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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

CLASH: Weak-lensing shear-and-magnification analysis of 20 galaxy clusters

We present a joint shear-and-magnification weak-lensing analysis of a sample of 16 X-ray-regular and 4 high-magnification galaxy clusters at 0.19 ≲ z ≲ 0.69 selected from the Cluster Lensing And Supernova survey with Hubble (CLASH). Our analysis uses wide-field multi-color imaging, taken primarily with Suprime-Cam on the Subaru Telescope. From a stacked-shear-only analysis of the X-ray-selected subsample, we detect the ensemble-averaged lensing signal with a total signal-to-noise ratio of ≅ 25 in the radial range of 200-3500 kpc h {sup –1}, providing integrated constraints on the halo profile shape and concentration-mass relation. The stacked tangential-shear signal is well described by a family of standard density profiles predicted for dark-matter-dominated halos in gravitational equilibrium, namely, the Navarro-Frenk-White (NFW), truncated variants of NFW, and Einasto models. For the NFW model, we measure a mean concentration of c{sub 200c}=4.01{sub −0.32}{sup +0.35} at an effective halo mass of M{sub 200c}=1.34{sub −0.09}{sup +0.10}×10{sup 15} M{sub ⊙}. We show that this is in excellent agreement with Λ cold dark matter (ΛCDM) predictions when the CLASH X-ray selection function and projection effects are taken into account. The best-fit Einasto shape parameter is α{sub E}=0.191{sub −0.068}{sup +0.071}, which is consistent with the NFW-equivalent Einasto parameter of ∼0.18. We reconstruct projected mass density profiles of all CLASH clusters from a joint likelihood analysis of shear-and-magnification data and measure cluster masses at several characteristic radii assuming an NFW density profile. We also derive an ensemble-averaged total projected mass profile of the X-ray-selected subsample by stacking their individual mass profiles. The stacked total mass profile, constrained by the shear+magnification data, is shown to be consistent with our shear-based halo-model predictions, including the effects of surrounding large-scale structure as a two-halo term, establishing further consistency in the context of the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE CLUSTER AGES EXPERIMENT (CASE). VII. ANALYSIS OF TWO ECLIPSING BINARIES IN THE GLOBULAR CLUSTER NGC 6362

We use photometric and spectroscopic observations of the detached eclipsing binaries V40 and V41 in the globular cluster NGC 6362 to derive masses, radii, and luminosities of the component stars. The orbital periods of these systems are 5.30 and 17.89 days, respectively. The measured masses of the primary and secondary components (M{sub p}, M{sub s}) are (0.8337 ± 0.0063, 0.7947 ± 0.0048) M{sub ⊙} for V40 and (0.8215 ± 0.0058, 0.7280 ± 0.0047) M{sub ⊙} for V41. The measured radii (R{sub p}, R{sub s}) are (1.3253 ± 0.0075, 0.997 ± 0.013) R{sub ⊙} for V40 and (1.0739 ± 0.0048, 0.7307 ± 0.0046) R{sub ⊙} for V41. Based on the derived luminosities, we find that the distance modulus of the cluster is 14.74 ± 0.04 mag—in good agreement with 14.72 mag obtained from color–magnitude diagram (CMD) fitting. We compare the absolute parameters of component stars with theoretical isochrones in mass–radius and mass–luminosity diagrams. For assumed abundances [Fe/H] = −1.07, [α/Fe] = 0.4, and Y = 0.25 we find the most probable age of V40 to be 11.7 ± 0.2 Gyr, compatible with the age of the cluster derived from CMD fitting (12.5 ± 0.5 Gyr). V41 seems to be markedly younger than V40. If independently confirmed, this result will suggest that V41 belongs to the younger of the two stellar populations recently discovered in NGC 6362. The orbits of both systems are eccentric. Given the orbital period and age of V40, its orbit should have been tidally circularized some ∼7 Gyr ago. The observed eccentricity is most likely the result of a relatively recent close stellar encounter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Estimating Cosmological Constraints from Galaxy Cluster Abundance using Simulation-Based Inference

Inferring the values and uncertainties of cosmological parameters in a cosmology model is of paramount importance for modern cosmic observations. In this paper, we use the simulation-based inference (SBI) approach to estimate cosmological constraints from a simplified galaxy cluster observation analysis. Using data generated from the Quijote simulation suite and analytical models, we train a machine learning algorithm to learn the probability function between cosmological parameters and the possible galaxy cluster observables. The posterior distribution of the cosmological parameters at a given observation is then obtained by sampling the predictions from the trained algorithm. Our results show that the SBI method can successfully recover the truth values of the cosmological parameters within the 2σ limit for this simplified galaxy cluster analysis, and acquires similar posterior constraints obtained with a likelihood-based Markov Chain Monte Carlo method, the current state-of the-art method used in similar cosmological studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Dark Energy Survey Year 1 Results: Cosmological Constraints from Cluster Abundances, Weak Lensing, and Galaxy Correlations

We present the first joint analysis of cluster abundances and auto or cross-correlations of three cosmic tracer fields: galaxy density, weak gravitational lensing shear, and cluster density split by optical richness. From a joint analysis (4×2pt+N) of cluster abundances, three cluster cross-correlations, and the auto correlations of the galaxy density measured from the first year data of the Dark Energy Survey, we obtain Ωm=0.305-0.038+0.055 and σ8=0.783-0.054+0.064. This result is consistent with constraints from the DES-Y1 galaxy clustering and weak lensing two-point correlation functions for the flat νΛCDM model. Consequently, we combine cluster abundances and all two-point correlations from across all three cosmic tracer fields (6×2pt+N) and find improved constraints on cosmological parameters as well as on the cluster observable-mass scaling relation. This analysis is an important advance in both optical cluster cosmology and multiprobe analyses of upcoming wide imaging surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A Generalizable Evaluated Approach, Applying Advanced Geospatial Statistical Methods, to Identify High Lead Exposure Locations at Census Tract Scale: Michigan Case Study

BACKGROUND: Despite great progress in reducing environmental lead (Pb) levels, many children in the United States are still being exposed. OBJECTIVE: Our aim was to develop a generalizable approach for systematically identifying, verifying, and analyzing locations with high prevalence of children’s elevated blood Pb levels (EBLLs) and to assess available Pb models/indices as surrogates, using a Michigan case study. METHODS: We obtained ~1:9 million BLL test results of children <6 years of age in Michigan from 2006–2016; we then evaluated them for data representativeness by comparing two percentage EBLL (%EBLL) rates (number of children tested with EBLL divided by both number of children tested and total population). We analyzed %EBLLs across census tracts over three time periods and between two EBLL reference values (≥5 vs. ≥10 μg/dL) to evaluate consistency. Locations with high %EBLLs were identified by a top 20 percentile method and a Getis-Ord Gi* geospatial cluster “hotspot” analysis. For the locations identified, we analyzed convergences with three available Pb exposure models/indices based on old housing and sociodemographics. RESULTS: Analyses of 2014–2016 %EBLL data identified 11 Michigan locations via cluster analysis and 80 additional locations via the top 20 percentile method and their associated census tracts. Data representativeness and consistency were supported by a 0.93 correlation coefficient between the two EBLL rates over 11 y, and a Kappa score of ~0:8 of %EBLL hotspots across the time periods (2014–2016) and reference values. Many EBLL hotspot locations converge with current Pb exposure models/indices; others diverge, suggesting additional Pb sources for targeted interventions. DISCUSSION: This analysis confirmed known Pb hotspot locations and revealed new ones at a finer geographic resolution than previously available, using advanced geospatial statistical methods and mapping/visualization. It also assessed the utility of surrogates in the absence of blood Pb data. This approach could be applied to other states to inform Pb mitigation and prevention efforts. https://doi.org/10.1289/EHP9705

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

RELICS: Strong Lensing Analysis of the Galaxy Clusters Abell S295, Abell 697, MACS J0025.4-1222, and MACS J0159.8-0849

In this work, we present a strong lensing analysis of four massive galaxy clusters imaged with the Hubble Space Telescope in the Reionization Lensing Cluster Survey. We use a light-traces-mass technique to uncover sets of multiple images and constrain the mass distribution of the clusters. These mass models are the first published for Abell S295 and MACS J0159.8-0849 and are improvements over previous models for Abell 697 and MACS J0025.4-1222. Our analysis for MACS J0025.4-1222 and Abell S295 shows a bimodal mass distribution supporting the merger scenarios proposed for these clusters. The updated model for MACS J0025.4-1222 suggests a substantially smaller critical area than previously estimated. For MACS J0159.8-0849 and Abell 697, we find a single peak and relatively regular morphology revealing fairly relaxed clusters. Despite being less prominent lenses, three of these clusters seem to have lensing strengths, i.e., cumulative area above certain magnification, similar to those of the Hubble Frontier Fields clusters (e.g., A(μ > 5) ~ 1–3 arcmin 2 , A(μ > 10) ~ 0.5–1.5 arcmin 2 ), which in part can be attributed to their merging configurations. We make our lens models publicly available through the Mikulski Archive for Space Telescopes. Finally, using Gemini-N/GMOS spectroscopic observations, we detect a single emission line from a high-redshift J 125 ≃ 25.7 galaxy candidate lensed by Abell 697. While we cannot rule out a lower-redshift solution, we interpret the line as Lyα at z = 5.800 ± 0.001, in agreement with its photometric redshift and dropout nature. Within this scenario, we measure a Lyα rest-frame equivalent width of 52 ± 22 Å and an observed Gaussian width of 117 ± 15 km s -1 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Joint Strong and Weak Lensing Analysis of the Massive Cluster Field J0850+3604

In this work, we present a combined strong and weak lensing analysis of the J085007.6+360428 (J0850) field, which contains the massive cluster Zwicky 1953. This field was selected for its high projected concentration of luminous red galaxies. Using Subaru/Suprime-Cam ${{BVR}}_{c}{I}_{c}{i}^{\prime }{z}^{\prime }$ imaging and MMT/Hectospec spectroscopy, we first perform a weak lensing shear analysis to constrain the mass distribution in this field, including the cluster at z = 0.3774 and a smaller foreground halo at z = 0.2713. We then add a strong lensing constraint from a multiply imaged galaxy in the imaging data with a photometric redshift of z ≈ 5.03. Unlike previous cluster-scale lens analyses, our technique accounts for the full three-dimensional mass structure in the beam, including galaxies along the line of sight. In contrast with past cluster analyses that used only lensed image positions as constraints, we use the full surface brightness distribution of the images. This method predicts that the source galaxy crosses a lensing caustic, such that one image is a highly magnified "fold arc" that could be used to probe the source galaxy's structure at ultra-high spatial resolution (<30 pc). We calculate the mass of the primary cluster to be ${M}_{\mathrm{vir}}={2.93}_{-0.65}^{+0.71}\times {10}^{15}\,{M}_{\odot }$ with a concentration of ${c}_{\mathrm{vir}}={3.46}_{-0.59}^{+0.70}$, consistent with the mass–concentration relation of massive clusters at a similar redshift. Finally, the large mass of this cluster makes J0850 an excellent field for leveraging lensing magnification to search for high-redshift galaxies, competitive with and complementary to that of well-studied clusters such as the HST Frontier Fields.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1983

Radiative accretion of intracluster gas onto dominant galaxies in poor clusters

An analysis of X-ray images of MKW 4, MKW 3, AMW 4, and AMW 7 indicates that the hot gas in poor clusters is cooling and accreting onto the central, dominant galaxies. The deprojection technique of Fabian et al (1980) is applied to deduce the detailed density and temperature profiles for a wide range of assumed parameters. For each cluster, the mass accretion rates computed vary by less than a factor of 2 over the full range of the assumed parameters. Examinations of the gas and light density profiles, and of the effects of contraction of the gravitational potential, lead to the conclusion that the high gas densities giving rise to cooling flows are not primarily the result of dynamical evolution of the cluster, especially the merger of galaxies to form the dominant galaxy. Instead, the general initial condition of high material density favors both mergers and cooling flows.

Stewart, G. C.↗
DOE OSTI2018

Automated Classification and Analysis of Non-metallic Inclusion Data Sets

The aim of this study is to utilize principal component analysis (PCA), clustering methods, and correlation analysis to condense and examine large, multivariate data sets produced from automated analysis of non-metallic inclusions. Non-metallic inclusions play a major role in defining the properties of steel and their examination has been greatly aided by automated analysis in scanning electron microscopes equipped with energy dispersive X-ray spectroscopy. The methods were applied to analyze inclusions on two sets of samples: two laboratory-scale samples and four industrial samples from a near-finished 4140 alloy steel components with varying machinability. The laboratory samples had well-defined inclusions chemistries, composed of MgO-Al{sub 2}O{sub 3}-CaO, spinel (MgO-Al{sub 2}O{sub 3}), and calcium aluminate inclusions. The industrial samples contained MnS inclusions as well as (Ca,Mn)S + calcium aluminate oxide inclusions. PCA could be used to reduce inclusion chemistry variables to a 2D plot, which revealed inclusion chemistry groupings in the samples. Clustering methods were used to automatically classify inclusion chemistry measurements into groups, i.e., no user-defined rules were required.

36 MATERIALS SCIENCE↗
NASA NTRS2001

The Statistical Consulting Center for Astronomy (SCCA)

The process by which raw astronomical data acquisition is transformed into scientifically meaningful results and interpretation typically involves many statistical steps. Traditional astronomy limits itself to a narrow range of old and familiar statistical methods: means and standard deviations; least-squares methods like chi(sup 2) minimization; and simple nonparametric procedures such as the Kolmogorov-Smirnov tests. These tools are often inadequate for the complex problems and datasets under investigations, and recent years have witnessed an increased usage of maximum-likelihood, survival analysis, multivariate analysis, wavelet and advanced time-series methods. The Statistical Consulting Center for Astronomy (SCCA) assisted astronomers with the use of sophisticated tools, and to match these tools with specific problems. The SCCA operated with two professors of statistics and a professor of astronomy working together. Questions were received by e-mail, and were discussed in detail with the questioner. Summaries of those questions and answers leading to new approaches were posted on the Web (www.state.psu.edu/ mga/SCCA). In addition to serving individual astronomers, the SCCA established a Web site for general use that provides hypertext links to selected on-line public-domain statistical software and services. The StatCodes site (www.astro.psu.edu/statcodes) provides over 200 links in the areas of: Bayesian statistics; censored and truncated data; correlation and regression, density estimation and smoothing, general statistics packages and information; image analysis; interactive Web tools; multivariate analysis; multivariate clustering and classification; nonparametric analysis; software written by astronomers; spatial statistics; statistical distributions; time series analysis; and visualization tools. StatCodes has received a remarkable high and constant hit rate of 250 hits/week (over 10,000/year) since its inception in mid-1997. It is of interest to scientists both within and outside of astronomy. The most popular sections are multivariate techniques, image analysis, and time series analysis. Hundreds of copies of the ASURV, SLOPES and CENS-TAU codes developed by SCCA scientists were also downloaded from the StatCodes site. In addition to formal SCCA duties, SCCA scientists continued a variety of related activities in astrostatistics, including refereeing of statistically oriented papers submitted to the Astrophysical Journal, talks in meetings including Feigelson's talk to science journalists entitled "The reemergence of astrostatistics" at the American Association for the Advancement of Science meeting, and published papers of astrostatistical content.

Akritas, Michael↗
DOE OSTI2016

MC 2 : Dynamical Analysis of the Merging Galaxy Cluster MACS J1149.5+2223

Here, we present an analysis of the merging cluster MACS J1149.5+2223 using archival imaging from Subaru/Suprime-Cam and multi-object spectroscopy from Keck/DEIMOS and Gemini/GMOS. We employ two- and three-dimensional substructure tests and determine that MACS J1149.5+2223 is composed of two separate mergers among three subclusters occurring ~1 Gyr apart. The primary merger gives rise to elongated X-ray morphology and a radio relic in the southeast. The brightest cluster galaxy is a member of the northern subcluster of the primary merger. This subcluster is very massive (${16.7}_{-1.60}^{+1.25}\times {10}^{14}\,{M}_{\odot }$). The southern subcluster is also very massive (${10.8}_{-3.54}^{+3.37}\times {10}^{14}\,{M}_{\odot }$), yet it lacks an associated X-ray surface brightness peak, and it has been unidentified previously despite the detailed study of this Frontier Field cluster. A secondary merger is occurring in the north along the line of sight (LOS) with a third, less massive subcluster (${1.20}_{-0.34}^{+0.19}\times {10}^{14}\,{M}_{\odot }$). We perform a Monte Carlo dynamical analysis on the main merger and estimate a collision speed at pericenter of ${2770}_{-310}^{+610}$ km s -1 . We show the merger to be returning from apocenter with core passage occurring ${1.16}_{-0.25}^{+0.50}$ Gyr before the observed state. We identify the LOS merging subcluster in a strong lensing analysis in the literature and show that it is likely bound to MACS J1149 despite having reached an extreme collision velocity of ~4000 km s -1 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes of helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Photometry and astrometry with JWST – III. A NIRCam-Gaia DR3 analysis of the open cluster NGC 2506

ABSTRACT In the third paper of this series aimed at developing the tools for analysing resolved stellar populations using the cameras on board of the James Webb Space Telescope (JWST), we present a detailed multiband study of the 2 Gyr Galactic open cluster NGC 2506. We employ public calibration data sets collected in multiple filters to: (i) derive improved effective Point Spread Functions (ePSFs) for 10 NIRCam filters; (ii) extract high-precision photometry and astrometry for stars in the cluster, approaching the main sequence (MS) lower mass of ∼0.1 M⊙; and (iii) take advantage of the synergy between JWST and Gaia DR3 to perform a comprehensive analysis of the cluster’s global and local properties. We derived a MS binary fraction of ∼57.5 per cent, extending the Gaia limit (∼0.8 M⊙) to lower masses (∼0.4 M⊙) with JWST. We conducted a study on the mass functions (MFs) of NGC 2506, mapping the mass segregation with Gaia data, and extending MFs to lower masses with the JWST field. We also combined information on the derived MFs to infer an estimate of the cluster present-day total mass. Lastly, we investigated the presence of white dwarfs (WDs) and identified a strong candidate. However, to firmly establish its cluster membership, as well as that of four other WD candidates and of the majority of faint low-mass MS stars, further JWST equally deep observations will be required. We make publicly available catalogues, atlases, and the improved ePSFs.

Nardiello, D. (ORCID:0000000311493659)↗
DOE OSTI2015

NON-EQUILIBRIUM ELECTRONS IN THE OUTSKIRTS OF GALAXY CLUSTERS

The analysis of X-ray and Sunyaev–Zel’dovich measurements of the intracluster medium (ICM) assumes that electrons are in thermal equilibrium with ions in the plasma. However, in the outskirts of galaxy clusters, the electron–ion equilibration timescale can become comparable to the Hubble time, leading to systematic biases in cluster mass estimates and mass-observable scaling relations. To quantify an upper limit of the impact of non-equilibrium electrons, we use a mass-limited sample of simulated galaxy clusters taken from a cosmological simulation with a two-temperature model that assumes the Spitzer equilibration time for the electrons and ions. We show that the temperature bias is more pronounced in more massive and rapidly accreting clusters. For the most extreme case, we find that the bias is of the order of 10% at half of the cluster virial radius and increases to 40% at the edge of the cluster. Gas in filaments is less susceptible to the non-equilibrium effect, leading to azimuthal variations in the temperature bias at large cluster-centric radii. Using mock Chandra observations of simulated clusters, we show that the bias manifests in ultra-deep X-ray observations of cluster outskirts and quantify the resulting biases in hydrostatic mass and cluster temperature derived from these observations. We provide a mass-dependent fitting function for the temperature bias profile, which can be useful for modeling the effect of electron-ion equilibration in galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Identifying Sample Provenance From SEM/EDS Automated Particle Analysis via Few-Shot Learning Coupled With Similarity Graph Clustering

Automated particle analysis (APA) provides a vast amount of compositional data via energy-dispersive X-ray spectroscopy along with size and shape data via scanning electron microscopy for individual particles in a sample. In many instances, APA data are leveraged to support identification of the source of a sample based on the detection of particles of a specific composition. Often, the particles that provide context make up a minuscule portion of the sample. Additionally, the interpretation of complex samples can be difficult due to the diversity of compositions both in the mixture and within a particle. In this work, we demonstrate a method to compute and cluster similarity graphs that describe inter-particle relationships within a sample using a multi-modal few-shot learning neural network. Here, as a proof-of-concept, we show that samples known to have been exposed to gunshot residue can be distinguished from samples occasionally mistaken for gunshot residue. Our workflow builds upon standard APA techniques and data processing methods to unveil additional information in a readily interpretable and quantitatively comparable format.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

IR spectral assignments for the hydrated excess proton in liquid water

The local environmental sensitivity of infrared (IR) spectroscopy to a hydrogen-bonding structure makes it a powerful tool for investigating the structure and dynamics of excess protons in water. Although of significant interest, the line broadening that results from the ultrafast evolution of different solvated proton-water structures makes the assignment of liquid-phase IR spectra a challenging task. In this paper, we apply a normal mode analysis using density functional theory of thousands of proton-water clusters taken from reactive molecular dynamics trajectories of the latest generation multistate empirical valence bond proton model (MS-EVB 3.2). These calculations are used to obtain a vibrational density of states and IR spectral density, which are decomposed on the basis of solvated proton structure and the frequency dependent mode character. Decompositions are presented on the basis of the proton sharing parameter δ, often used to distinguish Eigen and Zundel species, the stretch and bend character of the modes, the mode delocalization, and the vibrational mode symmetry. We find there is a wide distribution of vibrational frequencies spanning 1200-3000 cm -1 for every local proton configuration, with the region 2000-2600 cm -1 being mostly governed by the distorted Eigen-like configuration. Finally, we find a continuous red shift of the special-pair O∙∙∙H + ∙∙∙O stretching frequency, and an increase in the flanking water bending intensity with decreasing δ. Also, we find that the flanking water stretch mode of the Zundel-like species is strongly mixed with the flanking water bend, and the special pair proton oscillation band is strongly coupled with the bend modes of the central H 5 O 2 + moiety.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Analysis of heterogeneous water vapor uptake by metal iodide cluster ions via differential mobility analysis-mass spectrometry

The sorption of vapor molecules onto pre-existing nanometer sized clusters is of importance in understanding particle formation and growth in gas phase environments and devising gas phase separation schemes. Here, we apply a differential mobility analyzer-mass spectrometer based approach to observe directly the sorption of vapor molecules onto iodide cluster ions of the form (MI){sub x}M{sup +} (x = 1-13, M = Na, K, Rb, or Cs) in air at 300 K and with water saturation ratios in the 0.01-0.64 range. The extent of vapor sorption is quantified in measurements by the shift in collision cross section (CCS) for each ion. We find that CCS measurements are sensitive enough to detect the transient binding of several vapor molecules to clusters, which shift CCSs by only several percent. At the same time, for the highest saturation ratios examined, we observed CCS shifts of up to 45%. For x < 4, cesium, rubidium, and potassium iodide cluster ions are found to uptake water to a similar extent, while sodium iodide clusters uptake less water. For x ≥ 4, sodium iodide cluster ions uptake proportionally more water vapor than rubidium and potassium iodide cluster ions, while cesium iodide ions exhibit less uptake. Measured CCS shifts are compared to predictions based upon a Kelvin-Thomson-Raoult (KTR) model as well as a Langmuir adsorption model. We find that the Langmuir adsorption model can be fit well to measurements. Meanwhile, KTR predictions deviate from measurements, which suggests that the earliest stages of vapor uptake by nanometer scale species are not well described by the KTR model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗