外激光雷达系统中的偏振信号奠定了基础。
{"title":"Impacts of scattering plane randomization on lidar multiple scattering polarization signals from water clouds","authors":"Zhen Wang","doi":"10.1016/j.jqsrt.2024.109256","DOIUrl":"10.1016/j.jqsrt.2024.109256","url":null,"abstract":"<div><div>Under a general approximation of multiple scattering paths involving small-angle scatterings interspersed with occasional large-angle scatterings, we performed Monte Carlo vector radiative transfer simulations to investigate the spatial and temporal distribution of the reduced Mueller matrix (RMM) of lidar returns from water clouds. Our findings indicate that the normalized RMM elements <span><math><msubsup><mrow><mover><mrow><mi>M</mi></mrow><mrow><mo>̃</mo></mrow></mover></mrow><mrow><mn>22</mn></mrow><mrow><mo>′</mo></mrow></msubsup></math></span> and <span><math><msubsup><mrow><mover><mrow><mi>M</mi></mrow><mrow><mo>̃</mo></mrow></mover></mrow><mrow><mn>33</mn></mrow><mrow><mo>′</mo></mrow></msubsup></math></span> are highly affected by two types of scattering plane randomizations: the overall rotation of scattering planes along multiple scattering paths, and the correlation of the rotation of scattering planes along sub-paths separated by large-angle scatterings. The simulation results reveal that the specific geometries of lidar multiple scattering paths, driven by strong forward-scattering in water clouds, result in the two scattering plane randomizations producing markedly different effects on the linear polarization. This insight not only elucidates the varying decline rates in linearly cross-polarized pattern contrast and linear polarization degree observed in current on-beam lidars but also establishes a basis for analyzing polarized signals in potential future off-beam lidar systems.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109256"},"PeriodicalIF":2.3,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Journal of Quantitative Spectroscopy & Radiative Transfer
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