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1. Designing multicomponent hydrides with potential high T _c superconductivity

   https://doi.org/10.1073/pnas.2413096121  

   Denchfield, Adam; Park, Hyowon; Hemley, Russell J (November 2024, Proceedings of the National Academy of Sciences)

   While hydrogen-rich materials have been demonstrated to exhibit high T_csuperconductivity at high pressures, there is an ongoing search for ternary, quaternary, and more chemically complex hydrides that achieve such high critical temperatures at much lower pressures. First-principles searches are impeded by the computational complexity of solving the Eliashberg equations for large, complex crystal structures. Here, we adopt a simplified approach using electronic indicators previously established to be correlated with superconductivity in hydrides. This is used to study complex hydride structures, which are predicted to exhibit promisingly high critical temperatures for superconductivity. In particular, we propose three classes of hydrides inspired by the Fm $\overline{3}$m RH ${}_3$structures that exhibit strong hydrogen network connectivity, as defined through the electron localization function. The first class [RH ${}_{11}$X ${}_3$Y] is based on a Pm $\overline{3}$m structure showing moderately high T_c, where the T_cestimate from electronic properties is compared with direct Eliashberg calculations and found to be surprisingly accurate. The second class of structures [(RH ${}_{11}$) ${}_2$X ${}_6$YZ] improves on this with promisingly high density of states with dominant hydrogen character at the Fermi energy, typically enhancing T_c. The third class [(R ${}^1$H ${}_{11}$)(R ${}^2$H ${}_{11}$)X ${}_6$YZ] improves the strong hydrogen network connectivity by introducing anisotropy in the hydrogen network through a specific doping pattern. These design principles and associated model structures provide flexibility to optimize both T_cand the structural stability of complex hydrides. 

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2. Stabilizing Ti ₃ C ₂ T _x MXene flakes in air by removing confined water

   https://doi.org/10.1073/pnas.2400084121  

   Fang, Hui; Thakur, Anupma; Zahmatkeshsaredorahi, Amirhossein; Fang, Zhenyao; Rad, Vahid; Shamsabadi, Ahmad A; Pereyra, Claudia; Soroush, Masoud; Rappe, Andrew M; Xu, Xiaoji G; et al (July 2024, Proceedings of the National Academy of Sciences)

   MXenes have demonstrated potential for various applications owing to their tunable surface chemistry and metallic conductivity. However, high temperatures can accelerate MXene film oxidation in air. Understanding the mechanisms of MXene oxidation at elevated temperatures, which is still limited, is critical in improving their thermal stability for high-temperature applications. Here, we demonstrate that Ti ${}_3$C ${}_2$T ${}_x$MXene monoflakes have exceptional thermal stability at temperatures up to 600 ${}^{°}$C in air, while multiflakes readily oxidize in air at 300 ${}^{°}$C. Density functional theory calculations indicate that confined water between Ti ${}_3$C ${}_2$T ${}_x$flakes has higher removal energy than surface water and can thus persist to higher temperatures, leading to oxidation. We demonstrate that the amount of confined water correlates with the degree of oxidation in stacked flakes. Confined water can be fully removed by vacuum annealing Ti ${}_3$C ${}_2$T ${}_x$films at 600 ${}^{°}$C, resulting in substantial stability improvement in multiflake films (can withstand 600 ${}^{°}$C in air). These findings provide fundamental insights into the kinetics of confined water and its role in Ti ${}_3$C ${}_2$T ${}_x$oxidation. This work enables the use of stable monoflake MXenes in high-temperature applications and provides guidelines for proper vacuum annealing of multiflake films to enhance their stability. 

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3. Validation of Elemental and Isotopic Abundances in Late-M Spectral Types with the Benchmark HIP 55507 AB System

   https://doi.org/10.3847/1538-4357/ad1243  

   Xuan, Jerry W.; Wang, Jason; Finnerty, Luke; Horstman, Katelyn; Grimm, Simon; Peck, Anne E.; Nielsen, Eric; Knutson, Heather A.; Mawet, Dimitri; Isaacson, Howard; et al (February 2024, The Astrophysical Journal)

   Abstract M dwarfs are common host stars to exoplanets but often lack atmospheric abundance measurements. Late-M dwarfs are also good analogs to the youngest substellar companions, which share similarT_eff∼ 2300–2800 K. We present atmospheric analyses for the M7.5 companion HIP 55507 B and its K6V primary star with Keck/KPIC high-resolution (R∼ 35,000)K-band spectroscopy. First, by including KPIC relative radial velocities between the primary and secondary in the orbit fit, we improve the dynamical mass precision by 60% and find $M_B={88.0}_{-3.2}^{+3.4}{M}_{\mathrm{Jup}}$, putting HIP 55507 B above the stellar–substellar boundary. We also find that HIP 55507 B orbits its K6V primary star with $a={38}_{-3}^{+4}$au ande= 0.40 ± 0.04. From atmospheric retrievals of HIP 55507 B, we measure [C/H] = 0.24 ± 0.13, [O/H] = 0.15 ± 0.13, and C/O = 0.67 ± 0.04. Moreover, we strongly detect¹³CO (7.8σsignificance) and tentatively detect ${\mathrm{H}}_2^{18}\mathrm{O}$(3.7σsignificance) in the companion’s atmosphere and measure ${}^{12}\mathrm{CO}{/}^{13}\mathrm{CO}={98}_{-22}^{+28}$and ${\mathrm{H}}_2^{16}\mathrm{O}/{\mathrm{H}}_2^{18}\mathrm{O}={240}_{-80}^{+145}$after accounting for systematic errors. From a simplified retrieval analysis of HIP 55507 A, we measure ${}^{12}\mathrm{CO}{/}^{13}\mathrm{CO}={79}_{-16}^{+21}$and ${\mathrm{C}}^{16}\mathrm{O}/{\mathrm{C}}^{18}\mathrm{O}={288}_{-70}^{+125}$for the primary star. These results demonstrate that HIP 55507 A and B have consistent¹²C/¹³C and¹⁶O/¹⁸O to the <1σlevel, as expected for a chemically homogeneous binary system. Given the similar flux ratios and separations between HIP 55507 AB and systems with young substellar companions, our results open the door to systematically measuring¹³CO and ${\mathrm{H}}_2^{18}\mathrm{O}$abundances in the atmospheres of substellar or even planetary-mass companions with similar spectral types. 

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4. Global reconstruction reduces the uncertainty of oceanic nitrous oxide emissions and reveals a vigorous seasonal cycle

   https://doi.org/10.1073/pnas.1921914117  

   Yang, Simon; Chang, Bonnie X.; Warner, Mark J.; Weber, Thomas S.; Bourbonnais, Annie M.; Santoro, Alyson E.; Kock, Annette; Sonnerup, Rolf E.; Bullister, John L.; Wilson, Samuel T.; et al (May 2020, Proceedings of the National Academy of Sciences)

   Assessment of the global budget of the greenhouse gas nitrous oxide ( ${\mathrm{N}}_2$O) is limited by poor knowledge of the oceanic ${\mathrm{N}}_2$O flux to the atmosphere, of which the magnitude, spatial distribution, and temporal variability remain highly uncertain. Here, we reconstruct climatological ${\mathrm{N}}_2$O emissions from the ocean by training a supervised learning algorithm with over 158,000 ${\mathrm{N}}_2$O measurements from the surface ocean—the largest synthesis to date. The reconstruction captures observed latitudinal gradients and coastal hot spots of ${\mathrm{N}}_2$O flux and reveals a vigorous global seasonal cycle. We estimate an annual mean ${\mathrm{N}}_2$O flux of 4.2 ± 1.0 Tg N $\cdot {\mathrm{y}}^{-1}$, 64% of which occurs in the tropics, and 20% in coastal upwelling systems that occupy less than 3% of the ocean area. This ${\mathrm{N}}_2$O flux ranges from a low of 3.3 ± 1.3 Tg N $\cdot {\mathrm{y}}^{-1}$in the boreal spring to a high of 5.5 ± 2.0 Tg N $\cdot {\mathrm{y}}^{-1}$in the boreal summer. Much of the seasonal variations in global ${\mathrm{N}}_2$O emissions can be traced to seasonal upwelling in the tropical ocean and winter mixing in the Southern Ocean. The dominant contribution to seasonality by productive, low-oxygen tropical upwelling systems (>75%) suggests a sensitivity of the global ${\mathrm{N}}_2$O flux to El Niño–Southern Oscillation and anthropogenic stratification of the low latitude ocean. This ocean flux estimate is consistent with the range adopted by the Intergovernmental Panel on Climate Change, but reduces its uncertainty by more than fivefold, enabling more precise determination of other terms in the atmospheric ${\mathrm{N}}_2$O budget. 

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5. The Scale of Stellar Yields: Implications of the Measured Mean Iron Yield of Core Collapse Supernovae

   https://doi.org/10.3847/1538-4357/ad6313  

   Weinberg, David_H; Griffith, Emily_J; Johnson, James_W; Thompson, Todd_A (September 2024, The Astrophysical Journal)

   Abstract The scale ofα-element yields is difficult to predict from theory because of uncertainties in massive star evolution, supernova physics, and black hole formation, and it is difficult to constrain empirically because the impact of higher yields can be compensated by greater metal loss in galactic winds. We use a recent measurement of the mean iron yield of core collapse supernovae (CCSN) by Rodriguez et al., ${\overline{y}}_{\mathrm{Fe}}^{\mathrm{cc}}=0.058\pm 0.007M_{\odot }$, to infer the scale ofα-element yields by assuming that the plateau of [α/Fe] abundance ratios observed in low-metallicity stars represents the yield ratio of CCSN. For a plateau at [α/Fe]_cc= 0.45, we find that the population-averaged yields of O and Mg are about equal to the solar abundance of these elements, $\log y_{\mathrm{O}}^{\mathrm{cc}}/Z_{\mathrm{O},\odot }=\log y_{\mathrm{Mg}}^{\mathrm{cc}}/Z_{\mathrm{Mg},\odot }=-0.01\pm 0.1$, where $y_{\mathrm{X}}^{\mathrm{cc}}$is the mass of element X produced by massive stars per unit mass of star formation. The inferred O and Fe yields agree with predictions of the Sukhbold et al. CCSN models assuming their Z9.6+N20 neutrino-driven engine, a scenario in which many progenitors withM< 40M_⊙implode to black holes rather than exploding. The yields are lower than assumed in many models of the galaxy mass–metallicity relation, reducing the level of outflows needed to match observed abundances. Our one-zone chemical evolution models with $\eta ={\dot{M}}_{\mathrm{out}}/{\dot{M}}_{*}\approx 0.6$evolve to solar metallicity at late times. By further requiring that models reach [α/Fe] ≈ 0 at late times, we infer a Hubble-time integrated Type Ia supernova rate of $1.1\times {10}^{-3}{M}_{\odot }^{-1}$, compatible with estimates from supernova surveys. 

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