Journal of Quantitative Spectroscopy & Radiative Transfer最新文献_第2页

In-plane spectral, directional radiative properties of flat and corrugated polished copper surfaces between 550 and 1100 nm 平面和波纹抛光铜表面在550和1100nm之间的面内光谱，定向辐射特性

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-01-28 DOI: 10.1016/j.jqsrt.2026.109855

Ehsan Mofidipour, Matthew R. Jones, Brian D. Iverson

Control of radiative surface properties is critical in the design and optimization of thermal systems. Intrinsic radiative surface properties are generally static, but apparent radiative surface properties may be controlled by modifying the geometry of a surface. Therefore, geometric modifications enable the adaptation of thermal management systems to transient environmental conditions through dynamic control of radiative surface properties. In this study, the radiative properties of a flat, polished copper surface and the apparent radiative properties of a corrugated, polished copper surface are measured for various angles of incidence of the spectral intensity, over a limited range within the visible and near-infrared spectra (550–1100 nm). A measurement framework that relates measurements of the in-plane spectral, directional-directional reflectivity to the in-plane spectral, bidirectional reflectance distribution function (BRDF) is presented. Since the BRDF is the fundamental radiative surface property, it may be used to obtain the spectral, directional emissivity for surfaces. Results indicate that the spectral, directional-hemispherical reflectivity of the corrugated surface is significantly less than that of the flat surface. The spectral, directional emissivity of the corrugated copper surface is greater than approximately 0.93 at all wavelengths. In contrast, the spectral, directional emissivity of the flat copper surface varies between 0.6–0.73 in the visible spectral range studied and this value decreases in the near-infrared region across all directions (∼0.18–0.23). The orientation of the grooves with respect to the incident intensity affects the spectral, directional emissivity. The spectral, directional emissivity of the corrugated surface decreases by 24% (from 0.95 to 0.71), 16% (from 0.93 to 0.77), and 13% (from 0.96 to 0.83) when it was rotated 60° at 600, 800, and 1000 nm, respectively. These observations suggest that emission by the corrugated surface may be guided in a preferred direction.

在热系统的设计和优化中，辐射表面特性的控制是至关重要的。固有辐射表面性质通常是静态的，但表观辐射表面性质可以通过修改表面的几何形状来控制。因此，几何修改使热管理系统能够通过动态控制辐射表面特性来适应瞬态环境条件。在本研究中，在可见光和近红外光谱（550-1100 nm）的有限范围内，测量了平坦抛光铜表面和波纹抛光铜表面在不同光谱强度入射角下的表观辐射特性。提出了一种将面内光谱、方向反射率与面内光谱、双向反射率分布函数（BRDF）联系起来的测量框架。由于BRDF是基本的表面辐射特性，它可以用来获得表面的光谱、定向发射率。结果表明，波纹表面的光谱反射率、方向反射率明显小于平面反射率。波纹铜表面的光谱定向发射率在所有波长下都大于约0.93。相比之下，平坦铜表面的光谱定向发射率在研究的可见光谱范围内变化在0.6-0.73之间，该值在近红外区域的所有方向上都减小（~ 0.18-0.23）。凹槽的方向相对于入射强度影响光谱、定向发射率。在600 nm、800 nm和1000 nm旋转60°时，波纹表面的光谱发射率和定向发射率分别下降24%（从0.95降至0.71）、16%（从0.93降至0.77）和13%（从0.96降至0.83）。这些观察结果表明，波纹表面的发射可能被引导到一个优选的方向。

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引用次数: 0

Theoretical study of energy levels and radiative transitions of K-shell excited states in the Be-like Sc17+ ion 类be sc17 +离子k壳激发态能级和辐射跃迁的理论研究

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-02-06 DOI: 10.1016/j.jqsrt.2026.109856

Yan Sun , Feng Hu , Qing Chen , CuiCui Sang , Dongdong Liu , Xi Liu , Chong Han , Zhe Shi

Energy levels, lifetimes, line strengths, oscillator strengths, and transition probabilities for the

1 s 2 s^{2} n l

,

1 s 2 s 2 p n l

, and

1 s 2 p^{2} n l

(

n \leq 3

,

l = s, p, d

) configurations of the Be-like Sc

^{17 +}

ion were calculated using the multiconfiguration Dirac-Hartree–Fock (MCDHF) method, with the contributions of the Breit interaction and quantum electrodynamics (QED) corrections included. Atomic parameters for 250 K-shell excited fine-structure levels and 2441 corresponding electric dipole (E1) transitions are presented. The computed K

α

X-ray wavelengths are in good agreement with previous experimental and theoretical results, with most differences below 0.095%. The uncertainty of the calculated transition data was carefully estimated based on relative deviations from transition probabilities from different gauges. Furthermore, the accuracy of each E1 transition was individually assessed. These high-precision results are crucial for identifying and analysing X-ray spectral lines in astrophysical sources and in high-temperature laboratory plasmas, thereby enabling more accurate plasma diagnostics and modelling.

采用多组态dirac - hartre- fock （MCDHF）方法计算了类be Sc17+离子的1s2s2nl、1s2s2pnl和1s2p2nl （n≤3,l=s,p,d）构型的能级、寿命、谱线强度、振子强度和跃迁概率，其中包括Breit相互作用和量子电动力学（QED）修正的贡献。给出了250个k壳层激发精细结构能级和2441个相应的电偶极子跃迁的原子参数。计算得到的Kα x射线波长与以往的实验和理论结果吻合较好，差异大多在0.095%以下。计算出的过渡数据的不确定度根据不同量规的过渡概率的相对偏差进行了仔细的估计。此外，对每个E1转换的准确性进行了单独评估。这些高精度结果对于识别和分析天体物理源和高温实验室等离子体中的x射线谱线至关重要，从而实现更准确的等离子体诊断和建模。

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引用次数: 0

Estimation of Cloud Condensation Nuclei (CCN) using a neural network retrieval algorithm—A synthetic study for SPEXone on the NASA PACE mission 基于神经网络检索算法的云凝结核估算——NASA PACE任务SPEXone的综合研究

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.jqsrt.2026.109853

Neranga K. Hannadige , Guangliang Fu , Bastiaan van Diedenhoven , Hailing Jia , Zihao Yuan , Otto Hasekamp

<div><div>Proper proxies for CCN are vital to provide accurate observation-based estimates of Aerosol-Cloud Interactions (ACI), which are commonly used to constrain climate models. An effective proxy for CCN is the column number of aerosol particles that surpass a predetermined threshold radius (<span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> [m<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>2</mn></mrow></msup></math></span>]). This CCN proxy has been estimated from PARASOL using level 2 aerosol microphysical and/or optical property retrievals. With the advanced multi-angle polarimeters (MAPs) such as the Spectro-Polarimeter for Planetary EXploration one (SPEXone) onboard the Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) satellite, further improvements in <span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> retrievals are expected. This paper presents a deep neural network (NN) MAP algorithm as an extension for the Remote sensing of Trace gas and Aerosol Products (RemoTAP)-NN algorithm to directly retrieve <span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> and <span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> within the 0–2 km atmosphere (a representation for the boundary layer (BL)), <span><math><msub><mrow><mi>N</mi></mrow><mrow><msub><mrow><mtext>CCN</mtext></mrow><mrow><mtext>BL</mtext></mrow></msub></mrow></msub></math></span> [m<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>2</mn></mrow></msup></math></span>] from SPEXone measurements. The algorithm consists of two distinct NN models to perform the retrieval and to estimate the goodness-of-fit of the retrieval. The NN models are trained on synthetic SPEXone measurements based on 3 aerosol modes: fine mode, insoluble coarse/dust mode, and soluble coarse mode. The algorithm’s potential has been validated independently against synthetic SPEXone measurements simulated based on the 7 aerosol modes from the ECHAM-HAM global aerosol-climate model. The relative RMSE of <span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> retrieved from the NN algorithm is 0.20 over the ocean and 0.29 over land. For <span><math><msub><mrow><mi>N</mi></mrow><mrow><msub><mrow><mtext>CCN</mtext></mrow><mrow><mtext>BL</mtext></mrow></msub></mrow></msub></math></span>, the relative RMSE increases to 0.46 over the ocean and 1.04 over land. For the same validation data, the relative RMSE of <span><math><msub><mrow><mi>N</mi></mrow><mrow><mtext>CCN</mtext></mrow></msub></math></span> estimated from the RemoTAP physics-based/classical algorithm is 0.34 over the ocean and 0.54 over land. For <span><math><msub><mrow><mi>N</mi></mrow><mrow><msub><mrow><mtext>CCN</mtext></mrow><mrow><mtext>BL</mtext></mrow></msub></mrow></msub></math></span>, the relative RMSE is 0.93 over the ocean and 1.18 over land. Our

CCN的适当代理对于提供基于观测的气溶胶-云相互作用（ACI）的准确估计至关重要，ACI通常用于约束气候模式。超过预定阈值半径（NCCN [m−2]）的气溶胶颗粒柱数是CCN的有效代表。该CCN代理是利用2级气溶胶微物理和/或光学特性检索从PARASOL中估计出来的。随着“浮游生物、气溶胶、云、海洋生态系统”（PACE）卫星上搭载的SPEXone行星探测光谱偏振仪等先进多角度偏振仪（MAPs）的应用，NCCN反演有望进一步提高。本文提出了一种深度神经网络（NN） MAP算法，作为遥感微量气体和气溶胶产品(RemoTAP)-NN算法的扩展，直接从SPEXone测量中检索0-2 km大气（边界层（BL）的表示）内的NCCN和NCCN， NCCNBL [m−2]。该算法由两个不同的神经网络模型组成，用于检索和估计检索的拟合优度。神经网络模型是在基于3种气溶胶模式的合成SPEXone测量数据上训练的：细模式、不溶性粗/尘模式和溶性粗模式。根据ECHAM-HAM全球气溶胶-气候模式的7种气溶胶模式模拟的合成SPEXone测量结果，独立验证了该算法的潜力。在海洋和陆地上，NCCN的相对RMSE分别为0.20和0.29。NCCNBL在海洋和陆地上的相对RMSE分别增加到0.46和1.04。对于相同的验证数据，RemoTAP基于物理/经典算法估计的NCCN的相对RMSE在海洋上为0.34，在陆地上为0.54。NCCNBL的相对RMSE在海洋上为0.93，在陆地上为1.18。我们的研究表明，通过准确地检索CCN信息，神经网络算法可以优于经典算法的能力。

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引用次数: 0

Re-evaluation and clarification of discrepancies in hyperfine structure constants of Nb II based on experimental and semi-empirical data 基于实验和半经验数据的铌II超精细结构常数差异的重新评价和澄清

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-01-24 DOI: 10.1016/j.jqsrt.2026.109852

L. Windholz , S. Kröger , J. Ruczkowski , M. Elantkowska

Recently, revised energy values of the Nb II levels have been published, based on precise determinations of the center of gravity (cg) wavenumbers of 1121 spectral lines [ADNDT 159 (2024) 101664]. For finding the cg wave numbers for lines with widely spread hyperfine (hf) structure patterns it is necessary to know the hf constants of the involved energy levels, which are also revised or new determined in this paper. Based on these results, new semi-empirical studies of the fine- and hf-structure of Nb II were published [JQSRT 344 (2025) 109512 and 346 (2025) 109583]. In the ADNDT-paper, experimental A-values of 349 levels are given. For the majority of the levels the semi-empirically determined A-values agree well with the experimental ones, but for 28 levels a conspicuous deviation can be noticed. In the present work we tried to clarify these discrepancies. For 14 of these 28 levels revised A-values are given. For the remaining 14 levels the previously published experimental values were retained.

最近，根据对1121条谱线[ADNDT 159(2024) 101664]的重心（cg）波数的精确测定，修正了Nb II能级的能量值。为求具有广泛分布的超精细结构谱线的cg波数，需要知道所涉及能级的hf常数，本文也对这些常数进行了修正或重新确定。基于这些结果，发表了新的Nb II精细和高频结构的半经验研究[JQSRT 344(2025) 109512和346(2025)109583]。本文给出了349个能级的实验a值。对于大多数水平，半经验确定的a值与实验值一致，但对于28个水平，可以注意到明显的偏差。在目前的工作中，我们试图澄清这些差异。对于这28个级别中的14个，给出了修订后的a值。对于其余14个水平，保留先前公布的实验值。

{"title":"Re-evaluation and clarification of discrepancies in hyperfine structure constants of Nb II based on experimental and semi-empirical data","authors":"L. Windholz , S. Kröger , J. Ruczkowski , M. Elantkowska","doi":"10.1016/j.jqsrt.2026.109852","DOIUrl":"10.1016/j.jqsrt.2026.109852","url":null,"abstract":"<div><div>Recently, revised energy values of the Nb II levels have been published, based on precise determinations of the center of gravity (cg) wavenumbers of 1121 spectral lines [ADNDT 159 (2024) 101664]. For finding the cg wave numbers for lines with widely spread hyperfine (hf) structure patterns it is necessary to know the hf constants of the involved energy levels, which are also revised or new determined in this paper. Based on these results, new semi-empirical studies of the fine- and hf-structure of Nb II were published [JQSRT 344 (2025) 109512 and 346 (2025) 109583]. In the ADNDT-paper, experimental <em>A</em>-values of 349 levels are given. For the majority of the levels the semi-empirically determined <em>A</em>-values agree well with the experimental ones, but for 28 levels a conspicuous deviation can be noticed. In the present work we tried to clarify these discrepancies. For 14 of these 28 levels revised <em>A</em>-values are given. For the remaining 14 levels the previously published experimental values were retained.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109852"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Scattering-physics-constrained neural network framework for retrieving dust microphysical properties from scattering matrix measurements 从散射矩阵测量中提取粉尘微物理特性的散射物理约束神经网络框架

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-02-04 DOI: 10.1016/j.jqsrt.2026.109859

Yue Xi, Lei Bi

Inverting light-scattering data to retrieve the microphysical properties of irregular particles like dust is a classic, ill-posed challenge. This study presents a scattering-physics-constrained deep learning framework that overcomes this by directly and robustly inferring dust properties, including refractive index, size distribution, and shape related parameters, from multi-angle scattering matrix measurements. Our approach synergizes a particle-size-comprehensive forward simulator for super-spheroids with a custom loss function that embeds physical constraints. By unifying the invariant imbedding T-matrix, improved geometric optics, and deep neural network methods, the simulator seamlessly bridges optical properties across all particle sizes. Validated on experimental data, the developed framework provides an efficient and accurate approach for retrieving dust aerosol microphysics.

利用光散射数据反演不规则粒子（如尘埃）的微物理特性是一个经典的、不适定的挑战。本研究提出了一个散射物理约束的深度学习框架，通过直接和可靠地推断灰尘特性，包括折射率、尺寸分布和形状相关参数，从多角度散射矩阵测量中克服了这一问题。我们的方法将一个粒径综合的超球体正演模拟器与嵌入物理约束的自定义损失函数协同。通过统一不变嵌入t矩阵，改进的几何光学和深度神经网络方法，模拟器无缝地跨越所有粒径的光学特性。实验数据验证了该框架的有效性和准确性。

引用次数: 0

Near field heat transfer in heterostructure with twisted bilayer graphene grating/hBN 扭曲双层石墨烯光栅/hBN异质结构中的近场传热

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.jqsrt.2026.109861

Zhiguo Xu, Jingxiang Wang

Near-field heat transfer is enhanced by polariton hybridization in various materials. But the hybrid effect mechanism of anisotropic polaritons between multilayer graphene grating structures and hyperbolic materials is not clear. This study focuses on the near-field heat transfer between bilayer graphene grating/hBN heterostructure. The graphene grating rotation angle effect on near-field radiative heat transfer modulation is studied. The hBN film thickness effect on near-field radiative heat transfer modulation is investigated. The polariton hybridization in heterostructure changes near-field radiative heat transfer. With increasing hBN film thickness, the hybrid polariton topological structure undergoes the transition from hyperbolic to elliptical. Upon reaching a certain rotation angle, the topological transition of the hybrid polarization leads to a considerable increase in spectral heat transfer coefficient.

在各种材料中，极化子杂化增强了近场传热。但多层石墨烯光栅结构与双曲型材料之间各向异性极化的杂化效应机理尚不清楚。本文主要研究了双层石墨烯光栅/hBN异质结构之间的近场传热。研究了石墨烯光栅旋转角度对近场辐射换热调制的影响。研究了hBN膜厚度对近场辐射换热调制的影响。异质结构中的极化子杂化改变了近场辐射传热。随着hBN膜厚度的增加，杂化极化子拓扑结构由双曲型向椭圆型转变。在达到一定的旋转角度后，杂化极化的拓扑跃迁导致光谱传热系数显著增加。

引用次数: 0

An assigned room temperature line list for H216O h16o的指定室温线表

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-01-23 DOI: 10.1016/j.jqsrt.2026.109833

Nikolai F. Zobov , Irina I. Mizus , Roman I. Ovsyannikov , Mikhail A. Rogov , Jonathan Tennyson , Marco Pezzella , Sergei N. Yurchenko , Robert R. Gamache , Oleg L. Polyansky

Water line list UCLH2O296 for HITRAN database has been calculated using the new global composite potential energy surface, named PES40K, obtained similarly as POKAZATEL PES by improving 246 polynomial coefficients. Nuclear motion calculations were performed using DVR3D in Radau coordinates.The PES optimization procedure was based on a method proposed by Yurchenko et al. which optimizes simultaneously with respect to both empirical energy levels and ab initio energies. Transition Intensities for the UCLH2O296 line list were computed using the ab initio CKAPTEN DMS of Conway et al. Our calculation gave 477 395 transitions up to 44500 cm⁻¹ involving 241 234 states with

J

\leq

26. To label the energy levels with rovibrational quantum numbers

J

,

K_{a}

,

K_{c}

,

v_{1}

,

v_{2}

, and

v_{3}

, a complex procedure as a combination of 5 methods ((A) Wavefunction contribution, (B) Nodes counting, (C) Modified Hose–Taylor method, (D) Labeling merging and correction, (E) Correction by

E (K_{a})

dependencies) is developed and applied to a line list. Vibrational labeling using the Wavefunction contribution method (TROVE program) is more accurate, while rotational labeling is more accurate using the modified Hose–Taylor method. At total of 92 035 levels are now labeled by

K_{a}

,

K_{c}

and

v_{2}

quantum numbers, and 48 440 of these 92 035 levels were labeled fully by

K_{a}

,

K_{c}

,

v_{1}

,

v_{2}

and

v_{3}

. Line shape coefficients are a result of a “diet” procedure. Comparisons with existing H

_{2}^{16}

O line lists are given.

利用与POKAZATEL PES相似的新的全球复合势能面PES40K，改进246个多项式系数，计算了HITRAN数据库的水线表UCLH2O296。核运动计算采用Radau坐标下的DVR3D进行。PES优化过程基于Yurchenko等人提出的方法，该方法同时针对经验能级和从头算能量进行优化。UCLH2O296系表的转变强度采用Conway等人的从头算CKAPTEN DMS计算。我们的计算得到了477 395个高达44500 cm−1的跃迁，涉及241 234个J≤26的态。为了用旋转振动量子数J， Ka, Kc, v1， v2和v3标记能级，开发了一个复杂的过程，作为5种方法((a)波函数贡献，(B)节点计数，(C)改进的hosl - taylor方法，(D)标记合并和校正，（E) E（Ka）依赖项校正）的组合，并应用于线列表。采用波函数贡献法（TROVE程序）的振动标记精度更高，而采用改进的Hose-Taylor方法的旋转标记精度更高。现在总共92035个能级被Ka、Kc和v2量子数标记，这92035个能级中的48440个被Ka、Kc、v1、v2和v3完全标记。线形系数是“节食”程序的结果。并与现有H216O线表进行了比较。

{"title":"An assigned room temperature line list for H216O","authors":"Nikolai F. Zobov , Irina I. Mizus , Roman I. Ovsyannikov , Mikhail A. Rogov , Jonathan Tennyson , Marco Pezzella , Sergei N. Yurchenko , Robert R. Gamache , Oleg L. Polyansky","doi":"10.1016/j.jqsrt.2026.109833","DOIUrl":"10.1016/j.jqsrt.2026.109833","url":null,"abstract":"<div><div>Water line list UCLH2O296 for HITRAN database has been calculated using the new global composite potential energy surface, named PES40K, obtained similarly as POKAZATEL PES by improving 246 polynomial coefficients. Nuclear motion calculations were performed using DVR3D in Radau coordinates.The PES optimization procedure was based on a method proposed by Yurchenko et al. which optimizes simultaneously with respect to both empirical energy levels and ab initio energies. Transition Intensities for the UCLH2O296 line list were computed using the ab initio CKAPTEN DMS of Conway et al. Our calculation gave 477 395 transitions up to 44500 cm<sup>−1</sup> involving 241 234 states with <span><math><mi>J</mi></math></span> <span><math><mo>≤</mo></math></span> 26. To label the energy levels with rovibrational quantum numbers <span><math><mi>J</mi></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>, and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>, a complex procedure as a combination of 5 methods ((A) Wavefunction contribution, (B) Nodes counting, (C) Modified Hose–Taylor method, (D) Labeling merging and correction, (E) Correction by <span><math><mrow><mi>E</mi><mrow><mo>(</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>)</mo></mrow></mrow></math></span> dependencies) is developed and applied to a line list. Vibrational labeling using the Wavefunction contribution method (TROVE program) is more accurate, while rotational labeling is more accurate using the modified Hose–Taylor method. At total of 92 035 levels are now labeled by <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> quantum numbers, and 48 440 of these 92 035 levels were labeled fully by <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>K</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>1</mn></mrow></msub></math></span>, <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span> and <span><math><msub><mrow><mi>v</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>. Line shape coefficients are a result of a “diet” procedure. Comparisons with existing H<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msup><mrow></mrow><mrow><mn>16</mn></mrow></msup></mrow></math></span>O line lists are given.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"354 ","pages":"Article 109833"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sensitivity of near-infrared bands to cloud phase: An assessment using dual-view satellite measurements 近红外波段对云相的灵敏度：使用双视点卫星测量的评估

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-01-21 DOI: 10.1016/j.jqsrt.2026.109837

Kameswara S. Vinjamuri , Marco Vountas , Vladimir Rozanov , Luca Lelli , Hartmut Boesch , John P. Burrows

Accurate cloud phase classification in the near-infrared is challenging due to the overlapping radiative properties of water, ice, and mixed-phase clouds. This study presents a new composite Phase Classification Index (PCI_NIR,DV) for near-infrared satellite measurements in a dual-viewing geometry. The index is defined as the product of two physically derived components: (1) a spectral ratio of top-of-atmosphere radiances at 1.61

μ m

and 2.25

μ m

, which exploits the differences in absorption between water and ice, and (2) a directional ratio of 0.87

μ m

radiances from oblique and nadir views, which are influenced by scattering. Theoretical simulations using the SCIATRAN radiative transfer model demonstrate that the PCI_NIR,DV effectively distinguishes between pure water and ice clouds, enabling mixed-phase clouds to be identified. Sensitivities are analyzed for ranges of particle sizes, ice fractions, and surface types. Theoretical results show that water clouds, excluding thin clouds over snow surfaces, exhibit high PCI_NIR,DV values (above 3.5), ice clouds yield low values (below 2.75), and intermediate values correspond to mixed-phase clouds. Validation of PCI_NIR,DV derived from the Sea and Land Surface Temperature Radiometer (SLSTR) dual-view observations (onboard Sentinel-3A) against CloudSat-CALIPSO phase classifications confirms its applicability, yielding 86% classification accuracy, including over 63% for mixed-phase clouds. The results demonstrate that PCI_NIR,DV provides a robust physical framework for dual-view satellite missions, which aim to measure the cloud phase.

由于水、冰和混合相云的重叠辐射特性，在近红外中精确的云相分类是具有挑战性的。本文提出了一种新的用于双视几何近红外卫星测量的复合相位分类指数（PCINIR，DV）。该指数定义为两个物理推导分量的乘积：(1)大气顶部辐射在1.61 μm和2.25 μm处的光谱比，利用了水和冰之间的吸收差异；(2)斜视和最低点辐射的方向比为0.87 μm，受散射的影响。利用SCIATRAN辐射传输模型进行的理论模拟表明，PCINIR，DV能够有效地区分纯水云和冰云，从而能够识别混合相云。灵敏度分析范围的颗粒大小，冰馏分，和表面类型。理论结果表明，水云（不包括雪面上的薄云）的PCINIR较高，DV值在3.5以上，冰云的DV值较低（低于2.75），中间值对应于混合相云。PCINIR，DV来自海陆表面温度辐射计（SLSTR）双视角观测（Sentinel-3A机载）与CloudSat-CALIPSO相位分类的验证证实了其适用性，分类精度为86%，其中混合相位云的分类精度超过63%。结果表明，PCINIR，DV为旨在测量云相的双视图卫星任务提供了强大的物理框架。

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引用次数: 0

Precision microwave spectroscopy in a Ku-band waveguide: The case study of the 12.2 GHz line of methanol ku波段波导中的精密微波光谱：甲醇的12.2 GHz线的案例研究

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-01-23 DOI: 10.1016/j.jqsrt.2026.109840

Simon Collignon , Brian Hays , Dimitri Lederer , Clément Lauzin

Accurate rest frequencies of torsion–rotation transitions of methanol in the centimeter wave are critical to challenge the standard model through probing hypothetical variation of fundamental constants over space and time. Even though microwave Fourier transform (FTMW) spectroscopy is a very mature technique, it fails to provide uncertainties below the kHz level and the characterization of these uncertainties remains scarce. Here, we employ a new FTMW spectrometer to measure and analyze the free induction decay (FID) signal of the 12.2 GHz torsion–rotation transition of methanol in the time domain. We discuss the systematic effects that induce a shift on the line center and quantify the associated corrections and uncertainties that pertain to the frequency estimate. The transition frequency was determined to be

12, 178, 596, 106 \pm {(12)}_{stat} \pm {(243)}_{sys} Hz

. This work not only provides a reference to further constrain the limit on hypothetical variation of the proton-to-electron mass ratio, but also compiles the many systematic effects that must be accounted for in general to accurately quantify the uncertainty of the frequency estimated from FID signals.

通过探测基本常数随空间和时间的假设变化，甲醇在毫米波中扭转-旋转转变的准确静止频率对挑战标准模型至关重要。尽管微波傅立叶变换（FTMW）光谱是一种非常成熟的技术，但它无法提供kHz以下的不确定度，并且这些不确定度的表征仍然很少。本文采用一种新型的FTMW光谱仪对甲醇的12.2 GHz扭转跃迁的自由感应衰减（FID）信号进行了时域测量和分析。我们讨论了引起线中心移位的系统效应，并量化了与频率估计有关的相关修正和不确定性。跃迁频率为12,178,596,106±（12）stat±（243）sysHz。这项工作不仅为进一步限制质子电子质量比的假设变化提供了参考，而且还编制了许多必须考虑的系统效应，以准确量化FID信号估计频率的不确定性。

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引用次数: 0

Rotational investigation of Biarylic Thienyl Pyridines and their Monohydrates: The role of the S···N intramolecular interaction 二芳基噻吩吡啶及其单水合物的旋转研究：S···N分子内相互作用的作用

IF 1.9 3区物理与天体物理 Q2 OPTICS

Journal of Quantitative Spectroscopy & Radiative Transfer

Pub Date : 2026-04-01 Epub Date: 2026-02-03 DOI: 10.1016/j.jqsrt.2026.109857

Domingo Heras , Wenqin Li , Ibon Alkorta , Ruth Pinacho , Lourdes Enríquez , J. Emiliano Rubio , Cristóbal Pérez , Alberto Lesarri

We used jet-cooled broadband rotational spectroscopy and quantum mechanical calculations to study the potential energy surface, molecular structure and intra- and intermolecular interactions of the biarylic thienyl pyridines of 2-(2-thienyl)pyridine and 2-(2-pyridyl)benzothiophene and their monohydrates. Two isomers of the bare molecules were identified in the gas phase, characterized by planar structures and zusammen (Z) or entgegen (E) orientations around the ring junction. A single Z-isomer was observed for both monohydrates, primary stabilized by a hydroxyl-to-nitrogen (O-H···N) hydrogen bond and secondary C-H···O interactions. The computational study included D3 dispersion-corrected hybrid (B3LYP) and double hybrid (B2PLYP) density functional methods, with additional calculations at the RI-MP2 and DLPNO-CCSD(T) levels. NBO calculations examined the donor-acceptor hyperconjugative effects involving the nitrogen and sulfur atoms, suggesting that their participation in the larger stability of the Z form is not decisive and may involve other intramolecular interactions. In particular, examination of the electronic density shifts (EDS) further suggests that non-covalent N···S chalcogen interactions partially contribute to the preference for the Z conformation.

利用射流冷却宽带旋转光谱和量子力学计算研究了2-（2-噻吩）吡啶和2-（2-吡啶）苯并噻吩及其一水合物的二芳基噻吩类化合物的势能面、分子结构和分子间相互作用。在气相中发现了裸分子的两种异构体，其特征是平面结构和环结周围的zusammen (Z)或engegen (E)取向。这两种一水合物均有一个单一的z -异构体，一级由羟基-氮（O- h··N）氢键稳定，二级由C-H··O相互作用稳定。计算研究包括D3色散校正杂交（B3LYP）和双杂交（B2PLYP）密度泛函方法，并在RI-MP2和DLPNO-CCSD(T)水平上进行额外计算。NBO计算检查了涉及氮原子和硫原子的供体-受体超共轭效应，表明它们对Z型的较大稳定性的参与不是决定性的，可能涉及其他分子内相互作用。特别是，电子密度位移（EDS）的研究进一步表明，非共价N···S硫相互作用部分促成了对Z构象的偏好。

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