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Abstract The resistance to oxidizing environments exhibited by some M n+1 AX n (MAX) phases stems from the formation of stable and protective oxide layers at high operating temperatures. The MAX phases are hexagonally arranged layered nitrides or carbides with general formula M n +1 AX n , n = 1, 2, 3, where M is early transition elements, A is A block elements, and X is C/N. Previous attempts to model and assess oxide phase stability in these systems has been limited in scope due to higher computational costs. To address the issue, we developed a machine-learning driven high-throughput frameworkmore »for the fast assessment of phase stability and oxygen reactivity of 211 chemistry MAX phase M 2 AX. The proposed scheme combines a sure independence screening sparsifying operator-based machine-learning model in combination with grand-canonical linear programming to assess temperature-dependent Gibbs free energies, reaction products, and elemental chemical activity during the oxidation of MAX phases. The thermodynamic stability, and chemical activity of constituent elements of Ti 2 AlC with respect to oxygen were fully assessed to understand the high-temperature oxidation behavior. The predictions are in good agreement with oxidation experiments performed on Ti 2 AlC. We were also able to explain the metastability of Ti 2 SiC, which could not be synthesized experimentally due to higher stability of competing phases. For generality of the proposed approach, we discuss the oxidation mechanism of Cr 2 AlC. The insights of oxidation behavior will enable more efficient design and accelerated discovery of MAX phases with maintained performance in oxidizing environments at high temperatures.« less
Free, publicly-accessible full text available December 1, 2022
Somboonpanyakul, T.; McDonald, M.; Noble, A.; Aguena, M.; Allam, S.; Amon, A.; Andrade-Oliveira, F.; Bacon, D.; Bayliss, M. B.; Bertin, E.; et al(
, The Astronomical Journal)
Abstract We present the results of an analysis of Wide-field Infrared Survey Explorer (WISE) observations of the full 2500 deg 2 South Pole Telescope (SPT)-Sunyaev–Zel’dovich cluster sample. We describe a process for identifying active galactic nuclei (AGN) in brightest cluster galaxies (BCGs) based on WISE mid-IR color and redshift. Applying this technique to the BCGs of the SPT-SZ sample, we calculate the AGN-hosting BCG fraction, which is defined as the fraction of BCGs hosting bright central AGNs over all possible BCGs. Assuming an evolving single-burst stellar population model, we find statistically significant evidence (>99.9%) for a mid-IR excess at highmore »redshift compared to low redshift, suggesting that the fraction of AGN-hosting BCGs increases with redshift over the range of 0 < z < 1.3. The best-fit redshift trend of the AGN-hosting BCG fraction has the form (1 + z ) 4.1±1.0 . These results are consistent with previous studies in galaxy clusters as well as as in field galaxies. One way to explain this result is that member galaxies at high redshift tend to have more cold gas. While BCGs in nearby galaxy clusters grow mostly by dry mergers with cluster members, leading to no increase in AGN activity, BCGs at high redshift could primarily merge with gas-rich satellites, providing fuel for feeding AGNs. If this observed increase in AGN activity is linked to gas-rich mergers rather than ICM cooling, we would expect to see an increase in scatter in the P cav versus L cool relation at z > 1. Last, this work confirms that the runaway cooling phase, as predicted by the classical cooling-flow model, in the Phoenix cluster is extremely rare and most BCGs have low (relative to Eddington) black hole accretion rates.« less
Free, publicly-accessible full text available March 3, 2023
Grandis, S; Mohr, J J; Costanzi, M; Saro, A; Bocquet, S; Klein, M; Aguena, M; Allam, S; Annis, J; Ansarinejad, B; et al(
, Monthly Notices of the Royal Astronomical Society)
ABSTRACT We perform a cross validation of the cluster catalogue selected by the red-sequence Matched-filter Probabilistic Percolation algorithm (redMaPPer) in Dark Energy Survey year 1 (DES-Y1) data by matching it with the Sunyaev–Zel’dovich effect (SZE) selected cluster catalogue from the South Pole Telescope SPT-SZ survey. Of the 1005 redMaPPer selected clusters with measured richness $\hat{\lambda }\gt 40$ in the joint footprint, 207 are confirmed by SPT-SZ. Using the mass information from the SZE signal, we calibrate the richness–mass relation using a Bayesian cluster population model. We find a mass trend λ ∝ MB consistent with a linear relation (B ∼ 1),more »no significant redshift evolution and an intrinsic scatter in richness of σλ = 0.22 ± 0.06. By considering two error models, we explore the impact of projection effects on the richness–mass modelling, confirming that such effects are not detectable at the current level of systematic uncertainties. At low richness SPT-SZ confirms fewer redMaPPer clusters than expected. We interpret this richness dependent deficit in confirmed systems as due to the increased presence at low richness of low-mass objects not correctly accounted for by our richness-mass scatter model, which we call contaminants. At a richness $\hat{\lambda }=40$, this population makes up ${\gt}12{{\ \rm per\ cent}}$ (97.5 percentile) of the total population. Extrapolating this to a measured richness $\hat{\lambda }=20$ yields ${\gt}22{{\ \rm per\ cent}}$ (97.5 percentile). With these contamination fractions, the predicted redMaPPer number counts in different plausible cosmologies are compatible with the measured abundance. The presence of such a population is also a plausible explanation for the different mass trends (B ∼ 0.75) obtained from mass calibration using purely optically selected clusters. The mean mass from stacked weak lensing (WL) measurements suggests that these low-mass contaminants are galaxy groups with masses ∼3–5 × 1013 M⊙ which are beyond the sensitivity of current SZE and X-ray surveys but a natural target for SPT-3G and eROSITA.« less
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