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1. The Metallicity–Electron Temperature Relationship in H ii Regions

   https://doi.org/10.3847/1538-4357/ad2458  

   Balser, Dana S; Wenger, Trey V (March 2024, The Astrophysical Journal)

   Hiiregion heavy-element abundances throughout the Galactic disk provide important constraints to theories of the formation and evolution of the Milky Way. In LTE, radio recombination line (RRL) emission and free–free continuum emission are accurate extinction-free tracers of the Hiiregion electron temperature. Since metals act as coolants in Hiiregions via the emission of collisionally excited lines, the electron temperature is a proxy for metallicity. Shaver et al. found a linear relationship between metallicity and electron temperature with little scatter. Here we use CLOUDY Hiiregion simulations to (1) investigate the accuracy of using RRLs to measure the electron temperature and (2) explore the metallicity–electron temperature relationship. We model 135 Hiiregions with different ionizing radiation fields, densities, and metallicities. We find that electron temperatures derived under the assumption of LTE are about 20% systematically higher owing to non-LTE effects, but overall LTE is a good assumption for centimeter-wavelength RRLs. Our CLOUDY simulations are consistent with the Shaver et al. metallicity–electron temperature relationship, but there is significant scatter since earlier spectral types or higher electron densities yield higher electron temperatures. Using RRLs to derive electron temperatures assuming LTE yields errors in the predicted metallicity as large as 10%. We derive correction factors for log(O/H) + 12 in each CLOUDY simulation. For lower metallicities the correction factor depends primarily on the spectral type of the ionizing star and ranges from 0.95 to 1.10, whereas for higher metallicities the correction factor depends on the density and is between 0.97 and 1.05. 

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2. The 2023 Release of Cloudy

   Chatzikos, Marios; Bianchi, Stefano; Camilloni, F; Chakraborty, Priyanka; Gunasekera, Chamani M; Guzman, Francisco; Milby, Jonathan S; Sarkar, Arnab; Shaw, Gargi; van_Hoof, Peter A_M; et al (October 2023, Revista mexicana de astronomía y astrofísica)

   We describe the 2023 release of the spectral synthesis code Cloudy. Since the previous major release, migrations of our online services motivated us to adopt git as our version control system. This change alone led us to adopt an annual release scheme, accompanied by a short release paper, the present being the inaugural. Significant changes to our atomic and molecular data have improved the accuracy of Cloudy predictions: we have upgraded our instance of the Chianti database from version 7 to 10; our H- and He-like collisional rates to improved theoretical values; our molecular data to the most recent LAMDA database, and several chemical reaction rates to their most recent UDfA and KiDA values. Finally, we describe our progress on upgrading Cloudy's capabilities to meet the requirements of the X-ray microcalorimeters aboard the upcoming XRISM and Athena missions, and outline future developments that will make Cloudy of use to the X-ray community. 

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3. Self-Cleaning Highly Porous TiO2 Coating Designed by Swelling-Assisted Sequential Infiltration Synthesis (SIS) of a Block Copolymer Template

   https://doi.org/10.3390/polym16030308  

   Omotosho, Khalil D.; Gurung, Vasanta; Banerjee, Progna; Shevchenko, Elena V.; Berman, Diana (February 2024, Polymers)

   Photocatalytic self-cleaning coatings with a high surface area are important for a wide range of applications, including optical coatings, solar panels, mirrors, etc. Here, we designed a highly porous TiO2 coating with photoinduced self-cleaning characteristics and very high hydrophilicity. This was achieved using the swelling-assisted sequential infiltration synthesis (SIS) of a block copolymer (BCP) template, which was followed by polymer removal via oxidative thermal annealing. The quartz crystal microbalance (QCM) was employed to optimize the infiltration process by estimating the mass of material infiltrated into the polymer template as a function of the number of SIS cycles. This adopted swelling-assisted SIS approach resulted in a smooth uniform TiO2 film with an interconnected network of pores. The synthesized film exhibited good crystallinity in the anatase phase. The resulting nanoporous TiO2 coatings were tested for their functional characteristics. Exposure to UV irradiation for 1 h induced an improvement in the hydrophilicity of coatings with wetting angle reducing to unmeasurable values upon contact with water droplets. Furthermore, their self-cleaning characteristics were tested by measuring the photocatalytic degradation of methylene blue (MB). The synthesized porous TiO2 nanostructures displayed promising photocatalytic activity, demonstrating the degradation of approximately 92% of MB after 180 min under ultraviolet (UV) light irradiation. Thus, the level of performance was comparable to the photoactivity of commercial anatase TiO2 nanoparticles of the same quantity. Our results highlight a new robust approach for designing hydrophilic self-cleaning coatings with controlled porosity and composition. 

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4. Self-consistent grain depletions and abundances I: the Orion Nebula as a test case

   https://doi.org/10.1093/mnras/stac022  

   Gunasekera, Chamani M.; Ji, Xihan; Chatzikos, Marios; Yan, Renbin; Ferland, Gary (January 2022, Monthly Notices of the Royal Astronomical Society)

   ABSTRACT Atomic species in the interstellar medium transition out of their gas phase mainly by depletion on to dust. In this study, we examine if there is any change to the spectral-line ratio predictions from a photoionization model of the Orion H ii region when the degree of dust depletions is altered according to the most recently published model. We use equations and parameters published by previous works, in order to streamline the calculation of depleted abundances within cloudy. Our aim is for cloudy users to be able to vary the level of depletion using a single parameter in the input file. This makes it possible to explore predictions for a large range of depletions more efficiently. Finally, we discuss the results obtained for a model of the Orion Nebula when the degree of depletions are manipulated in this way. We found that the intensity of line ratios are significantly affected by depletions on to dust grains. Further, we found that adjusting dust abundances along with depletion affects the structure and the overall temperature of the H+ layer across the H ii region. 

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5. Chemical dynamics study on the gas-phase reaction of the D1-silylidyne radical (SiD; X ² Π) with deuterium sulfide (D ₂ S) and hydrogen sulfide (H ₂ S)

   https://doi.org/10.1039/d1cp01629f  

   Goettl, Shane J.; Doddipatla, Srinivas; Yang, Zhenghai; He, Chao; Kaiser, Ralf I.; Silva, Mateus X.; Galvão, Breno R.; Millar, Tom J. (June 2021, Physical Chemistry Chemical Physics)

   The reactions of the D1-silylidyne radical (SiD; X 2 Π) with deuterium sulfide (D 2 S; X 1 A 1 ) and hydrogen sulfide (H 2 S; X 1 A 1 ) were conducted utilizing a crossed molecular beams machine under single collision conditions. The experimental work was carried out in conjunction with electronic structure calculations. The elementary reaction commences with a barrierless addition of the D1-silylidyne radical to one of the non-bonding electron pairs of the sulfur atom of hydrogen (deuterium) sulfide followed by possible bond rotation isomerization and multiple atomic hydrogen (deuterium) migrations. Unimolecular decomposition of the reaction intermediates lead eventually to the D1-thiosilaformyl radical (DSiS) (p1) and D2-silanethione (D 2 SiS) (p3) via molecular and atomic deuterium loss channels (SiD–D 2 S system) along with the D1-thiosilaformyl radical (DSiS) (p1) and D1-silanethione (HDSiS) (p3) through molecular and atomic hydrogen ejection (SiD–H 2 S system) via indirect scattering dynamics in barrierless and overall exoergic reactions. Our study provides a look into the complex dynamics of the silicon and sulfur chemistries involving multiple deuterium/hydrogen shifts and tight exit transition states, as well as insight into silicon- and sulfur-containing molecule formation pathways in deep space. Although neither of the non-deuterated species – the thiosilaformyl radical (HSiS) and silanethione (H 2 SiS) – have been observed in the interstellar medium (ISM) thus far, astrochemical models presented here predict relative abundances in the Orion Kleinmann-Low nebula to be sufficiently high enough for detection. 

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