Journal of Quantitative Spectroscopy & Radiative Transfer最新文献

{"title":"Graph-enhanced residual attention networks for high-resolution reconstruction in VSHDOM","authors":"Qianwen Wang,&nbsp;Sixu Pu,&nbsp;Ruoxi Peng,&nbsp;Biao Zhang,&nbsp;Jian Li,&nbsp;Chuanlong Xu","doi":"10.1016/j.jqsrt.2025.109754","DOIUrl":"10.1016/j.jqsrt.2025.109754","url":null,"abstract":"<div><div>The Vector Spherical Harmonics Discrete Ordinate Method (VSHDOM) is an efficient deterministic solver for three-dimensional atmospheric radiative transfer. However, it still suffers from significant computational time and memory demands when applied to high spatial resolution cloud fields. Hence, this study proposes a super-resolution reconstruction approach based on a Graph-Enhanced Residual Attention Network (GRAN). The key innovation of this method lies in its ability to directly reconstruct high-resolution outputs from the low-resolution results produced by VSHDOM, thereby generating images that are comparable to high-resolution reference solutions while avoiding the heavy computational cost associated with explicitly solving the radiative transfer equation (RTE) at high resolutions. Results show that a 3D flux field with a resolution of 37 × 37 × 26 can be super-resolved to 370 × 370 × 26 in only 0.39 s, with a reconstruction error of &lt;3.7 %. In contrast, a single VSHDOM iteration under the same computational setup takes approximately 12 min. Beyond RTE flux reconstruction, GRAN is also capable of performing super-resolution reconstruction for synthesized Stokes images, achieving a maximum absolute error of &lt;0.01 compared to the benchmark.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"349 ","pages":"Article 109754"},"PeriodicalIF":1.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145536647","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":"The HITRAN2024 methane update","authors":"T. Bertin ,&nbsp;I.E. Gordon ,&nbsp;R.J. Hargreaves ,&nbsp;J. Tennyson ,&nbsp;S.N. Yurchenko ,&nbsp;K. Kefala ,&nbsp;V. Boudon ,&nbsp;C. Richard ,&nbsp;A.V. Nikitin ,&nbsp;V.G. Tyuterev ,&nbsp;M. Rey ,&nbsp;M. Birk ,&nbsp;G. Wagner ,&nbsp;K. Sung ,&nbsp;B.P. Coy ,&nbsp;W. Broussard ,&nbsp;G.C. Toon ,&nbsp;A.A. Rodina ,&nbsp;E. Starikova ,&nbsp;A. Campargue ,&nbsp;G.B. Rieker","doi":"10.1016/j.jqsrt.2025.109736","DOIUrl":"10.1016/j.jqsrt.2025.109736","url":null,"abstract":"<div><div>Spectroscopic parameters of methane from many different studies were gathered to improve the HITRAN database towards its 2024 version. After a validation process using high-resolution FTS and CRDS spectra, about 80,000 lines of the four most abundant isotopologues were replaced from the dyad to the triacontad regions. These changes amount to 51,000 transition wavenumbers, 18,000 line intensities, 33,000 pressure-broadening half-widths, and 3300 assignments. 44,000 new lines were added with 16,000 old lines removed, extending the database from 12,000 cm⁻¹ up to 14,000 cm⁻¹, and covering some gaps. A greater focus was brought on the pentad, octad, and tetradecad regions, targeted by several remote sensing instruments. In these regions, comparisons of spectral fits from multiple line lists were performed, taking only the parameters that provide best fit for each line. In the <span><math><msub><mrow><mi>ν</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span> band, in addition to replacing the previous values, speed-independent pressure broadening parameters of ¹²CH₄ were gathered and used to fit Padé-approximant functions. These functions then replaced any outdated experimental data in <span><math><msub><mrow><mi>ν</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>, missing data in the new lines, as well as the values that were determined to be outside their physical boundaries. The CH₃D broadening parameters were replaced in the same manner, for missing and low or high values, using a semi-empirical formula instead.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"349 ","pages":"Article 109736"},"PeriodicalIF":1.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145461886","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":"Emulating non-gray gas radiative heat transfer in combustion scenarios by machine learning method","authors":"Yujia Sun ,&nbsp;Chenxin Lin ,&nbsp;Shu Zheng","doi":"10.1016/j.jqsrt.2025.109735","DOIUrl":"10.1016/j.jqsrt.2025.109735","url":null,"abstract":"<div><div>Thermal radiation plays an important role in combustion systems due to its significant effect on the energy evolution. Radiation modeling in combustion simulations needs expensive computational resources due to high complexity of the radiative transfer equation and highly variations of the spectral radiative properties. Traditional numerical methods for the radiation modeling have many simplified and approximated models, but they are still suffering from the irreconcilable conflict between the accuracy and efficiency. This work investigates the capability of machine learning for predicting radiative heat transfer in combustion scenarios. Two machine learning models, UNet model and Fourier network operator (FNO) model are designed to learn radiative heat transfer directly from the temperature and concentrations fields. Their performances are tested for a turbulent diffusion flame. Results show that both UNet and FNO performs well for emulating the radiative heat source for the considered flame, with relative errors generally smaller than 0.3 %. The two models have similar accuracies. This study demonstrates the feasibility of using UNet and FNO models as surrogate model for non-gray gas radiative heat transfer in combustion system, but they need further investigations for more complex combustion scenarios.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"349 ","pages":"Article 109735"},"PeriodicalIF":1.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145435107","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":"First high-resolution spectral study of the far infrared fundamental OH- torsional band of ethyl alcohol (CH3CH2OH), using synchrotron radiation","authors":"Indranath Mukhopadhyay","doi":"10.1016/j.jqsrt.2025.109707","DOIUrl":"10.1016/j.jqsrt.2025.109707","url":null,"abstract":"<div><div>In this work, the high-resolution far infrared (FIR) and infrared (IR) spectrum of ethyl alcohol has been recorded in the range 50–1200 cm^-1, with an excellent signal-to-noise (S/N) ratio, using a synchrotron radiation-based Fourier transform spectrometer. This spectrum, along with the spectrum obtained earlier with a conventional Fourier transform spectrometer in the range 15–350 cm^-1, has been utilized to assign many ∆<em>K</em>=±1 transitions from the trans- or anti and gauche-states in the ground state to connect the lowest lying state (o₂) for the first excited O<img>H torsional vibrational band. Since the transitions originating from the trans- states are the strongest mode, the terminating state is termed trans (anti) State (o₂). However, this state has odd parity. In addition, many millimeter (MMW) wave transitions have been measured elsewhere and assigned. The assignments have been rigorously confirmed using several complementary methods. An expanded appendix (Appendix-1) of about 8000 accurate wavenumbers of assigned transitions in the millimeter (MMW), FIR, and IR regions has been prepared and is being submitted as a depository. The assignments allowed indirect energy differences between the trans- and gauche states in the ground state, which are not otherwise obtainable via dipole selection rules. The accurate wavenumbers should help detect ethanol in interstellar space, particularly using the IR telescopes, and for further studies on intricate interactions between the various vibrational modes and rotation. This is the first time high-resolution studies have been performed in the elusive excited torsional state of ethyl alcohol. The reported transition wavenumber should have an uncertainty of less than ±0.0002 cm^-1</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"349 ","pages":"Article 109707"},"PeriodicalIF":1.9,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145383148","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":"Evaluation of deterministic and stochastic methods for the subcritical linear Boltzmann equation: PN, double-PN and Monte Carlo frameworks","authors":"Frédéric Bernardin,&nbsp;Amine Ben Daoued,&nbsp;Pierre Duthon","doi":"10.1016/j.jqsrt.2025.109711","DOIUrl":"10.1016/j.jqsrt.2025.109711","url":null,"abstract":"<div><div>This article evaluates and compares deterministic and stochastic numerical methods for solving the Radiative Transfer Equation (RTE), with application to the modeling of light propagation in participating media such as fog—key challenges for automotive sensor performance in adverse weather. The study focuses on two deterministic frameworks: the 1D Double-PN method (DPN) and the 3D PN method under spherical symmetry with an isotropic point source. These are benchmarked against analytical solutions in isotropic and extreme scattering cases (purely forward/backward) to analyze convergence, numerical stability, and error behavior. In parallel, a probabilistic formulation of the RTE is introduced, and an explicit expression for the variance of the backward Monte Carlo method is derived, enabling rigorous assessment of stochastic simulations. Results show first-order convergence in space for the DPN method and convergence difficulties for the PN method for distances close to the point source and for strong forward or backward scattering. Furthermore, numerical simulations validate the analytical expressions of the backward Monte Carlo variances obtained in the 1D case under isotropic scattering. These findings provide essential tools for verifying Monte Carlo codes or other physically-based simulator, supporting virtual testing of autonomous driving systems under extreme weather conditions.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109711"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363891","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":"Quantitative infrared cross sections of vapor-phase perfluoroalkanoyl fluorides (C5 to C8)","authors":"Tracy J. Baker,&nbsp;Michael J. Wilhelm,&nbsp;Kendall D. Hughey,&nbsp;Kai-For Mo,&nbsp;Zoe M. Comstock,&nbsp;Timothy J. Johnson","doi":"10.1016/j.jqsrt.2025.109715","DOIUrl":"10.1016/j.jqsrt.2025.109715","url":null,"abstract":"<div><div>Quantitative infrared absorption cross sections for a series of four vapor-phase perfluoroalkanoyl fluorides at 50 °C are reported for the first time, namely the C5 to C8 homologues, perfluoropentanoyl fluoride (PFPeF), perfluorohexanoyl fluoride (PFHxF), perfluoroheptanoyl fluoride (PFHpF), and perfluorooctanoyl fluoride (PFOF). The integrated band strengths of the C-F bands centered near 1250 cm^-1 increase with chain length and represent some of the strongest infrared band strengths reported to date for any species, approximately 7 × 10^–3 (1/ppm-m) (2.7 × 10^–16 cm/molecule) for the perfluorooctanoyl fluoride. The perfluoroalkanoyl fluorides are also analyzed and the results interpreted via molecular modeling at the B3LYP/6–31G(d,p) level of theory. The DFT results revealed that while the data are indeed for pure species, the observed IR spectra need to be recognized as composite spectra of multiple conformers.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109715"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145396443","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":"Modeling raman scattering from combustion with PGOPHER","authors":"Joshua B. Sinrud ,&nbsp;Riley M. Jacobs ,&nbsp;Jeffrey C. Owrutsky ,&nbsp;Christopher B. Reuter","doi":"10.1016/j.jqsrt.2025.109698","DOIUrl":"10.1016/j.jqsrt.2025.109698","url":null,"abstract":"<div><div>Although spontaneous Raman scattering is a widely used diagnostic technique for various combustion environments, very few openly accessible models exist that are capable of extracting species concentration and temperatures. The objective of this work is to bridge the gap between Placzek’s polarizability Raman theory and a computational framework useful for implementation in a broad range of Raman combustion experiments. The model outlined in this work was developed in PGOPHER which provides flexibility for adaptation with different wavelengths and the addition of virtually any molecule. To validate the technique and model, Raman scattering measurements from H₂/air flames stabilized on a Hencken burner were compared to synthetic spectra generated with PGOPHER. The mole fractions extracted from PGOHER data are within 5% of Cantera predictions for diatomic species. H₂O mole fractions predicted by the synthetic spectra also displayed good agreement with experimental measurements up to 2000 K, after which predicted concentrations started to deviate from the measurement. Temperatures extracted for rich equivalence ratio H₂-air flames using H₂ rotational lines are within 7% of predicted temperatures. For conditions where H₂ lines cannot be detected, H₂O thermometry is proposed as an alternative technique which allows the retention of all species information in a single acquisition. Ultimately, this work establishes a robust spectroscopic model incorporated in a flexible computational framework for modeling gas-phase Raman scattering and can be applied to a broad range of combustion environments.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109698"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145325537","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":"Convergence of the Monte Carlo method in calculating the normal spectral albedo of optically thick snow and cloudy ice","authors":"Leonid A. Dombrovsky ,&nbsp;Jixun Sun ,&nbsp;Junming Zhao","doi":"10.1016/j.jqsrt.2025.109709","DOIUrl":"10.1016/j.jqsrt.2025.109709","url":null,"abstract":"<div><div>The Monte Carlo (MC) method is often used to obtain a benchmark numerical solution for radiative transfer problems that can also be solved using approximate methods. The present study is based on accurate analytical solutions for the spectral normal albedo of optically thick snow cover and light-scattering ice sheets. These analytical solutions are used to study the convergence of the MC simulation to the analytical solutions as the number of stochastic rays increases. This is a rare and unusual problem statement. One might expect that the numerical procedure would converge slowly in the visible spectral range, where the absorption of radiation by snow and cloudy ice is very low compared to scattering. This is a typical effect of the “scattering order problem” known in astrophysics. However, this does not apply to the integral characteristics of the radiation field, such as the normal-hemispherical reflectance (normal albedo) of scattering media. The calculations demonstrate good convergence of the Monte Carlo simulation to accurate values of the normal albedo in both the visible and infrared spectral ranges, which are important for solving geophysical problems. At the same time, a more sophisticated physical model based on differential approximations for the diffuse component of radiation intensity is preferable for both snow cover and cloudy ice layers. The results obtained are expected to be useful for selecting a method for radiative transfer calculations in diverse natural or artificial media of relatively strong scattering.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109709"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363889","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":"Prediction of electric and magnetic fields from spectral data using machine learning algorithms for Doppler-free saturation spectroscopy diagnostics","authors":"Boting Li ,&nbsp;E.H. Martin ,&nbsp;M. Churchill ,&nbsp;A. Diallo","doi":"10.1016/j.jqsrt.2025.109710","DOIUrl":"10.1016/j.jqsrt.2025.109710","url":null,"abstract":"<div><div>The prediction of electric and magnetic field amplitudes from atomic spectral data is critical for plasma control in fusion devices such as tokamaks. Conventional approaches that rely on physics-based models are computationally expensive and unsuitable for real-time applications. In this work, we develop and benchmark three machine learning algorithms—simulation-based inference (SBI), fully connected neural networks (FCNN), and histogram-based gradient boosting regression (GBR-Hist)—to infer field intensities directly from Doppler-free saturation spectroscopy (DFSS) spectra. Synthetic datasets of spectra were generated using the EZSSS code and evaluated both with and without added Poisson noise to mimic experimental conditions. We find that SBI achieves the highest accuracy and robustness, FCNN provides a strong balance of accuracy and computational efficiency for real-time applications, and GBR-Hist offers the fastest inference but is more sensitive to noise. These results demonstrate the potential of machine learning to accelerate DFSS analysis and enhance its utility for plasma diagnostics and control.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109710"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145363894","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":"Oxygen, nitrogen and air-broadening and shift coefficients in the ν2 band of CH3I at room temperature","authors":"S. Harbaoui ,&nbsp;I. Majdi ,&nbsp;J. Salem ,&nbsp;D. Ben Abdallah ,&nbsp;L. Manceron ,&nbsp;M. Rotger ,&nbsp;M. Hochlaf ,&nbsp;H. Aroui","doi":"10.1016/j.jqsrt.2025.109705","DOIUrl":"10.1016/j.jqsrt.2025.109705","url":null,"abstract":"<div><div>In this study, foreign-gas broadening and shift coefficients of CH₃I spectral lines in collision with N₂, O₂, and air were measured for ro-vibrational transitions in the ν₂ band using high-resolution Fourier Transform spectrometer at SOLEIL Synchrotron facility. The results were obtained by analyzing room temperature (T = 296 K) absorption spectra with a mono-spectrum non-linear least squares fitting of Voigt profile. The measured O₂-broadening coefficients range from 0.0554 to 0.1269 cm^–1atm^–1 with an average value of 0.0849 cm^-1atm^-1. Those with N₂ collider vary from 0.0556 to 0.1466 cm^-1atm^-1 with an average value of 0.0926 cm^-1atm^-1. Then, we deduced those with air. The CH₃I–air broadening coefficients are found to range from <span><math><mrow><mn>0.0599</mn></mrow></math></span> to <span><math><mrow><mn>0.1370</mn><mspace></mspace></mrow></math></span>cm^–1atm^–1. The measured shift coefficients are bipolar. They range from -0.0282 to 0.0309 cm^-1atm^-1, from -0.0299 to 0.0269 cm^-1atm^-1 and from -0.0268 to 0.0219 cm^-1atm^-1 for O₂, N₂ and air collisions, respectively. The average accuracies of the measured O₂-broadening and shift coefficients were estimated to be about 6.9% and 15.9 %, respectively; those of N₂ are estimated to be about 8.6 % and 19.9 %. The <em>J-</em> and <em>K</em>-rotational dependences of broadening coefficients have been observed and modeled using an empirical law reproducing the measured coefficients to within ∼7.4 %. The comparison of the measured data with values reported in the literature illustrates no vibrational effect in the broadening and shifts. The present results should be valuable for estimating the CH₃I abundance in the atmosphere, and for testing theoretical models predicting pressure broadening coefficients and collision induced shifts.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109705"},"PeriodicalIF":1.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145397965","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}