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At least 343 records · Page 19

Lowest-energy broad 𝛼-cluster resonances in 19 F

There is strong astrophysical interest in the structure of 19 F states near the α-decay threshold, as their properties are important for understanding the development of α clustering in the 20 Ne region. The emergence of clustered states, and more generally of states that couple strongly to reaction channels near their decay thresholds, is also a topic of current interest in theoretical nuclear physics. In this work, we determine the parameters of broad low-spin states in 19 F near the α-decay threshold and present a theoretical study of these states. The analysis is restricted to ℓ = 0 and 1 resonances in the α + 15 N system close to the α threshold in 19 F. Excitation functions for 15 N(α,α) elastic scattering were measured using the Thick Target Inverse Kinematics (TTIK) method, and these new data, together with older high–energy-resolution measurements, were analyzed within the R-matrix framework. The nuclear structure of 19 F was calculated using configuration-interaction methods with a recently developed effective interaction Hamiltonian. As a result, we identify a sequence of α-cluster resonances in 19 F and map the distribution of clustering strength, which is relevant for astrophysical reaction modeling and for the theoretical understanding of many-body dynamics and the emergence of clustering in loosely bound or unstable nuclei. Furthermore, the work advances theoretical insight into the origins of clustering and highlights open questions for future theoretical and experimental studies.

19F↗

2D Ionic Liquid-Like State of Charged Rare-Earth Clusters on a Metal Surface

Rare-earth complexes are vital for separation chemistry and useful in many advanced applications including emission and energy upconversion. Here, 2D rare-earth clusters having net charges are formed on a metal surface, enabling investigations of their structural and electronic properties on a one-cluster-at-a-time basis using scanning tunneling microscopy. While these ionic complexes are highly mobile on the surface at ≈100 K, their mobility is greatly reduced at 5 K and reveals stable and self-limiting clusters. In each cluster, a pair of charged rare-earth complexes formed by electrostatic and dispersive interactions act as a basic unit, and the clusters are chiral. Unlike other non-ionic molecular clusters formed on the surfaces, these rare-earth clusters show mechanical stability. Moreover, their high mobility on the surface suggests that they are in a 2D liquid-like state.

36 MATERIALS SCIENCE↗

A cluster of results on amplituhedron tiles

Abstract The amplituhedron is a mathematical object which was introduced to provide a geometric origin of scattering amplitudes in $$\mathcal {N}=4$$ N = 4 super Yang–Mills theory. It generalizes cyclic polytopes and the positive Grassmannian and has a very rich combinatorics with connections to cluster algebras. In this article, we provide a series of results about tiles and tilings of the $$m=4$$ m = 4 amplituhedron. Firstly, we provide a full characterization of facets of BCFW tiles in terms of cluster variables for $$\text{ Gr}_{4,n}$$ Gr 4 , n . Secondly, we exhibit a tiling of the $$m=4$$ m = 4 amplituhedron which involves a tile which does not come from the BCFW recurrence—the spurion tile, which also satisfies all cluster properties. Finally, strengthening the connection with cluster algebras, we show that each standard BCFW tile is the positive part of a cluster variety, which allows us to compute the canonical form of each such tile explicitly in terms of cluster variables for $$\text{ Gr}_{4,n}$$ Gr 4 , n . This paper is a companion to our previous paper “Cluster algebras and tilings for the $$m=4$$ m = 4 amplituhedron.”

Physics↗

Structure and Stability of the Ionic Liquid Clusters [EMIM]n[BF4]n+1- (n = 1 – 9): Implications for Electrochemical Separations

Precise functionalization of electrodes with size-selected ionic liquid (IL) clusters may improve the application of ILs in electrochemical separations. Herein, we report our combined experimental and theoretical investigation of the IL clusters [EMIM]????[BF4]????+1- (n = 1 – 9) and demonstrate their selectivity and efficiency towards targeted adsorption of molecules from solution. The structures and energies of the IL clusters, predicted with global optimization, agree with and help interpret the ion abundances and stabilities measured by high mass resolution electrospray ionization mass spectrometry and collision induced dissociation experiments. The [EMIM][BF4]2- cluster, which was identified as the most stable IL cluster, was selectively soft landed onto a working electrode. Electrochemical impedance spectroscopy revealed a lower charge transfer resistance on the soft-landed electrode containing [EMIM] [BF_4 ]_2^- compared to an electrode prepared by drop casting of IL solution, which contains the full range of IL clusters. Our findings indicate that specific IL clusters may be used to increase the efficiency of electrochemical separations by lowering the overpotentials involved.

Zhang, Jun↗

Clustering Effects on the Structure of Ionomer Solutions: A Combined SANS and Simulations Study

Ionic assemblies, or clusters, determine the structure and dynamics of ionizable polymers and enable their many applications. Fundamental to attaining well-defined materials is controlling the balance between van der Waals interactions that govern the backbone behavior and the forces that drive the formation of ionic clusters. Here, using small angle neutron scattering and fully atomistic molecular dynamics simulations, the structure of a model ionomer, sulfonated polystyrene in toluene solutions, was investigated as the cluster cohesion was tweaked by the addition of ethanol. The static structure factor was measured by both techniques and correlated with the size of the ionic clusters as the polymer concentration was varied. The conjunction of SANS results and molecular insight from MD simulations enabled the determination of the structure in these inhomogeneous networks on multiple length scales. Additionally, we find that across the entire concentration range studied, a network driven by the formation of ionic clusters was formed, where the size of the clusters drives the inhomogeneity of these systems. Tweaking the ionic clusters through the addition of ethanol impacts the packing of the sulfonated groups, their shape, and their size distribution, which in turn, affects the structure of these networks.

36 MATERIALS SCIENCE↗

Highly dispersed Pt atoms and clusters on hydroxylated indium tin oxide: a view from first-principles calculations

Supported single-atom and small cluster catalysts have become highly popular in heterogeneous catalysis. These catalysts can maximize the metal atom utilization while still showing superior catalytic performance. One of the main challenges in producing these small cluster catalysts is their low binding strength with the support, which causes these small clusters to sinter into larger nanoparticles. We have used first-principles simulations to study small Pt n ( n : 1,2,3) clusters on indium oxide, tin doped indium oxide, and hydroxylated tin doped indium oxide. We report that the Pt n cluster is stabilized in the presence of tin and that this is especially the case for Pt single atoms on the hydroxylated indium tin oxide support, which are anchored to the support via the hydroxyl group. On this support, the Pt single atoms become more stable than Pt 2 and Pt 3 clusters, hence decreasing sintering. These findings provide a promising way to design single-atom catalysts on electrically conducting supports for electrocatalytic applications and to better understand how functional groups on supports can increase the adhesion of cluster catalysts.

36 MATERIALS SCIENCE↗

The striking influence of oxophilicity differences in heterometallic Mo–Mn oxide cluster reactions with water

Mixed-metal oxides have proven to be effective catalysts for the hydrogen evolution reaction, often outperforming either of the binary metal oxides. The reactivity of Mn x MoO y - (x = 1, 2; y = 3, 4) clusters toward H 2 O was investigated via time-of-flight mass spectrometry with clear evidence of cluster oxidation and corresponding H 2 production, specifically for Mn x MoO 3 - (x = 1, 2) clusters. Unlike previously studied MoxOy- clusters, which assumed a broad distribution of stoichiometries (typically x ≤ y ≤ 3x), both MnMoOy- and Mn 2 MoO y - preferentially formed y = 3 and 4 compositions in significant quantities under our source conditions. The electronic and molecular structures of the Mn x MoO y (x = 1, 2; y = 3, 4) anion and neutral clusters were probed with anion photoelectron spectroscopy and analyzed with supporting density functional theory calculations. Our studies suggest that both metal centers are involved in initial cluster–water complex formation, while Mo is the center that undergoes oxidation; hence, reactivity terminates when Mo is saturated in its highest oxidation state of +6. Across these four clusters, Mn remains relatively reduced and is stable in a high-spin electronic configuration. The preferential reactivity of water molecules toward the Mo center rather than Mn is rationalized by the much lower relative oxophilicity of Mn.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗

Facile and dynamic cleavage of every iron–sulfide bond in cuboidal iron–sulfur clusters

Nature employs weak-field metalloclusters to support a wide range of biological processes. The most ubiquitous metalloclusters are the cuboidal Fe–S clusters, which are comprised of Fe sites with locally high-spin electronic configurations. Such configurations enhance rates of ligand exchange and imbue the clusters with a degree of structural plasticity that is increasingly thought to be functionally relevant. Here, we examine this phenomenon using isotope tracing experiments. Specifically, we demonstrate that synthetic [Fe 4 S 4 ] and [MoFe 3 S 4 ] clusters exchange their Fe atoms with Fe 2+ ions dissolved in solution, a process that involves the reversible cleavage and reformation of every Fe–S bond in the cluster core. This exchange is facile—in most cases occurring at room temperature on the timescale of minutes—and documented over a range of cluster core oxidation states and terminal ligation patterns. In addition to suggesting a highly dynamic picture of cluster structure, these results provide a method for isotopically labeling pre-formed clusters with spin-active nuclei, such as 57 Fe. Such a protocol is demonstrated for the radical S -adenosyl- l -methionine enzyme, RlmN.

Science & Technology - Other Topics↗

Heterologous synthesis of the complex homometallic cores of nitrogenase P- and M-clusters in Escherichia coli

Nitrogenase is an active target of heterologous expression because of its importance for areas related to agronomy, energy, and environment. One major hurdle for expressing an active Mo-nitrogenase in Escherichia coli is to generate the complex metalloclusters (P- and M-clusters) within this enzyme, which involves some highly unique bioinorganic chemistry/metalloenzyme biochemistry that is not generally dealt with in the heterologous expression of proteins via synthetic biology; in particular, the heterologous synthesis of the homometallic P-cluster ([Fe 8 S 7 ]) and M-cluster core (or L-cluster; [Fe 8 S 9 C]) on their respective protein scaffolds, which represents two crucial checkpoints along the biosynthetic pathway of a complete nitrogenase, has yet to be demonstrated by biochemical and spectroscopic analyses of purified metalloproteins. Here, we report the heterologous formation of a P-cluster-containing NifDK protein upon coexpression of Azotobacter vinelandii nifD, nifK, nifH, nifM, and nifZ genes, and that of an L-cluster-containing NifB protein upon coexpression of Methanosarcina acetivorans nifB, nifS, and nifU genes alongside the A. vinelandii fdxN gene, in E. coli. Our metal content, activity, EPR, and XAS/EXAFS data provide conclusive evidence for the successful synthesis of P- and L-clusters in a nondiazotrophic host, thereby highlighting the effectiveness of our metallocentric, divide-and-conquer approach that individually tackles the key events of nitrogenase biosynthesis prior to piecing them together into a complete pathway for the heterologous expression of nitrogenase. As such, this work paves the way for the transgenic expression of an active nitrogenase while providing an effective tool for further tackling the biosynthetic mechanism of this important metalloenzyme.

59 BASIC BIOLOGICAL SCIENCES↗

Strong chemical tagging with APOGEE: 21 candidate star clusters that have dissolved across the Milky Way disc

ABSTRACT Chemically tagging groups of stars born in the same birth cluster is a major goal of spectroscopic surveys. To investigate the feasibility of such strong chemical tagging, we perform a blind chemical tagging experiment on abundances measured from APOGEE survey spectra. We apply a density-based clustering algorithm to the 8D chemical space defined by [Mg/Fe], [Al/Fe], [Si/Fe], [K/Fe], [Ti/Fe], [Mn/Fe], [Fe/H], and [Ni/Fe], abundances ratios which together span multiple nucleosynthetic channels. In a high-quality sample of 182 538 giant stars, we detect 21 candidate clusters with more than 15 members. Our candidate clusters are more chemically homogeneous than a population of non-member stars with similar [Mg/Fe] and [Fe/H], even in abundances not used for tagging. Group members are consistent with having the same age and fall along a single stellar-population track in log g versus Teff space. Each group’s members are distributed over multiple kpc, and the spread in their radial and azimuthal actions increases with age. We qualitatively reproduce this increase using N-body simulations of cluster dissolution in Galactic potentials that include transient winding spiral arms. Observing our candidate birth clusters with high-resolution spectroscopy in other wavebands to investigate their chemical homogeneity in other nucleosynthetic groups will be essential to confirming the efficacy of strong chemical tagging. Our initially spatially compact but now widely dispersed candidate clusters will provide novel limits on chemical evolution and orbital diffusion in the Galactic disc, and constraints on star formation in loosely bound groups.

Price-Jones, Natalie↗

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↗

The Milky Way’s stellar streams and globular clusters do not align in a Vast Polar Structure

ABSTRACT There is increasing evidence that a substantial fraction of Milky Way satellite galaxies align in a rotationally supported plane of satellites, a rare configuration in cosmological simulations of galaxy formation. It has been suggested that other Milky Way substructures (namely young halo globular clusters and stellar/gaseous streams) similarly tend to align with this plane, accordingly dubbed the Vast Polar Structure (VPOS). Using systemic proper motions inferred from Gaia data, we find that globular cluster orbital poles are not clustered in the VPOS direction, though the population with the highest VPOS membership fraction is the young halo clusters (∼30 per cent). We additionally provide a current census of stellar streams, including new streams discovered using the Dark Energy Survey and Gaia data sets, and find that stellar stream normals are also not clustered in the direction of the VPOS normal. We also find that, based on orbit modelling, there is a likely association between NGC 3201 and the Gjöll stellar stream and that, based on its orbital pole, NGC 4147 is likely not a Sagittarius globular cluster. That the Milky Way’s accreted globular clusters and streams do not align in the same planar configuration as its satellites suggests that the plane of satellites is either a particularly stable orbital configuration or a population of recently accreted satellites. Neither of these explanations is particularly likely in light of other recent studies, leaving the plane of satellites problem as one of the more consequential open problems in galaxy formation and cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

The growth of intracluster light in XCS-HSC galaxy clusters from 0.1 < z < 0.5

ABSTRACT We estimate the intracluster light (ICL) component within a sample of 18 clusters detected in the XMM Cluster Survey (XCS) data using the deep (∼26.8 mag) Hyper Suprime-Cam Subaru Strategic Programme data release 1 i-band data. We apply a rest-frame μB = 25 mag arcsec−2 isophotal threshold to our clusters, below which we define light as the ICL within an aperture of RX,500 (X-ray estimate of R500) centred on the brightest cluster galaxy (BCG). After applying careful masking and corrections for flux losses from background subtraction, we recover ∼20 per cent of the ICL flux, approximately four times our estimate of the typical background at the same isophotal level (${\sim}5{{\ \rm per\ cent}}$). We find that the ICL makes up about ${\sim}24{{\ \rm per\ cent}}$ of the total cluster stellar mass on average (∼41 per cent including the flux contained in the BCG within 50 kpc); this value is well matched with other observational studies and semi-analytic/numerical simulations, but is significantly smaller than results from recent hydrodynamical simulations (even when measured in an observationally consistent way). We find no evidence for any links between the amount of ICL flux with cluster mass, but find a growth rate of 2–4 for the ICL between 0.1 < z < 0.5. We conclude that the ICL is the dominant evolutionary component of stellar mass in clusters from z ∼ 1. Our work highlights the need for a consistent approach when measuring ICL alongside the need for deeper imaging, in order to unambiguously measure the ICL across as broad a redshift range as possible (e.g. 10-yr stacked imaging from the Vera C. Rubin Observatory).

Furnell, Kate E.↗

Mass calibration of distant SPT galaxy clusters through expanded weak-lensing follow-up observations with HST, VLT, & Gemini-South

Expanding from previous work, we present weak-lensing (WL) measurements for a total sample of 30 distant (z median = 0.93) massive galaxy clusters from the South Pole Telescope Sunyaev–Zel’dovich (SPT-SZ) Survey, measuring galaxy shapes in Hubble Space Telescope (HST) Advanced Camera for Surveys images. We remove cluster members and preferentially select z ≳ 1.4 background galaxies via V - I colour, employing deep photometry from VLT/FORS2 and Gemini-South/GMOS. We apply revised calibrations for the WL shape measurements and the source redshift distribution to estimate the cluster masses. In combination with earlier Magellan/Megacam results for lower-redshifts clusters, we infer refined constraints on the scaling relation between the SZ detection significance and the cluster mass, in particular regarding its redshift evolution. The mass scale inferred from the WL data is lower by a factor $0.76^{+0.10}_{-0.14}$ (at our pivot redshift z = 0.6) compared to what would be needed to reconcile a flat Planck νΛCDM cosmology (in which the sum of the neutrino masses is a free parameter) with the observed SPT-SZ cluster counts. In order to sensitively test the level of (dis-)agreement between SPT clusters and Planck, further expanded WL follow-up samples are needed.

79 ASTRONOMY AND ASTROPHYSICS↗

The impact of halo concentration on the Sunyaev Zel’dovich effect signal from massive galaxy clusters

ABSTRACT The Sunyaev Zel’dovich (SZ) effect is sensitive to the pressure of ionized gas inside galaxy clusters, which is in turn controlled largely by the gravitational potential of the cluster. Changing the concentration parameter describing the cluster mass distribution impacts the gravitational potential and thus the cluster SZ signal, with implications for cosmological and other analyses of SZ-selected clusters. We investigate the concentration–SZ relation in theory and simulations. We find that the impact of concentration on the inner SZ profile (R ≲ 0.75R200c) can be captured with standard polytropic gas models. However, we find that such models do a poor job of reproducing the outer SZ profiles (R ≳ 0.75R200c) and the relation between the integrated SZ signal, Y, and concentration. This disagreement results from a sharp truncation of the gas pressure profile near the splashback radius, likely caused by virial shocks. We develop a simple description of the truncation that leads to a good match with the simulated SZ profiles out to several R200c for clusters of varying mass and concentration, and that also accurately predicts the concentration–Y relationship. Finally, we determine how inference of the linear bias parameter and splashback radius for SZ-selected clusters can be biased by ignoring the concentration dependence of the SZ signal, finding that bias to the former is essentially negligible, while bias to the latter can be as much as 2 per cent.

Astronomy & Astrophysics↗

Search for interacting galaxy clusters from SDSS DR-17 employing optimized friends-of-friends algorithm and multimessenger tracers

ABSTRACT In the theoretical framework of hierarchical structure formation, galaxy clusters evolve through continuous accretion and mergers of substructures. Cosmological simulations have revealed the best picture of the universe as a 3D filamentary network of dark-matter distribution called the cosmic web. Galaxy clusters are found to form at the nodes of this network and are the regions of high merging activity. Such mergers being highly energetic, contain a wealth of information about the dynamical evolution of structures in the Universe. Observational validation of this scenario needs a colossal effort to identify numerous events from all-sky surveys. Therefore, such efforts are sparse in literature and tend to focus on individual systems. In this work, we present an improved search algorithm for identifying interacting galaxy clusters and have successfully produced a comprehensive list of systems from SDSS DR-17. By proposing a set of physically motivated criteria, we classified these interacting clusters into two broad classes, ‘merging’ and ‘pre-merging/postmerging’ systems. Interestingly, as predicted by simulations, we found that most cases show cluster interaction along the prominent cosmic filaments of galaxy distribution (i.e. the proxy for dark matter filaments), with the most violent ones at their nodes. Moreover, we traced the imprint of interactions through multiband signatures, such as diffuse cluster emissions in radio or X-rays. Although we could not find direct evidence of diffuse emission from connecting filaments and ridges; our catalogue of interacting clusters will ease locating such faintest emissions as data from sensitive telescopes such as eROSITA or SKA, becomes accessible.

Oak, Tejas↗

Unravelling the orbits of cluster galaxy populations according to their dominant gas ionization source

ABSTRACT We investigate the kinematical and dynamical properties of cluster galaxy populations classified according to their dominant source of gas ionization, namely: star-forming (SF) galaxies, optical active galactic nuclei (AGNs), mixed SF plus AGN ionization (transition objects, T), and quiescent (Q) galaxies. We stack 8892 member galaxies from 336 relaxed galaxy clusters to build an ensemble cluster and estimate the observed projected profiles of numerical density and velocity dispersion, $\sigma _P(R)$, of each galaxy population. The MAMPOSSt code and the Jeans equations inversion technique are used to constrain the velocity anisotropy profiles of the galaxy populations in both parametric and non-parametric ways. We find that Q (SF) galaxies display the lowest (highest) typical cluster-centric distances and velocity dispersion values. Transition galaxies are more concentrated and tend to exhibit lower velocity dispersion values than SF galaxies. Galaxies that host an optical AGN are as concentrated as Q galaxies but display velocity dispersion values similar to those of the SF population. MAMPOSSt is able to find equilibrium solutions that successfully recover the observed $\sigma _P(R)$ profile only for the Q, T, and AGN populations. We find that the orbits of all populations are consistent with isotropy in the inner regions, becoming increasingly radial with the distance from the cluster centre. These results suggest that Q galaxies are in equilibrium within their clusters, while SF galaxies have more recently arrived in the cluster environment. Finally, the T and AGN populations appear to be in an intermediate dynamical state between those of the SF and Q populations.

Valk, Greique A. (ORCID:0009000827731299)↗