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DOE OSTI2025

Old neutron stars as a new probe of relic neutrinos and sterile neutrino dark matter

We study the kinetic cooling (heating) of old neutron stars due to coherent scattering with relic neutrinos (sterile neutrino dark matter) via Standard Model neutral-current interactions. We take into account several important physical effects, such as coherent enhancement, gravitational clustering, neutron degeneracy, Pauli blocking and weak potential. We find that the anomalous cooling of neutron stars due to relic neutrino scattering is difficult to observe. However, the anomalous heating of neutron stars due to coherent scattering with keV-scale sterile neutrino dark matter may be observed by current and future telescopes operating in the optical to near-infrared frequency band, such as the James Webb Space Telescope (JWST), which would probe hitherto unexplored parameter space in the sterile neutrino mass-mixing plane. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1991

Extragalactic x ray source counts

Extragalactic x-ray source counts carry information about the luminosity function and cosmic evolution of galaxies, BL Lac objects, Seyfort galaxies, and quasars. We discuss two available x-ray source samples with complete optical identifications and redshifts. We find evidence for instrumental bias in the detection of clusters for cosmic evolution of quasars, and of absorption effects in low luminosity Seyfert galaxies. Modest spectral and density evolution of Seyfort galaxies would allow the soft x-ray background to be made up entirely of discrete sources. We present a source count prognosis for the Advanced X-ray Astrophysics Facility (AXAF) energy range 0.5 to 10 keV.

Schmidt, Maarten↗

NASA NTRS1995

Wavelet transform analysis of the small-scale X-ray structure of the cluster Abell 1367

We have developed a new technique based on a wavelet transform analysis to quantify the small-scale (less than a few arcminutes) X-ray structure of clusters of galaxies. We apply this technique to the ROSAT position sensitive proportional counter (PSPC) and Einstein high-resolution imager (HRI) images of the central region of the cluster Abell 1367 to detect sources embedded within the diffuse intracluster medium. In addition to detecting sources and determining their fluxes and positions, we show that the wavelet analysis allows a characterization of the sources extents. In particular, the wavelet scale at which a given source achieves a maximum signal-to-noise ratio in the wavelet images provides an estimate of the angular extent of the source. To account for the widely varying point response of the ROSAT PSPC as a function of off-axis angle requires a quantitative measurement of the source size and a comparison to a calibration derived from the analysis of a Deep Survey image. Therefore, we assume that each source could be described as an isotropic two-dimensional Gaussian and used the wavelet amplitudes, at different scales, to determine the equivalent Gaussian Full Width Half-Maximum (FWHM) (and its uncertainty) appropriate for each source. In our analysis of the ROSAT PSPC image, we detect 31 X-ray sources above the diffuse cluster emission (within a radius of 24 min), 16 of which are apparently associated with cluster galaxies and two with serendipitous, background quasars. We find that the angular extents of 11 sources exceed the nominal width of the PSPC point-spread function. Four of these extended sources were previously detected by Bechtold et al. (1983) as 1 sec scale features using the Einstein HRI. The same wavelet analysis technique was applied to the Einstein HRI image. We detect 28 sources in the HRI image, of which nine are extended. Eight of the extended sources correspond to sources previously detected by Bechtold et al. Overall, using both the PSPC and the HRI observations, we detect 16 extended features, of which nine have galaxies coincided with the X-ray-measured positions (within the positional error circles). These extended sources have luminosities lying in the range (3 - 30) x 10(exp 40) ergs/s and gas masses of approximately (1 - 30) x 10(exp 9) solar mass, if the X-rays are of thermal origin. We confirm the presence of extended features in A1367 first reported by Bechtold et al. (1983). The nature of these systems remains uncertain. The luminosities are large if the emission is attributed to single galaxies, and several of the extended features have no associated galaxy counterparts. The extended features may be associated with galaxy groups, as suggested by Canizares, Fabbiano, & Trinchieri (1987), although the number required is large.

Grebeney, S. A.↗

NASA NTRS1998

WFPC2 Observations of Star Clusters in the Magellanic Clouds: The Oldest Star Clusters in the Small Magellanic Cloud - Report 2

We present our analysis of archival Hubble Space Telescope Wide Field Planetary Camera 2 (WFPC2) observations in F45OW ( approximately B) and F555W (approximately V) of the intermediate-age populous star clusters NGC 121, NGC 339, NGC 361, NGC 416, and Kron 3 in the Small Magellanic Cloud. We use published photometry of two other SMC populous star clusters, Lindsay 1 and Lindsay 113, to investigate the age sequence of these seven populous star clusters in order to improve our understanding of the formation chronology of the SMC. We analyzed the V vs B-V and M(sub V) vs (B-V)(sub 0) color-magnitude diagrams of these populous Small Magellanic Cloud star clusters using a variety of techniques and determined their ages, metallicities, and reddenings. These new data enable us to improve the age-metallicity relation of star clusters in the Small Magellanic Cloud. In particular, we find that a closed-box continuous star-formation model does not reproduce the age-metallicity relation adequately. However, a theoretical model punctuated by bursts of star formation is in better agreement with the observational data presented herein.

Mighell, Kenneth J.↗

NASA NTRS2019

Application of High-Dimensional Fuzzy K-Means Cluster Analysis to CALIOP/CALIPSO Version 4.1 Cloud-Aerosol Discrimination

This study applies fuzzy k-means (FKM) cluster analyses to a subset of the parameters reported in the CALIPSO lidar level 2 data products in order to classify the layers detected as either clouds or aerosols. The results obtained are used to assess the reliability of the cloud–aerosol discrimination (CAD) scores reported in the version 4.1 release of the CALIPSO data products. FKM is an unsupervised learning algorithm, whereas the CALIPSO operational CAD algorithm (COCA) takes a highly supervised approach. Despite these substantial computational and architectural differences, our statistical analyses show that the FKM classifications agree with the COCA classifications for more than 94 % of the cases in the troposphere. This high degree of similarity is achieved because the lidar-measured signatures of the majority of the clouds and the aerosols are naturally distinct, and hence objective methods can independently and effectively separate the two classes in most cases. Classification differences most often occur in complex scenes (e.g., evaporating water cloud filaments embedded in dense aerosol) or when observing diffuse features that occur only intermittently (e.g., volcanic ash in the tropical tropopause layer). The two methods examined in this study establish overall classification correctness boundaries due to their differing algorithm uncertainties. In addition to comparing the outputs from the two algorithms, analysis of sampling, data training, performance measurements, fuzzy linear discriminants, defuzzification, error propagation, and key parameters in feature type discrimination with the FKM method are further discussed in order to better understand the utility and limits of the application of clustering algorithms to space lidar measurements. In general, we find that both FKM and COCA classification uncertainties are only minimally affected by noise in the CALIPSO measurements, though both algorithms can be challenged by especially complex scenes containing mixtures of discrete layer types. Our analysis results show that attenuated backscatter and color ratio are the driving factors that separate water clouds from aerosols; backscatter intensity, depolarization, and mid-layer altitude are most useful in discriminating between aerosols and ice clouds; and the joint distribution of backscatter intensity and depolarization ratio is critically important for distinguishing ice clouds from water clouds.

Zeng, Shan↗

DOE OSTI2025

Selection function of clusters in Dark Energy Survey year 3 data from cross-matching with South Pole Telescope detections

Context. Galaxy clusters selected based on overdensities of galaxies in photometric surveys provide the largest cluster samples. However, modeling the selection function of such samples is complicated by noncluster members projected along the line of sight (projection effects) and the potential detection of unvirialized objects (contamination). Aims. We empirically constrained the magnitude of these effects by cross-matching galaxy clusters selected in the Dark Energy Survey data with the redMaPPer algorithm with significant detections in three South Pole Telescope surveys (SZ, pol-ECS, pol-500d). Methods. For matched clusters, we augmented the redMaPPer catalog with the SPT detection significance. For unmatched objects we used the SPT detection threshold as an upper limit on the SZe signature. Using a Bayesian population model applied to the collected multiwavelength data, we explored various physically motivated models to describe the relationship between observed richness and halo mass. Results. Our analysis reveals a clear preference for models with an additional skewed scatter component associated with projection effects over a purely log-normal scatter model. We rule out significant contamination by unvirialized objects at the high-richness end of the sample. While dedicated simulations offer a well-fitting calibration of projection effects, our findings suggest the presence of redshift-dependent trends that these simulations may not have captured. Our findings highlight that modeling the selection function of optically detected clusters remains a complicated challenge that requires a combination of simulation and data-driven approaches.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2001

Galaxy Cluster Gas Mass Fractions From Sunyaev-Zeldovich Effect Measurements: Constraints on Omega(M)

Using sensitive centimeter-wave receivers mounted on the Owens Valley Radio Observatory and Berkeley-Illinois-Maryland-Association millimeter arrays, we have obtained interferometric measurements of the Sunyaev-Zeldovich(SZ) effect toward massive galaxy clusters. We use the SZ data to determine the pressure distribution of the cluster gas and, in combination with published X-ray temperatures, to infer the gas mass and total gravitational mass of 18 clusters. The gas mass fraction, f(g), is calculated for each cluster and is extrapolated to the fiducial radius r(500) using the results of numerical simulations. The mean f(g) within r(500) is 0.081(+ 0.009 / - 0.011) per h(100) (statistical uncertainty at 68% confidence level, assuming Omega(M) = 0.3, Omega(Lambda) = 0.7). We discuss possible sources of systematic errors in the mean f(sub g) measurement. We derive an upper limit for Omega(M) from this sample under the assumption that the mass composition of clusters within r(500) reflects the universal mass composition: Omega(M)h is less than or equal to Omega(B)/f(g). The gas mass fractions depend on cosmology through the angular diameter distance and the r(500) correction factors. For a flat universe (Omega(Lambda) is identical with 1 - Omega(M)) and h = 0.7, we find the measured gas mass fractions are consistent with Omega(M) is less than 0.40, at 68% confidence. Including estimates of the baryons contained in galaxies and the baryons which failed to become bound during the cluster formation process, we find Omega(M) is approximately equal to 0.25.

Grego, Laura↗

NASA NTRS1995

Ultraviolet radiation from evolved stellar populations. 2: The ultraviolet upturn phenomenon in elliptical galaxies

We discuss the far-ultraviolet upturn phenomenon (UVX) observed in elliptical galaxies and spiral galaxy bulges. Our premise is the UV radiation from these systems emanates primarily from extreme horizontal branch (EHB) stars and their progeny. We derive the broad-band UV colors 1500-V and 2500-V for globular clusters and elliptical galaxies from the available satellite data and investigate color-color and color-line strength correlation. Clusters can be bluer than any galaxy in 15-V and 25-V, implying larger hot star populations, but galaxies are significantly bluer than clusters in 15-25 at a given 15-V. We attribute this primarily to the effect of metal abundance on the mid-UV (2500 A) light. These redder colors of the galaxies also imply that the UVX in galaxies is not produced by metal-poor subpopulations similar to the clusters. We devlop a simple spectral synthesis formulation for all phases of single star evolution from the zero-age main sequence (ZAMS) to the white dwarf cooling track that requires only one or two parameters for each choice of age and abundance. We provide the ingredients necessary for constructing models with arbitrary horizontal branch (HB) morphologies in the age range 2 less than t less than 20 Gyr and for six metallicities in the range -2.26 less than (Fe/H) less than 0.58; we also consider the efect of enhanced Y in metal-rich models. The maximum lifetime UV output is produced by EHB stars with (M(sub env))(sup 0) approximately 0.02 solar mass and can be up to 30 times higher than for post-asymptotic giant branch (P-AGB) stars. The ultraviolet output of old populations is governed primarily by the distribution of (M(sub env))(sup 0)P(M(sub env))(sup 0), on the ZAHB. The UV output is not very sensitive to (Fe/H) or to Y, but it can change very rapidly with (M(sub env))(sup 0). Thus it is extremely sensitive to the precise nature of giant-branch mass loss. Our models use simple descriptions of P(M(sub env))(sup 0) to bracket the colors produced from any real distribution of stars. Our models accurately predict the range of UV colors observed for the globular clusters, given known constraints on their age, abundances, and HB morphologies. We find that models with (Fe/H) greater than or = 0 that do not contain EHB stars cannot reproduce the colors of most of the galaxies. The models also predict that the fraction of the far-UV light from P-AGB stars, which are spatially resolvable in nearby galaxies, is approximately 70% and approximately 20% for moderate UVX and strong UVX systems, respectively. We find that 25-V, but not 15-V, is sensitive to the age and abundance, though these cannot always be cleanly distinguished. The galaxy colors place limits of (Fe/H) greater than -0.5 and less than 15% on the contribution of globular cluster-type populations to the V light. Galaxy colors are consistent with solar-abundance models with ages in the range 6-14 Gyr. We discuss several implications of the observations and the models, including the question of light metal versus iron peak enhancements in galaxies, whether the UV color-Mg(sub 2) correlation is continuous or discrete, effects of helium abundnace on the UVX, and the key question of whether red giant branch mass loss can be large enough to produce the necessary EHB population in the strong UVX galaxies.

Dorman, Ben↗

NASA NTRS2002

Distant Cluster Hunting: A Comparison of X-Ray and Optical Cluster Detection Techniques and Catalogs from the ROSAT Optical X-Ray Survey - II

We present and analyze the optical and X-ray catalogs of moderate-redshift cluster candidates from the ROSA TOptical X-Ray Survey, or ROXS. The survey covers the sky area contained in the fields of view of 23 deep archival ROSA T PSPC pointings, 4.8 square degrees. The cross-correlated cluster catalogs were con- structed by comparing two independent catalogs extracted from the optical and X-ray bandpasses, using a matched-filter technique for the optical data and a wavelet technique for the X-ray data. We cross-identified cluster candidates in each catalog. As reported in Paper 1, the matched-filter technique found optical counter- parts for at least 60% (26 out of 43) of the X-ray cluster candidates; the estimated redshifts from the matched filter algorithm agree with at least 7 of 1 1 spectroscopic confirmations (Az 5 0.10). The matched filter technique. with an imaging sensitivity of ml N 23, identified approximately 3 times the number of candidates (155 candidates, 142 with a detection confidence >3 u) found in the X-ray survey of nearly the same area. There are 57 X-ray candidates, 43 of which are unobscured by scattered light or bright stars in the optical images. Twenty-six of these have fairly secure optical counterparts. We find that the matched filter algorithm, when applied to images with galaxy flux sensitivities of mI N 23, is fairly well-matched to discovering z 5 1 clusters detected by wavelets in ROSAT PSPC exposures of 8000-60,000 s. The difference in the spurious fractions between the optical and X-ray (30%) and IO%, respectively) cannot account for the difference in source number. In Paper I, we compared the optical and X-ray cluster luminosity functions and we found that the luminosity functions are consistent if the relationship between X-ray and optical luminosities is steep (Lx o( L&f). Here, in Paper 11, we present the cluster catalogs and a numerical simulation of the ROXS. We also present color-magnitude plots for several of the cluster candidates, and examine the prominence of the red sequence in each. We find that the X-ray clusters in our survey do not all have a prominent red sequence. We conclude that while the red sequence may be a distinct feature in the color-magnitude plots for virialized massive clusters, it may be less distinct in lower mass clusters of galaxies at even moderate redshifts. Multiple, complementary methods of selecting and defining clusters may be essential, particularly at high redshift where all methods start to run into completeness limits, incomplete understanding of physical evolution, and projection effects.

Donahue, Megan↗

DOE OSTI2024

Impact of property covariance on cluster weak lensing scaling relations

ABSTRACT We present an investigation into a hitherto unexplored systematic that affects the accuracy of galaxy cluster mass estimates with weak gravitational lensing. Specifically, we study the covariance between the weak lensing signal, ΔΣ, and the ‘true’ cluster galaxy number count, Ngal, as measured within a spherical volume that is void of projection effects. By quantifying the impact of this covariance on mass calibration, this work reveals a significant source of systematic uncertainty. Using the MDPL2 simulation with galaxies traced by the SAGE semi-analytic model, we measure the intrinsic property covariance between these observables within the three-dimensional vicinity of the cluster, spanning a range of dynamical mass and redshift values relevant for optical cluster surveys. Our results reveal a negative covariance at small radial scales (R ≲ R200c) and a null covariance at large scales (R ≳ R200c) across most mass and redshift bins. We also find that this covariance results in a $2{\!-\!}3~{{\ \rm per\ cent}}$ bias in the halo mass estimates in most bins. Furthermore, by modelling Ngal and ΔΣ as multi-(log)-linear equations of secondary halo properties, we provide a quantitative explanation for the physical origin of the negative covariance at small scales. Specifically, we demonstrate that the Ngal–ΔΣ covariance can be explained by the secondary properties of haloes that probe their formation history. We attribute the difference between our results and the positive bias seen in other works with (mock)-cluster finders to projection effects. These findings highlight the importance of accounting for the covariance between observables in cluster mass estimation, which is crucial for obtaining accurate constraints on cosmological parameters.

Astronomy & Astrophysics↗

DOE OSTI2026

Disentangling multiple gas kinematic drivers in the Perseus galaxy cluster

Galaxy clusters, the Universe’s largest halo structures, are filled with an X-ray-emitting gas with a temperature between 10 million and 100 million degrees. Their evolution is shaped by energetic processes such as feedback from supermassive black holes (SMBHs) and mergers with other cosmic structures. The imprints of these processes on gas kinematics remain largely unknown, restricting our understanding of energy conversion within clusters4. High-resolution spectral mapping with the X-Ray Imaging and Spectroscopy Mission (XRISM) observatory offers a way forward. Here we present XRISM kinematic measurements of the Perseus cluster, radially covering the extent of its cool core. We find direct evidence for at least two dominant drivers of gas motions operating on distinct physical scales: a small-scale driver in the inner approximately 60 kpc, probably associated with the SMBH feedback; and a large-scale driver in the outer core, powered by mergers. This finding suggests that, during the active phase, SMBH feedback drives gas motions, which, if fully dissipated into heat, could have a substantial role in offsetting radiative cooling losses in the Perseus core. Furthermore, our study underscores the necessity of kinematic mapping observations of extended sources to robustly characterize the velocity fields and their role in the evolution of massive halos. It further offers a kinematic diagnostic for SMBH feedback models.

Astronomy and AstroPhysics↗

NASA NTRS2014

Three Gravitationally Lensed Supernovae Behind Clash Galaxy Clusters

We report observations of three gravitationally lensed supernovae (SNe) in the Cluster Lensing And Supernova survey with Hubble (CLASH) Multi-Cycle Treasury program. These objects, SN CLO12Car (z = 1.28), SN CLN12Did (z = 0.85), and SN CLA11Tib (z = 1.14), are located behind three different clusters, MACSJ1720.2+3536 (z = 0.391), RXJ1532.9+3021 (z = 0.345), and A383 (z = 0.187), respectively. Each SN was detected in Hubble Space Telescope optical and infrared images. Based on photometric classification, we find that SNe CLO12Car and CLN12Did are likely to be Type Ia supernovae (SNe Ia), while the classification of SN CLA11Tib is inconclusive. Using multi-color light-curve fits to determine a standardized SN Ia luminosity distance, we infer that SN CLO12Car was approx. 1.0 +/- 0.2 mag brighter than field SNe Ia at a similar redshift and ascribe this to gravitational lens magnification. Similarly, SN CLN12Did is approx. 0.2 +/- 0.2 mag brighter than field SNe Ia. We derive independent estimates of the predicted magnification from CLASH strong+weak-lensing maps of the clusters (in magnitude units, 2.5 log10 μ): 0.83 +/- 0.16 mag for SN CLO12Car, 0.28 +/- 0.08 mag for SN CLN12Did, and 0.43 +/- 0.11 mag for SN CLA11Tib. The two SNe Ia provide a new test of the cluster lens model predictions: we find that the magnifications based on the SN Ia brightness and those predicted by the lens maps are consistent. Our results herald the promise of future observations of samples of cluster-lensed SNe Ia (from the ground or space) to help illuminate the dark-matter distribution in clusters of galaxies, through the direct determination of absolute magnifications.

Three↗

NASA NTRS2013

The Optical Green Valley Versus Mid-infrared Canyon in Compact Groups

Compact groups of galaxies provide conditions similar to those experienced by galaxies in the earlier universe. Recent work on compact groups has led to the discovery of a dearth of mid-infrared transition galaxies (MIRTGs) in Infrared Array Camera (3.6-8.0 micrometers) color space as well as at intermediate specific star formation rates. However, we find that in compact groups these MIRTGs have already transitioned to the optical ([g−r]) red sequence. We investigate the optical color-magnitude diagram (CMD) of 99 compact groups containing 348 galaxies and compare the optical CMD with mid-infrared (mid-IR) color space for compact group galaxies. Utilizing redshifts available from Sloan Digital Sky Survey, we identified new galaxy members for four groups. By combining optical and mid-IR data, we obtain information on both the dust and the stellar populations in compact group galaxies. We also compare with more isolated galaxies and galaxies in the Coma Cluster, which reveals that, similar to clusters, compact groups are dominated by optically red galaxies. While we find that compact group transition galaxies lie on the optical red sequence, LVL (Local Volume Legacy) + (plus) SINGS (Spitzer Infrared Nearby Galaxies Survey) mid-IR (infrared) transition galaxies span the range of optical colors. The dearth of mid-IR transition galaxies in compact groups may be due to a lack of moderately star-forming low mass galaxies; the relative lack of these galaxies could be due to their relatively small gravitational potential wells. This makes them more susceptible to this dynamic environment, thus causing them to more easily lose gas or be accreted by larger members.

X-rays: binaries↗

NASA NTRS1993

X-ray emission from a complete sample of Abell clusters of galaxies

The ROSAT All-Sky Survey (RASS) is used to investigate the X-ray properties of a complete sample of Abell clusters with measured redshifts and accurate positions. The sample comprises the 145 clusters within a 561 square degree region at high galactic latitude. The mean redshift is 0.17. This sample is especially well suited to be studied within the RASS since the mean exposure time is higher than average and the mean galactic column density is very low. These together produce a flux limit of about 4.2 x 10(exp -13) erg/sq cm/s in the 0.5 to 2.5 keV energy band. Sixty-six (46%) individual clusters are detected at a significance level higher than 99.7% of which 7 could be chance coincidences of background or foreground sources. At redshifts greater than 0.3 six clusters out of seven (86%) are detected at the same significance level. The detected objects show a clear X-ray luminosity -- galaxy count relation with a dispersion consistent with other external estimates of the error in the counts. By analyzing the excess of positive fluctuations of the X-ray flux at the cluster positions, compared with the fluctuations of randomly drawn background fields, it is possible to extend these results below the nominal flux limit. We find 80% of richness R greater than or = 0 and 86% of R greater than or = 1 clusters are X-ray emitters with fluxes above 1 x 10(exp -13) erg/sq cm/s. Nearly 90% of the clusters meeting the requirements to be in Abell's statistical sample emit above the same level. We therefore conclude that almost all Abell clusters are real clusters and the Abell catalog is not strongly contaminated by projection effects. We use the Kaplan-Meier product limit estimator to calculate the cumulative X-ray luminosity function. We show that the shape of the luminosity functions are similiar for different richness classes, but the characteristic luminosities of richness 2 clusters are about twice those of richness 1 clusters which are in turn about twice those of richness 0 clusters. This result is another manifestation of the luminosity -- richness elation for Abell clusters.

Briel, Ulrich G.↗

DOE OSTI2024

Self-interacting Dark Matter, Core Collapse, and the Galaxy–Galaxy Strong-lensing Discrepancy

Abstract Gravitational lensing by galaxy clusters has emerged as a powerful tool to probe the standard cold dark matter (CDM) paradigm of structure formation in the Universe. Despite the remarkable explanatory power of CDM on large scales, tensions with observations on small scales have been reported. Recent studies find that the observational cross section for galaxy–galaxy strong lensing (GGSL) in clusters exceeds the CDM prediction by more than an order of magnitude and persists even after rigorous examination of various possible systematics. We investigate the impact of modifying the internal structure of cluster dark matter subhalos on GGSL and report that altering the inner density profile, given by r γ , to steeper slopes with γ > 2.5 can alleviate the GGSL discrepancy. This is steeper than slopes obtained with the inclusion of the contribution of baryons to the inner regions of these subhalos. Deviating from the γ ~ 1.0 cusps that CDM predicts, these steeper slopes could arise in models of self-interacting dark matter undergoing core collapse. Our results motivate additional study of subhalo core collapse in dense cluster environments.

Dutra, Isaque (ORCID:0000000170404930)↗

DOE OSTI2024

CO 2 hydrogenation over rhodium cluster catalyst nucleated within a manganese oxide framework

Rhodium-based manganese oxide frameworks were explored as a prototype for carbon dioxide reactive capture and conversion. Three-dimensional frameworks of MnOx were utilized as support structures to isolate Rh metal centers. V, Na, and Zn were introduced as counterions to stabilize the structure and for their beneficial effect as promoters. Here, with this multicomponent catalyst, Rh active centers with MnOxs and varied counterions, we were able to selectively tune the catalytic performance of the material via the choice of counterion and structure of the host material. With cryptomelane-type tunnel manganese oxides octahedral molecular sieve (OMS2), we found that Rh-V-OMS2 was highly stable even after 48 hours on stream with a reaction rate of around 1.5x10 -4 mol CO 2 /g Rh /s, surpassing the net reactivity of other initially more active combinations. Furthermore, during CO 2 hydrogenation, in situ XAFS showed that single Rh atoms nucleated into nanoparticles/ sub-nanometer clusters with a coordination number of 5.5 or less. Our finding of the correlation between the reaction rate and particle size offers the potential for enhanced control over the reaction rate by tuning particle size. Our activity study with control experiments demonstrates that the activities of the catalysts are proved due to the unique metal support interaction offered by the Rh-X-MnO.

10 SYNTHETIC FUELS↗

DOE OSTI2024

Structural Insight into a Sixteen Cyanine Dye Construct via Exciton–Exciton Annihilation

Molecular (dye) aggregates play a prominent role in light harvesting and are of interest in quantum information science; however, there are limited reports hat programmably assemble many (>4) dye aggregates featuring strong coupling and exciton delocalization. Using oligonucleotides with four Cy5s covalently linked in series along the phosphate backbone, we bring four, eight, and sixteen Cy5s in close proximity by assembling four-armed junctions. We elucidate their structure via gel electrophoresis and steady-state and transient optical spectroscopy. We find that Cy5 has a strong propensity to form tetramer clusters, where the exciton is delocalized over all four Cy5s, that the exciton is not delocalized beyond tetramer clusters in the eight and sixteen Cy5 constructs, and that the sixteen Cy5 construct may consist of pairs of tetramer clusters that are isolated from one another. Many-dye aggregates such as these may serve useful as antennae for their intense light absorption and spatially directed energy transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Radiation Damage Mechanisms in Oxide-Based Solid Electrolytes

Ion implantation is a promising approach to mitigate dendrite formation in metal anode solid-state batteries by modifying the chemical and mechanical properties of oxide-based electrolyte surfaces such as Li 7 La 3 Zr 2 O 12 (LLZO). Yet, the detailed atomistic mechanisms and potentially adverse side effects of ion implantation remain poorly understood. In this study, we used molecular dynamics simulations to elucidate the evolution of radiation-induced damage in LLZO. The results reveal that radiation damage is primarily driven by recoils from heavy ions in the lattice, producing antisite defect clusters whose density decreases as recoil energy increases, a counterintuitive finding that highlights complex cascade fragmentation. Radiation-induced disruption to the crystal sublattice connectivity, especially in the La–O network critical for Li-ion transport, leads to degradation in ionic pathways at low energies, while higher energy cascades can form new conduction pathways via enhanced Zr–O network connectivity. These findings provide a mechanistic foundation for optimizing ion implantation strategies that balance disruption of the lattice for surface modification for dendrite resistance with preservation of essential ionic conductivity.

Defects↗