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DOE OSTI2015

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2 – 28 Clusters

In this Article, we review the role of gas-phase, size-selected protonated water clusters, H+(H2O)n, in the analysis of the microscopic mechanics responsible for the behavior of the excess proton in bulk water. We extend upon previous studies of the smaller, two-dimensional sheet-like structures to larger (n≥10) assemblies with three-dimensional cage morphologies which better mimic the bulk environment. Indeed, clusters in which a complete second solvation shell forms around a surface-embedded hydronium ion yield vibrational spectra where the signatures of the proton defect display strikingly similar positions and breadth to those observed in dilute acids. We investigate effects of the local structure and intermolecular interactions on the large red shifts observed in the proton vibrational signature upon cluster growth using various theoretical methods. We show that, in addition to sizeable anharmonic couplings, the position of the excess proton vibration can be traced to large increases in the electric field exerted on the embedded hydronium ion upon formation of the first and second solvation shells. MAJ acknowledges support from the U.S. Department of Energy under Grant No. DE-FG02- 06ER15800 as well as the facilities and staff of the Yale University Faculty of Arts and Sciences High Performance Computing Center, and by the National Science Foundation under Grant No. CNS 08-21132 that partially funded acquisition of the facilities. SMK and SSX acknowledge support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Fournier, Joseph A.↗

DOE OSTI2017

The clustering of galaxies in the completed SDSS-III Baryon Oscillation Spectroscopic Survey: tomographic BAO analysis of DR12 combined sample in configuration space

We perform a tomographic baryon acoustic oscillations (BAOs) analysis using the two-point galaxy correlation function measured from the combined sample of Baryon Oscillation Spectroscopic Survey Data Release 12 (BOSS DR12), which covers the redshift range of 0.2 < z < 0.75. Upon splitting the sample into multiple overlapping redshift slices to extract the redshift information of galaxy clustering, we obtain a measurement of DA(z)/r d and H(z)r d at nine effective redshifts with the full covariance matrix calibrated using MultiDark-Patchy mock catalogues. Using the reconstructed galaxy catalogues, we obtain the precision of 1.3–2.2 percent for DA(z)/r d and 2.1–6.0 percent for H(z)r d . To quantify the gain from the tomographic information, we compare the constraints on the cosmological parameters using our nine-bin BAO measurements, the consensus three-bin BAO and redshift space distortion measurements at three effective redshifts in Alam et al., and the non-tomographic (one-bin) BAO measurement at a single effective redshift. Comparing the nine-bin with one-bin constraint result, it can improve the dark energy Figure of Merit by a factor of 1.24 for the Chevallier–Polarski–Linder parametrization for equation-of-state parameter w DE . The errors of w 0 and w a from nine-bin constraints are slightly improved when compared to the three-bin constraint result.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Streamlining heterologous expression of top carbonic anhydrases in Escherichia coli : bioinformatic and experimental approaches

Carbonic anhydrase (CA) enzymes facilitate the reversible hydration of CO 2 to bicarbonate ions and protons. Identifying efficient and robust CAs and expressing them in model host cells, such as Escherichia coli, enables more efficient engineering of these enzymes for industrial CO 2 capture. However, expression of CAs in E. coli is challenging due to the possible formation of insoluble protein aggregates, or inclusion bodies. This makes the production of soluble and active CA protein a prerequisite for downstream applications. In this study, we streamlined the process of CA expression by selecting seven top CA candidates and used two bioinformatic tools to predict their solubility for expression in E. coli. The prediction results place these enzymes in two categories: low and high solubility. Our expression of high solubility score CAs (namely CA5-SspCA, CA6-SazCAtrunc, CA7-PabCA and CA8-PhoCA) led to significantly higher protein yields (5 to 75 mg purified protein per liter) in flask cultures, indicating a strong correlation between the solubility prediction score and protein expression yields. Furthermore, phylogenetic tree analysis demonstrated CA class-specific clustering patterns for protein solubility and production yields. Unexpectedly, we also found that the unique N-terminal, 11-amino acid segment found after the signal sequence (not present in its homologs), was essential for CA6-SazCA activity. Overall, this work demonstrated that protein solubility prediction, phylogenetic tree analysis, and experimental validation are potent tools for identifying top CA candidates and then producing soluble, active forms of these enzymes in E. coli. The comprehensive approaches we report here should be extendable to the expression of other heterogeneous proteins in E. coli.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Observations of the Ultraviolet-bright Star Y453 in the Globular Cluster M4 (NGC 6121)

We present a spectral analysis of the UV-bright star Y453 in M4. Model fits to the star’s optical spectrum yield T{sub eff} ∼ 56,000 K. Fits to the star’s FUV spectrum, obtained with the Cosmic Origins Spectrograph on board the Hubble Space Telescope, reveal it to be considerably hotter, with T{sub eff} ∼ 72,000 K. We adopt T{sub eff} = 72,000 ± 2000 K and logg = 5.7 ± 0.2 as our best-fit parameters. Scaling the model spectrum to match the star’s optical and near-infrared magnitudes, we derive a mass M{sub ∗}=0.53±0.24 M{sub ⊙} and luminosity logL/L{sub ⊙}=2.84±0.05, consistent with the values expected of an evolved star in a globular cluster. Comparing the star with post-horizontal-branch evolutionary tracks, we conclude that it most likely evolved from the blue horizontal branch, departing the asymptotic giant branch before third dredge-up. It should thus exhibit the abundance pattern (O-poor and Na-rich) characteristic of the second-generation (SG) stars in M4. We derive the star’s photospheric abundances of He, C, N, O, Si, S, Ti, Cr, Fe, and Ni. CNO abundances are roughly 0.25 dex greater than those of the cluster’s SG stars, while the Si and S abundances match the cluster values. Abundances of the iron-peak elements (except for iron itself) are enhanced by 1–3 dex. Rather than revealing the star’s origin and evolution, this pattern reflects the combined effects of diffusive and mechanical processes in the stellar atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Modeling Redshift-space Clustering with Abundance Matching

Abstract We explore the degrees of freedom required to jointly fit projected and redshift-space clustering of galaxies selected in three bins of stellar mass from the Sloan Digital Sky Survey Main Galaxy Sample (SDSS MGS) using a subhalo abundance matching (SHAM) model. We employ emulators for relevant clustering statistics in order to facilitate our analysis, leading to large speed gains with minimal loss of accuracy. We are able to simultaneously fit the projected and redshift-space clustering of the two most massive galaxy samples that we consider with just two free parameters: scatter in stellar mass at fixed SHAM proxy, and the dependence of the SHAM proxy on dark matter halo concentration. We find some evidence for models that include velocity bias, but including orphan galaxies improves our fits to the lower-mass samples significantly. We also model the clustering signals of specific star formation rate (sSFR) selected samples using conditional abundance matching (CAM). We obtain acceptable fits to projected and redshift-space clustering as a function of sSFR and stellar mass using two CAM variants, although the fits are worse than for stellar-mass-selected samples alone. By incorporating nonunity correlations between the CAM proxy and sSFR, we are able to resolve previously identified discrepancies between CAM predictions and SDSS observations of the environmental dependence of quenching for isolated central galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Neutron capture by light nuclei at astrophysical energies

Results: obtained in the studies of radiative neutron capture on light nuclei at thermal and astrophysical energies are reviewed. The capture reactions in question are part of the primordial nucleosynthesis reaction chain underlying formation and development of the Universe. The reactions are treated within the potential cluster model with orbital states of clusters classified by Young diagrams. It is demonstrated that the intercluster potentials obtained from the phase shift analysis and description of the main characteristics of bound nuclear states in cluster channels can be used for the analysis of radiative capture characteristics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

X-ray properties of the X-CLASS-redMaPPer galaxy cluster sample: the luminosity–temperature relation

ABSTRACT This article presents the results of a spectroscopic analysis of the X-CLASS-redMaPPer (XC1-RM) galaxy cluster sample. X-CLASS is a serendipitous search for clusters in X-ray wavebands based on the XMM–Newton archive, whereas redMaPPer is an optical cluster catalogue derived from the Sloan Digital Sky Survey (SDSS). The present sample comprises 92 X-ray extended sources identified in optical images within 1 arcmin separation. The area covered by the cluster sample is ∼ 27 deg2. The clusters span a wide redshift range (0.05 < z < 0.6) and 88 clusters benefit from spectrosopically confirmed redshifts using data from SDSS Data Release 14. We present an automated pipeline to derive the X-ray properties of the clusters in three distinct apertures: R500 (at fixed mass overdensity), Rfit (at fixed signal-to-noise ratio) and ${R}_{300\, {\rm kpc}}$ (fixed physical radius). The sample extends over wide temperature and luminosity ranges: from 1–10 keV and from 6 × 1042 to 11 × 1044 erg s−1, respectively. We investigate the luminosity–temperature (L–T) relation of the XC1-RM sample and find a slope equal to 3.03 ± 0.26. It is steeper than predicted by self-similar assumptions, in agreement with independent studies. A simplified approach is developed to estimate the amount and impact of selection biases that might be affecting our recoveredL–Tparameters. The result of this simulation process suggests that the measuredL–Trelation is biased to a steeper slope and higher normalization.

Molham, Mona↗

DOE OSTI2017

All-sky Search for Time-integrated Neutrino Emission from Astrophysical Sources with 7 yr of IceCube Data

Since the recent detection of an astrophysical flux of high-energy neutrinos, the question of its origin has not yet fully been answered. Much of what is known about this flux comes from a small event sample of high neutrino purity, good energy resolution, but large angular uncertainties. In searches for point-like sources, on the other hand, the best performance is given by using large statistics and good angular reconstructions. Track-like muon events produced in neutrino interactions satisfy these requirements. We present here the results of searches for point-like sources with neutrinos using data acquired by the IceCube detector over 7 yr from 2008 to 2015. The discovery potential of the analysis in the northern sky is now significantly below E{sub ν}{sup 2}dϕ/dE{sub ν} = 10{sup −12} TeV cm{sup −2} s{sup −1}, on average 38% lower than the sensitivity of the previously published analysis of 4 yr exposure. No significant clustering of neutrinos above background expectation was observed, and implications for prominent neutrino source candidates are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

SUNYAEV-ZEL'DOVICH-MEASURED PRESSURE PROFILES FROM THE BOLOCAM X-RAY/SZ GALAXY CLUSTER SAMPLE

We describe Sunyaev-Zel'dovich (SZ) effect measurements and analysis of the intracluster medium (ICM) pressure profiles of a set of 45 massive galaxy clusters imaged using Bolocam at the Caltech Submillimeter Observatory. We deproject the average pressure profile of our sample into 13 logarithmically spaced radial bins between 0.07R{sub 500} and 3.5R{sub 500}, and we find that a generalized Navarro, Frenk, and White (gNFW) profile describes our data with sufficient goodness-of-fit and best-fit parameters (C{sub 500}, {alpha}, {beta}, {gamma}, P{sub 0} = 1.18, 0.86, 3.67, 0.67, 4.29). We use X-ray data to define cool-core and disturbed subsamples of clusters, and we constrain the average pressure profiles of each of these subsamples. We find that, given the precision of our data, the average pressure profiles of disturbed and cool-core clusters are consistent with one another at R {approx}> 0.15R{sub 500}, with cool-core systems showing indications of higher pressure at R {approx}< 0.15R{sub 500}. In addition, for the first time, we place simultaneous constraints on the mass scaling of cluster pressure profiles, their ensemble mean profile, and their radius-dependent intrinsic scatter between 0.1R{sub 500} and 2.0R{sub 500}. The scatter among profiles is minimized at radii between {approx_equal} 0.2R{sub 500} and {approx_equal} 0.5R{sub 500}, with a value of {approx_equal} 20%. These results for the intrinsic scatter are largely consistent with previous analyses, most of which have relied heavily on X-ray derived pressures of clusters at significantly lower masses and redshifts compared to our sample. Therefore, our data provide further evidence that cluster pressure profiles are largely universal with scatter of {approx_equal} 20%-40% about the universal profile over a wide range of masses and redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

High-coercivity magnetism in nanostructures with strong easy-plane anisotropy

Here, we report the fabrication of a rare-earth-free permanent-magnet material Co 3 Si in the form of nanoparticles and investigate its magnetic properties by experiments and density-functional theory (DFT). The DFT calculations show that bulk Co 3 Si has an easy-plane anisotropy with a high K 1 ≈ -64 Merg/cm 3 (-6.4 MJ/m 3 ) and magnetic polarization of 9.2 kG (0.92 T). In spite of having a negative anisotropy that generally leads to negligibly low coercivities in bulk crystals, Co 3 Si nanoparticles exhibit high coercivities (17.4 kOe at 10K and 4.3 kOe at 300 K). This result is a consequence of the unique nanostructure made possible by an effective easy-axis alignment in the cluster-deposition method and explained using micromagnetic analysis as a nanoscale phenomenon involving quantum-mechanical exchange interactions.

36 MATERIALS SCIENCE↗

DOE OSTI2013

LoCuSS: THE STEADY DECLINE AND SLOW QUENCHING OF STAR FORMATION IN CLUSTER GALAXIES OVER THE LAST FOUR BILLION YEARS

We present an analysis of the levels and evolution of star formation activity in a representative sample of 30 massive galaxy clusters at 0.15 < z < 0.30 from the Local Cluster Substructure Survey, combining wide-field Spitzer/MIPS 24 μm data with extensive spectroscopy of cluster members. The specific SFRs of massive (M > or approx. 10{sup 10} M{sub ☉}) star-forming cluster galaxies within r{sub 200} are found to be systematically ∼28% lower than their counterparts in the field at fixed stellar mass and redshift, a difference significant at the 8.7σ level. This is the unambiguous signature of star formation in most (and possibly all) massive star-forming galaxies being slowly quenched upon accretion into massive clusters, their star formation rates (SFRs) declining exponentially on quenching timescales in the range 0.7-2.0 Gyr. We measure the mid-infrared Butcher-Oemler effect over the redshift range 0.0-0.4, finding rapid evolution in the fraction (f{sub SF}) of massive (M{sub K} < – 23.1) cluster galaxies within r{sub 200} with SFRs > 3 M{sub ☉} yr{sup –1}, of the form f{sub SF}∝(1 + z){sup 7.6±1.1}. We dissect the origins of the Butcher-Oemler effect, revealing it to be due to the combination of a ∼3 × decline in the mean specific SFRs of star-forming cluster galaxies since z ∼ 0.3 with a ∼1.5 × decrease in number density. Two-thirds of this reduction in the specific SFRs of star-forming cluster galaxies is due to the steady cosmic decline in the specific SFRs among those field galaxies accreted into the clusters. The remaining one-third reflects an accelerated decline in the star formation activity of galaxies within clusters. The slow quenching of star formation in cluster galaxies is consistent with a gradual shut down of star formation in infalling spiral galaxies as they interact with the intracluster medium via ram-pressure stripping or starvation mechanisms. The observed sharp decline in star formation activity among cluster galaxies since z ∼ 0.4 likely reflects the increased susceptibility of low-redshift spiral galaxies to gas removal mechanisms as their gas surface densities decrease with time. We find no evidence for the build-up of cluster S0 bulges via major nuclear starburst episodes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

THE TEMPERATURE DISTRIBUTION OF HORIZONTAL BRANCH STARS: METHODS AND FIRST RESULTS

As part of a large project aimed at characterizing the ultraviolet (UV) properties of globular clusters, we present here a theoretical and observational analysis aimed at setting the framework for the determination of horizontal branch (HB) temperature distributions. Indeed this is crucial information needed to understand the physical parameters shaping the HB morphology in globular clusters and to interpret the UV emission from unresolved stellar systems. We found that the use of zero age HB color-T {sub eff} relations is a robust way to derive effective temperatures of individual HB stars. We investigated the most suitable colors for temperature estimates and the effect on the color-T {sub eff} relations of variations of the initial chemical composition and the evolution off the zero age HB. As a test case, we applied our color-T {sub eff} calibrations to the Galactic globular cluster M15. The photometry of M15 has been obtained with the Wide Field and Planetary Camera 2 on board the Hubble Space Telescope. The HB of M15 turned out to have a multimodal distribution, with a main component peaking at T{sub eff} ∼ 8000 K and confined below T{sub eff} ∼ 10,000 K. The second component peaks at T{sub eff} ∼ 14,000 K and extends up to T{sub eff} ∼ 20,000 K. The vast majority ( ∼ 95%) of the HB stars in M15 is below 20,000 K, in agreement with the lack of a well populated extreme HB observed in other metal-poor globular clusters. We also verified that the temperatures derived with our analysis are consistent with spectroscopic estimates available in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Density functional theory of water with the machine-learned DM21 functional

The delicate interplay between functional-driven and density-driven errors in density functional theory (DFT) has hindered traditional density functional approximations (DFAs) from providing an accurate description of water for over 30 years. Recently, the deep-learned DeepMind 21 (DM21) functional has been shown to overcome the limitations of traditional DFAs as it is free of delocalization error. To determine if DM21 can enable a molecular-level description of the physical properties of aqueous systems within Kohn–Sham DFT, we assess the accuracy of the DM21 functional for neutral, protonated, and deprotonated water clusters. Furthermore, we find that the ability of DM21 to accurately predict the energetics of aqueous clusters varies significantly with cluster size. Additionally, we introduce the many-body MB-DM21 potential derived from DM21 data within the many-body expansion of the energy and use it in simulations of liquid water as a function of temperature at ambient pressure. We find that size-dependent functional-driven errors identified in the analysis of the energetics of small clusters calculated with the DM21 functional result in the MB-DM21 potential systematically overestimating the hydrogen-bond strength and, consequently, predicting a more ice-like local structure of water at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Galaxy bias in the era of LSST: perturbative bias expansions

Upcoming imaging surveys will allow for high signal-to-noise measurements of galaxy clustering at small scales. In this work, we present the results of the Rubin Observatory Legacy Survey of Space and Time (LSST) bias challenge, the goal of which is to compare the performance of different nonlinear galaxy bias models in the context of LSST Year 10 (Y10) data. Specifically, we compare two perturbative approaches, Lagrangian perturbation theory (LPT) and Eulerian perturbation theory (EPT) to two variants of Hybrid Effective Field Theory (HEFT), with our fiducial implementation of these models including terms up to second order in the bias expansion as well as nonlocal bias and deviations from Poissonian stochasticity. Here, we consider a variety of different simulated galaxy samples and test the performance of the bias models in a tomographic joint analysis of LSST-Y10-like galaxy clustering, galaxy-galaxy-lensing and cosmic shear. We find both HEFT methods as well as LPT and EPT combined with non-perturbative predictions for the matter power spectrum to yield unbiased constraints on cosmological parameters up to at least a maximal scale of k max = 0.4 Mpc -1 for all samples considered, even in the presence of assembly bias. While we find that we can reduce the complexity of the bias model for HEFT without compromising fit accuracy, this is not generally the case for the perturbative models. We find significant detections of non-Poissonian stochasticity in all cases considered, and our analysis shows evidence that small-scale galaxy clustering predominantly improves constraints on galaxy bias rather than cosmological parameters. These results therefore suggest that the systematic uncertainties associated with current nonlinear bias models are likely to be subdominant compared to other sources of error for tomographic analyses of upcoming photometric surveys, which bodes well for future galaxy clustering analyses using these high signal-to-noise data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Density jumps near the virial radius of galaxy clusters

Recent simulations have indicated that the dark matter halos of galaxy clusters should feature steep density jumps near the virial radius. Since the member galaxies are expected to follow similar collisionless dynamics as the dark matter, the galaxy density profile should show such a feature as well. We examine the potential of current data sets to test this prediction by selecting cluster members for a sample of 56 low-redshift (0.1<z<0.3) galaxy clusters, constructing their projected number density profiles, and fitting them with two profiles, one with a steep density jump and one without. Additionally, we investigate the presence of a jump using a non-parametric spline approach. We find that some of these clusters show strong evidence for a model with a density jump, with the strength of the signal increasing with the inclusion of spectroscopic cluster member identification. We discuss avenues for further analysis of the density jump with future data sets, particularly with the inclusion of additional spectroscopy of cluster outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

The dynamical state of eROSITA clusters and its impact on the brightest cluster galaxy luminosity

The first Spectrum-Roentgen-Gamma (SRG) eROSITA public release contains 12 247 clusters and groups from its first 6 months of operation. We used the offset between the brightest cluster galaxy (BCG) and the X-ray peak ( D BCG − X ) to classify the cluster dynamical state of 3946 galaxy clusters and groups. We aim to investigate the evolution of the merger and relaxed cluster distributions with redshift and mass, and the distributions’ impact on the BCG. We used the X-ray peak from the eROSITA survey and the BCG position from the LS DR10 optical data, which includes the DECam eROSITA Survey optical data, to measure the D BCG − X offset. We modelled the distribution of D BCG − X , in units of R 500 , as the sum of two Rayleigh distributions representing the cluster’s relaxed and disturbed populations, and explored their evolution with redshift and mass. To explore the impact of the cluster’s dynamical state on the BCG luminosity, we separated the main sample according to the dynamical state. We defined clusters as relaxed if D BCG − X < 0.25R500, disturbed if D BCG − X > 0.5R500, and ‘diverse’ if 0.25R500 < D BCG − X < 0.5R500. We find no evolution of the merging fraction with redshift or mass. The width of the relaxed distribution increases with redshift, while the width of the two Rayleigh distributions decreases with mass. The analysis reveals that BCGs in relaxed clusters are brighter than BCGs in both the disturbed and diverse cluster populations. The most significant differences are found for high-mass clusters at higher redshifts. The results suggest that BCGs in low-mass clusters are less centrally bound than those in high-mass systems, irrespective of the dynamical state. Over time, BCGs in relaxed clusters progressively align with the potential centre. This alignment correlates with their luminosity growth relative to BCGs in dynamically disturbed clusters, underscoring the critical role of the cluster’s dynamical state in regulating BCG evolution.

galaxy clusters↗

DOE OSTI2025

Statistical relationships across epigenomes using large-scale hierarchical clustering

Recent advances in genomics and sequencing platforms have revolutionized our ability to create immense data sets, particularly for studying epigenetic regulation of gene expression. However, the avalanche of epigenomic data is difficult to parse for biological interpretation given nonlinear complex patterns and relationships. This attractive challenge in epigenomic data lends itself to machine learning for discerning infectivity and susceptibility. In this study, we explore over 3000 epigenomes of uninfected individuals and provide a framework to characterize the relationships among epigenetic modifiers, their modifiers, genetic loci, and specific immune cell types across all chromosomes using hierarchical clustering. Hierarchical clustering of epigenomic data revealed consistent epigenetic patterns across chromosomes, demonstrating that variation due to epigenetic modifiers is greater than variation between cell types. Gene Ontology and KEGG pathway analyses indicated significant enrichment of genes involved in chromatin remodeling, mRNA splicing, immune responses, and the regulation of microRNAs and snoRNAs. Epigenetic modifiers frequently formed biologically relevant clusters, including the cohesin complex, RNA Polymerase II transcription factors, and PRC2 complex members. These clustering behaviors remained consistent across all chromosomes, supported by entropy analysis and high Adjusted Rand Index scores, indicating robust cross-chromosomal similarity. Co-occurrence analysis further revealed specific sets of modifiers that consistently appeared together within clusters, reflecting shared biological functions and interactions. Validation using another dataset confirmed the reproducibility of these clustering patterns and modifier co-occurrence relationships, underscoring the reliability and generalizability of the methodology.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

On the Iron Abundance Anomaly in K-dwarf and Hyades Stars

Using standard 1D-LTE model atmosphere analysis, we provide an in-depth investigation of iron abundance as derived from neutral and singly ionization iron lines (Fe i, ii) in nearby star clusters. Specifically, we replicate the discrepancy regarding Δ[Fe/H], wherein the difference of Fe ii–Fe i increases for stars of the same cluster with decreasing T {sub eff}, reaching an astonishing 1.0 dex at T {sub eff} ∼ 4000 K. Previous studies have investigated this anomaly in the Pleiades and Hyades clusters with no concrete solution. In this analysis, we probe two samples: 63 wide binary field stars where the primary star is of Sun-like temperatures and the secondary is a K-dwarf, ranging from 4231 K ≤ T {sub eff} ≤ 6453 K, and 33 Hyades stars of temperatures 4268 K ≤ T {sub eff} ≤ 6072 K. Previous studies have found discrepancies on the order of 1.0 dex. However, we find that these studies have neglected line-blending effects of certain Fe ii lines, namely λ = (4508.29 Å, 4993.34 Å, 5197.58 Å, 5325.55 Å, 5425.26 Å, 6456.38 Å). When these lines are removed from the line-list, we find Δ[Fe/H] decreases to ∼0.6 dex in the field binaries and ∼0.3 dex in the Hyades. The reason for this remaining trend is investigated by probing NLTE effects, as well as age and activity considerations using Ca ii H+K emission and Li absorption, but these results appear to be small to negligible.

79 ASTRONOMY AND ASTROPHYSICS↗