Journal of Quantitative Spectroscopy & Radiative Transfer最新文献

{"title":"Analysis of the radiative corrections and dynamic extensions to the local field in the effective refractive index of particle suspensions","authors":"Omar Vázquez-Estrada ,&nbsp;Augusto García-Valenzuela ,&nbsp;Anays Acevedo-Barrera ,&nbsp;Rubén G. Barrera","doi":"10.1016/j.jqsrt.2024.109262","DOIUrl":"10.1016/j.jqsrt.2024.109262","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"331 ","pages":"Article 109262"},"PeriodicalIF":2.3,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142696423","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 mixing rule for imaginary parts of refractive indices of aerosols or colloids in the Rayleigh regime","authors":"Hans Moosmüller ,&nbsp;Justin B. Maughan ,&nbsp;Prakash Gautam ,&nbsp;Christopher M. Sorensen","doi":"10.1016/j.jqsrt.2024.109254","DOIUrl":"10.1016/j.jqsrt.2024.109254","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"331 ","pages":"Article 109254"},"PeriodicalIF":2.3,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699490","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}

{"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}

{"title":"LiDB: Database of atomic radiative lifetimes for plasma processes","authors":"Alec Owens ,&nbsp;Tingting Chen ,&nbsp;Christian Hill ,&nbsp;Sebastian Mohr ,&nbsp;Jonathan Tennyson","doi":"10.1016/j.jqsrt.2024.109242","DOIUrl":"10.1016/j.jqsrt.2024.109242","url":null,"abstract":"<div><div>LiDB is a database of molecular radiative lifetimes (Owens et al., 2023), created to aid in the modelling of radiative effects in low-temperature plasmas. Here, we report the addition of atomic radiative lifetimes to LiDB. Datasets are generated for neutral and singly-charged atomic species based on energy levels, transitions, and transition probabilities extracted from the National Institute of Standards and Technology (NIST) Atomic Spectra Database (ASD). The main data output of LiDB is radiative lifetimes of atomic states defined uniquely by atomic term symbols and electronic configurations. The effects of the total angular momentum quantum number <span><math><mi>J</mi></math></span> on the lifetimes are averaged over using an atomic state lumping procedure. LiDB also provides partial lifetimes which yield information on the dominant radiative decay channels from each state. Datasets are available for 35 neutral and 19 singly-charged atoms with new species to be added in the future. LiDB is freely available at <span><span>www.exomol.com/lidb</span><svg><path></path></svg></span> where users can dynamically view atomic and molecular datasets or use an application programming interface (API) to request data.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109242"},"PeriodicalIF":2.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661233","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}

{"title":"Stark broadening of Sn II spectral lines","authors":"Milan S. Dimitrijević ,&nbsp;Magdalena D. Christova ,&nbsp;Cristina Yubero ,&nbsp;Sylvie Sahal-Bréchot","doi":"10.1016/j.jqsrt.2024.109241","DOIUrl":"10.1016/j.jqsrt.2024.109241","url":null,"abstract":"<div><div>Our objective is to provide reliable Stark broadening data for Sn II spectral lines needed for astrophysics, plasma physics, fusion research, and different plasmas in laboratory and technology. We used the semiclassical perturbation method for the calculation of Stark broadening parameters, full widths at half intensity maximum and shifts for 44 spectral lines of singly charged tin ion (Sn II), for collisions with electrons and protons. The obtained results have been compared with the existing experimental and theoretical results and used to demonstrate the influence of Stark broadening mechanism on spectral lines of Sn II in stellar atmospheres.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109241"},"PeriodicalIF":2.3,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661232","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":"Using hybrid deep learning to predict spectral responses of quantum dot-embedded nanoporous thin-film solar cells","authors":"Farhin Tabassum ,&nbsp;George-Rafael Domenikos ,&nbsp;Shima Hajimirza","doi":"10.1016/j.jqsrt.2024.109258","DOIUrl":"10.1016/j.jqsrt.2024.109258","url":null,"abstract":"<div><div>In this study, we propose an innovative design for nanoporous Si thin film (NPTF) solar cell, seamlessly integrated with semiconducting (<em>CdSe</em>)<em>ZnS</em> Quantum Dots (QDs), without the need for additional metal-dielectric interfaces to attain plasmonic like effects. The intricate network of randomized nano-scaled pores within thin film creates similar enhancement, complemented by QDs inducing excitonic resonances, and amplifying localized electromagnetic field density. To evaluate the spectral responses of the structure we use a supervised trained surrogate model. To train the model, we generate ground truth datasets by solving Maxwell's equations in the design domain and, subsequently, applying charge carrier dynamics model to evaluate the external quantum efficiency (EQE). To predict the spectral response for this stochastic design with randomized pore and QD positions, we feed the ground truth data to a customized Hybrid Deep Learning (HDL) model through <em>in-vitro</em> geometric features fused with <em>dynamic</em> features of QDs. The dynamic features are extracted using an <em>electron dynamics</em> (ED) study. We then evaluate the prediction accuracy of our HDL model. Results show that our designed model can predict absorptivity with an accuracy of <em>R</em>² &gt;  0.96, and EQE with an accuracy of <em>R</em>² &gt;  0.98. This investigation highlights the potential of coupling nanoporous thin film solar cells with QDs, an observed localized enhancement phenomenon, and HDL model to achieve high-performance thin-film solar cells, characterized by improved external quantum efficiency without using metal-dielectric interfaces.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109258"},"PeriodicalIF":2.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661234","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":"Size-dependent optical properties and thermal response of Fe/Co/Ni@Au and Fe/Co/Ni@Ag core-shell nanospheres","authors":"Kailash,&nbsp;SS Verma","doi":"10.1016/j.jqsrt.2024.109251","DOIUrl":"10.1016/j.jqsrt.2024.109251","url":null,"abstract":"<div><div>In this work, Mie theory is employed to study the opto-thermal response of magneto plasmonic Fe/Co/Ni@Au and Fe/Co/Ni@Ag core-shell nanostructures of different sizes in the presence of dielectric media (i.e., water) is investigated numerically. The optical and thermal characteristics from the Fe, Co, and Ni as core material with noble metal Au and Ag as coating (shell) material are susceptible to being well-tuned by controlling the dimensions of both core and shell, based on the research being conducted at the moment. The SPR wavelength spectra of magnetic core Fe /Co /Ni (radii ranging from 10–40 nm) with Au and Ag coating (fixed shell thickness of 5, 10, and 15 nm), nanostructures are tuned from 231–528 nm and 364–420 nm, respectively. The maximum temperature obtained near the surface of Fe/Co/Ni@Au and Fe/Co/Ni@Ag nanospheres with the optimized size is 2.09℃ / 2.09 ℃ / 2.23 ℃ and 2.30 ℃ / 2.33 ℃ / 2.33 ℃, respectively. It can be observed that the surface plasmon resonance (SPR) is located in the vicinity of the ultraviolet (UV) and infrared (IR) domains of the electromagnetic (EM) spectra. The temperature rise noticed in the nanoparticle (NP) has been attributed to enhanced absorbance efficiency.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109251"},"PeriodicalIF":2.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661290","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":"Calculation of collisional line-broadening and shifting of acetylene using Complex Robert–Bonamy–Ma approach","authors":"Andrei Sokolov ,&nbsp;Sergei N. Yurchenko ,&nbsp;Jonathan Tennyson ,&nbsp;Robert R. Gamache ,&nbsp;Bastien Vispoel","doi":"10.1016/j.jqsrt.2024.109225","DOIUrl":"10.1016/j.jqsrt.2024.109225","url":null,"abstract":"<div><div>A comprehensive semi-classical study of the collisional line broadening and shift coefficients of C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> by several key perturbers (H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, He, N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, CO, and CO₂) for astronomical applications using the Complex Robert–Bonamy–Ma (CRBM) framework is presented. Following the CRBM computational protocol, the intermolecular interaction potentials are constructed from atom–atom and electrostatic interactions, and then fitted to reproduce experimental room-temperature line-broadening parameters taken from the literature. In total, 657 experimental values are used in the fitting. The empirical potentials are then used to predict line broadening coefficients over a wide temperature range. Reference collisional line widths <span><math><msub><mrow><mi>γ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> and temperature exponents <span><math><mi>n</mi></math></span> for the commonly used single-power law are produced, as well as a set of parameters for the double-power law, which better reproduces the temperature dependence of theoretical predictions. The vibrational dependence of the line widths is studied using a new <em>ab initio</em> isotropic polarizability surface of C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and is found to be negligible. The computed line broadening parameters are found to agree well with the experimental data, while the modelling of line shifts of HCCH is not satisfactory when compared to the experiment. The new line broadening data of C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> with the <span><math><mi>J</mi></math></span> (or <span><math><mi>m</mi></math></span>) dependence have been used to populate the ExoMol database <span><span>www.exomol.com</span><svg><path></path></svg></span> as part of the ExoMol pressure-broadening diet and can be used to model opacities of atmosphere of (extrasolar) planets. The CRBM methodology tested here on C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> can be used for other similar (closed-shell) systems in ExoMol that are important for exoplanetary atmospheric studies.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109225"},"PeriodicalIF":2.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661296","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}

{"title":"The electronic spectra of trifluoroacetic acid and chlorodifluoroacetic acid in the 4.5 – 10.8 eV photon energy region","authors":"P.S. Puppi ,&nbsp;A. Souza Barbosa ,&nbsp;N.C. Jones ,&nbsp;S.V. Hoffmann ,&nbsp;U.S. Akther ,&nbsp;N.J. Mason ,&nbsp;P. Limão-Vieira","doi":"10.1016/j.jqsrt.2024.109257","DOIUrl":"10.1016/j.jqsrt.2024.109257","url":null,"abstract":"<div><div>Synchrotron radiation has been used to record for the first time absolute vacuum ultraviolet photoabsorption cross-sections of trifluoroacetic acid (TFA) and chlorodifluoroacetic acid (CDFA) in the 4.5–10.8 eV energy range. In order to further our knowledge of the major electronic transitions and thus help interpret the photoabsorption data, theoretical calculations using time-dependent density functional theory (TD-DFT) level have been performed. These calculations have provided important information on the nature of the excited electronic states which have been assigned to valence, mixed valence-Rydberg and Rydberg transitions. Due to the lack of any information about CDFA ionic states, we also provide Equation-of-Motion Coupled-Cluster Single and Doubles (EOM-CCSD) vertical ionisation energies. Photolysis lifetimes in the Earth's atmosphere for both chemical compounds have also been estimated from the absolute photoabsorption cross-section data.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109257"},"PeriodicalIF":2.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661294","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}

{"title":"Measurement of circular intensity differential scattering (CIDS) from single optically trapped biological particles","authors":"Haifa Alali ,&nbsp;Yong-Le Pan ,&nbsp;Aimable Kalume ,&nbsp;Yongxiang Hu ,&nbsp;Yehor Surkov ,&nbsp;Yuriy Shkuratov ,&nbsp;Gorden Videen ,&nbsp;Chuji Wang","doi":"10.1016/j.jqsrt.2024.109244","DOIUrl":"10.1016/j.jqsrt.2024.109244","url":null,"abstract":"<div><div>The circular intensity differential scattering (CIDS), which is the normalized Mueller matrix element -S₁₄/S₁₁, has been measured from single biological particles as a function of scattering angle. CIDS is valuable for its potential in detecting chiral particles that may include the helical structures of DNA or RNA molecules in biological samples, and as such is a potential method for detecting biological particles. Optical trapping is employed to levitate single particles within a custom-designed elliptical reflector for CIDS measurements. The advantage of optical levitation in light-scattering measurements is that single particles can be suspended in air with sufficient working distance to prevent interference from the suspending apparatus. To measure the phase function, the reflector is used to collect the angle-dependent scattering signals. We demonstrated that we can obtain two-dimensional angular optical scattering (TAOS) patterns that cover a wide angular range from single levitated particles. These TAOS patterns are generated using 532 nm illumination of left-handed and right-handed circular polarizations and recorded from trapped single particles (silica, English Oak, Ragweed, Mulberry, Glycine, and <span>l</span>-Aspartic acid).</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"330 ","pages":"Article 109244"},"PeriodicalIF":2.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661292","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}