Journal of Quantitative Spectroscopy & Radiative Transfer最新文献

{"title":"Scattering-physics-constrained neural network framework for retrieving dust microphysical properties from scattering matrix measurements","authors":"Yue Xi,&nbsp;Lei Bi","doi":"10.1016/j.jqsrt.2026.109859","DOIUrl":"10.1016/j.jqsrt.2026.109859","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"354 ","pages":"Article 109859"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134656","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}

{"title":"Near field heat transfer in heterostructure with twisted bilayer graphene grating/hBN","authors":"Zhiguo Xu,&nbsp;Jingxiang Wang","doi":"10.1016/j.jqsrt.2026.109861","DOIUrl":"10.1016/j.jqsrt.2026.109861","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109861"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134657","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}

{"title":"An assigned room temperature line list for H216O","authors":"Nikolai F. Zobov ,&nbsp;Irina I. Mizus ,&nbsp;Roman I. Ovsyannikov ,&nbsp;Mikhail A. Rogov ,&nbsp;Jonathan Tennyson ,&nbsp;Marco Pezzella ,&nbsp;Sergei N. Yurchenko ,&nbsp;Robert R. Gamache ,&nbsp;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⁻¹ 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}

{"title":"Sensitivity of near-infrared bands to cloud phase: An assessment using dual-view satellite measurements","authors":"Kameswara S. Vinjamuri ,&nbsp;Marco Vountas ,&nbsp;Vladimir Rozanov ,&nbsp;Luca Lelli ,&nbsp;Hartmut Boesch ,&nbsp;John P. Burrows","doi":"10.1016/j.jqsrt.2026.109837","DOIUrl":"10.1016/j.jqsrt.2026.109837","url":null,"abstract":"<div><div>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 <span><math><mrow><mi>μ</mi><mi>m</mi></mrow></math></span> and 2.25 <span><math><mrow><mi>μ</mi><mi>m</mi></mrow></math></span>, which exploits the differences in absorption between water and ice, and (2) a directional ratio of 0.87 <span><math><mrow><mi>μ</mi><mi>m</mi></mrow></math></span> 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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109837"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146014833","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}

{"title":"Precision microwave spectroscopy in a Ku-band waveguide: The case study of the 12.2 GHz line of methanol","authors":"Simon Collignon ,&nbsp;Brian Hays ,&nbsp;Dimitri Lederer ,&nbsp;Clément Lauzin","doi":"10.1016/j.jqsrt.2026.109840","DOIUrl":"10.1016/j.jqsrt.2026.109840","url":null,"abstract":"<div><div>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 <span><math><mrow><mn>12</mn><mo>,</mo><mn>178</mn><mo>,</mo><mn>596</mn><mo>,</mo><mn>106</mn><mo>±</mo><msub><mrow><mrow><mo>(</mo><mn>12</mn><mo>)</mo></mrow></mrow><mrow><mi>stat</mi></mrow></msub><mo>±</mo><msub><mrow><mrow><mo>(</mo><mn>243</mn><mo>)</mo></mrow></mrow><mrow><mi>sys</mi></mrow></msub><mspace></mspace><mi>Hz</mi></mrow></math></span>. 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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109840"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033169","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}

{"title":"Rotational investigation of Biarylic Thienyl Pyridines and their Monohydrates: The role of the S···N intramolecular interaction","authors":"Domingo Heras ,&nbsp;Wenqin Li ,&nbsp;Ibon Alkorta ,&nbsp;Ruth Pinacho ,&nbsp;Lourdes Enríquez ,&nbsp;J. Emiliano Rubio ,&nbsp;Cristóbal Pérez ,&nbsp;Alberto Lesarri","doi":"10.1016/j.jqsrt.2026.109857","DOIUrl":"10.1016/j.jqsrt.2026.109857","url":null,"abstract":"<div><div>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 <em>zusammen</em> (<em>Z</em>) or <em>entgegen</em> (<em>E</em>) orientations around the ring junction. A single <em>Z</em>-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 <em>Z</em> 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 <em>Z</em> conformation.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109857"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110483","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}

{"title":"Scattering of plane electromagnetic wave by a circular cylinder near a uniaxial anisotropic plane interface","authors":"Huayong Zhang ,&nbsp;Zhenzhen Chen","doi":"10.1016/j.jqsrt.2026.109839","DOIUrl":"10.1016/j.jqsrt.2026.109839","url":null,"abstract":"<div><div>For an incident plane electromagnetic wave, its scattering by an infinitely long circular cylinder near a plane interface between free space and a uniaxial anisotropic medium is investigated. The electromagnetic fields within different regions are expressed as expansions in terms of appropriate rectangular or cylindrical vector wave functions, and the unknown expansion coefficients are determined by the continuous boundary conditions. To examine the coupling scattering effects involving the circular cylinder and the plane interface, the transformations of rectangular and cylindrical vector wave functions are applied. Normalized scattering widths and polarization states of the scattered fields are calculated, and the scattering features are discussed briefly.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109839"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033167","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}

{"title":"A combined laser spectroscopic and theoretical study on the electronic structure of platinum monoxide (PtO)","authors":"Jianhuang Lv ,&nbsp;Wenli Zou ,&nbsp;Xianhong Wang ,&nbsp;Shaobo Tian ,&nbsp;Kailong Ma ,&nbsp;Lei Zhang ,&nbsp;Xuexia Pang ,&nbsp;Jie Yang","doi":"10.1016/j.jqsrt.2026.109838","DOIUrl":"10.1016/j.jqsrt.2026.109838","url":null,"abstract":"<div><div>The laser-induced fluorescence (LIF) excitation spectra in the visible region of 16,800 – 23,800 cm^-1 and the dispersed fluorescence spectra of the gas-phase platinum monoxide (PtO) molecule have been investigated. Eight rotationally and isotopically resolved excitation bands are newly observed and assigned to the transitions from the ground <em>X</em> ³Σ^⁻₀₊ state to five excited electronic states. Two components of the ground state and an excited ¹Δ₂ state are distinguished in low-energy region. The rotational constants, band origins, and vibrational frequencies of all the observed states are obtained by rovibrational analysis. High-level <em>ab initio</em> calculations are performed on the <em>Λ-S</em> and Ω states below 30,000 cm^-1 and are used to identify the observed transitions. Notably, nine Ω = 0⁺ states are predicted by calculations, and their energy distributions are in agreement with the experimental results.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"353 ","pages":"Article 109838"},"PeriodicalIF":1.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146014457","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}

{"title":"Hyperfine structure investigation of spectral lines of the praseodymium atom in the visible spectral region","authors":"Günay Başar ,&nbsp;Gönül Başar ,&nbsp;L. Windholz ,&nbsp;G.H. Guthöhrlein","doi":"10.1016/j.jqsrt.2025.109799","DOIUrl":"10.1016/j.jqsrt.2025.109799","url":null,"abstract":"<div><div>26 new energy levels (7 of even, 19 of odd parity) of Pr I were discovered using laser induced fluorescence (LIF) spectroscopy. Values of the magnetic hyperfine interaction constants <em>A</em> of these levels are presented. 57 known but up to now unclassified lines could be classified as transitions to the new levels. Moreover, 77 lines which were never mentioned in the literature but could be identified in our FT spectra, are classified. Finally, 62 other lines could be detected either as excitation or fluorescence channels, but too weak to appear in the FT spectra. For some lines the classification given in the literature appeared to be erroneous.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"351 ","pages":"Article 109799"},"PeriodicalIF":1.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145823723","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}

{"title":"Inter-comparison of different order-scattering models for accurate sensing in dusty conditions","authors":"Safae Nejjari ,&nbsp;Amine Ben Daoued ,&nbsp;Frédéric Bernardin ,&nbsp;Christophe Debain ,&nbsp;Philippe Samuel Heritier","doi":"10.1016/j.jqsrt.2025.109760","DOIUrl":"10.1016/j.jqsrt.2025.109760","url":null,"abstract":"<div><div>One of the major challenges in smart farming is the dust suspension during operations. Optical sensors embedded in agricultural machines and robots become less effective under such conditions, which compromises the accuracy of measurements and consequently the decision-making process. This study represents a comparative analysis of light transmission models under different configurations, from the Beer–Lambert model to different order scattering models, to assess the effectiveness of each model in different scenarios. This comparison is based on the simulation of a transmissiometer system, operating in a homogeneous dusty medium, consisting of suspended mineral dust particles. The evaluation includes the quantification of relative errors between various models across different optical depth values, sensor fields of view, and source divergence angles. Single, Double, Triple, Quadruple, and Multiple Scattering models were also considered in the quantitative comparison, to identify the conditions under which each model provides sufficient accuracy. Additionally, the influence of different scattering phase functions was investigated. The results highlight that the choice of scattering phase function significantly affects the relative errors, especially at angles close to the main propagation axis. The goal of this classification is to determine scenarios where simplified models can be employed for real-time monitoring, as increasing the order of scattering significantly raises the computational cost, making them less suitable for such applications. This classification helps establish a trade-off between physical accuracy and computational efficiency.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"350 ","pages":"Article 109760"},"PeriodicalIF":1.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145567209","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}