Search NASA⌕ Search

SEARCH · Search NASA

Results for “Cluster diffusion”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Evolution of Local Microstructures of Clusters Undergoing 2-Dimensional Diffusion

A primary objective of our current work is to study the details of evolving microstructures through a study of "island" formation in heteroepitaxial film/substrate systems. Such systems could be of direct relevance to so-called mixed-dimensional coarsening and to the study of heterostructures grown by thin-film techniques. The spontaneous formation of three-dimensional islands in strained-layer heteroepitaxy, e.g., has emerged as a new technique for the synthesis of self-assembled quantum dots. This work focuses on coarsening by two-dimensional diffusion of three-dimensional droplets on a flat surface.

Frazier, Donald O.↗
NASA NTRS1979

Diffuse X-ray emission from Abell clusters 401 and 399 - A gravitationally bound system

The X-ray emission from the Abell 401-399 region has been studied using data obtained by the A-1 proportional counter aboard HEAO 1 in two different ways. The first involved routine scanning of the region during the all-sky survey, and the second was an observation in which the instrument was pointed at A401 during a lunar occultation. The emission is shown to be unusually extended and to be centered on a point lying between A401 and A399. The best fit of a uniform disk model to the data yielded a radius of 25.5 + or -4.4 arcmin for the lunar occultation and 42 + or - 17 arcmin for the scans. A possible explanation of the results is that A401 and A399 are both diffuse cluster X-ray sources. Alternatively, the emission may come from a large gas cloud of at least 10 to the 15th solar masses enveloping both clusters.

Ulmer, M. P.↗
NASA NTRS2013

Intragroup and Galaxy-linked Diffuse X-ray Emission In Hickson Compact Groups

Isolated compact groups (CGs) of galaxies present a range of dynamical states, group velocity dispersions, and galaxy morphologies with which to study galaxy evolution, particularly the properties of gas both within the galaxies and in the intragroup medium. As part of a large, multiwavelength examination of CGs, we present an archival study of diffuse X-ray emission in a subset of nine Hickson compact groups (HCGs) observed with the Chandra X-Ray Observatory. We find that seven of the groups in our sample exhibit detectable diffuse emission. However, unlike large-scale emission in galaxy clusters, the diffuse features in the majority of the detected groups are linked to the individual galaxies, in the form of both plumes and halos likely as a result of vigourous star formation or activity in the galaxy nucleus, as well as in emission from tidal features. Unlike previous studies from earlier X-ray missions, HCGs 31, 42, 59, and 92 are found to be consistent with the L(sub X-Tau) relationship from clusters within the errors, while HCGs 16 and 31 are consistent with the cluster L(sub X-sigma) relation, though this is likely coincidental given that the hot gas in these two systems is largely due to star formation. We find that L(sub X) increases with decreasing group Hi to dynamical-mass ratio with tentative evidence for a dependence in X-ray luminosity on Hi morphology whereby systems with intragroup Hi indicative of strong interactions are considerably more X-ray luminous than passively evolving groups. We also find a gap in the L(sub X) of groups as a function of the total group specific star formation rate. Our findings suggest that the hot gas in these groups is not in hydrostatic equilibrium and these systems are not low-mass analogs of rich groups or clusters, with the possible exception of HCG 62.

Desjardins, Tyler D.↗
NASA NTRS2009

Multiscale Computer Simulation of Tensile and Compressive Strain in Polymer- Coated Silica Aerogels

While the low thermal conductivities of silica aerogels have made them of interest to the aerospace community as lightweight thermal insulation, the application of conformal polymer coatings to these gels increases their strength significantly, making them potentially useful as structural materials as well. In this work we perform multiscale computer simulations to investigate the tensile and compressive strain behavior of silica and polymer-coated silica aerogels. Aerogels are made up of clusters of interconnected particles of amorphous silica of less than bulk density. We simulate gel nanostructure using a Diffusion Limited Cluster Aggregation (DLCA) procedure, which produces aggregates that exhibit fractal dimensions similar to those observed in real aerogels. We have previously found that model gels obtained via DLCA exhibited stress-strain curves characteristic of the experimentally observed brittle failure. However, the strain energetics near the expected point of failure were not consistent with such failure. This shortcoming may be due to the fact that the DLCA process produces model gels that are lacking in closed-loop substructures, compared with real gels. Our model gels therefore contain an excess of dangling strands, which tend to unravel under tensile strain, producing non-brittle failure. To address this problem, we have incorporated a modification to the DLCA algorithm that specifically produces closed loops in the model gels. We obtain the strain energetics of interparticle connections via atomistic molecular statics, and abstract the collective energy of the atomic bonds into a Morse potential scaled to describe gel particle interactions. Polymer coatings are similarly described. We apply repeated small uniaxial strains to DLCA clusters, and allow relaxation of the center eighty percent of the cluster between strains. The simulations produce energetics and stress-strain curves for looped and nonlooped clusters, for a variety of densities and interaction parameters.

Good, Brian↗
NASA NTRS1992

The effect of helium diffusion on the ages of globular clusters

Evolutionary tracks for halo stars were calculated, and isochrones which include the effects of microscopic diffusion of helium were constructed. The isochrones were fitted to a metal poor (M92) and a moderately metal rich (NGC 288) globular cluster using an updated version of the Revised Yale Isochrone color calibration. Ages of the two clusters were also determined using the difference between the turnoff magnitude and horizontal branch magnitude, and the difference in color between the main-sequence turnoff and lower giant branch. Considering all methods and constraints, diffusion is argued to reduce the derived ages of M92 and NGC 288 by 0.5-1 Gyr. The maximum age reduction that diffusion could cause is 3 Gyr. Age estimates including diffusion indicate that M92 is 16 +/- 2 Gyr old, and that M92 is about 3 Gyr older than NGC 288, assuming that the clusters have the same O/Fe of +0.4.

Chaboyer, Brian↗
DOE OSTI2025

Diffusion of alloying and fission atoms in α-U investigated by first-principles calculation

Stability and diffusion of small defect clusters containing alloying or fission atoms (“F” is used to represent both atoms) in an α-uranium (U) crystal are investigated using first-principles calculations. Here, results indicate that different stable defect structures are observed for an interstitial defect and a cluster (F n V m ) containing different alloying or fission atoms and vacancies. An interstitial defect is found to be most stable either at the center of a pyramid pentahedron or in a 〈010〉 mixed dumbbell configuration and the latter one is reported for the first time. Formation energy of a small F n V m cluster depends on the distribution of vacancies. Based on these stable defects, new migration energies and paths have been explored in this work. Anisotropic migration of an interstitial defect by jumping between nearest centers of two pyramid pentahedrons or jumping between two mixed U-Zr dumbbells has been suggested. Furthermore, a new migration-rotation mechanism has been explored for the first time for a FV 2 cluster, resulting in a 3D diffusion. Finally, the effect of substitutional Pu atoms on the migration of a FV 2 cluster suggests that optimizing the Pu concentration may prohibit the diffusion of some alloying or fission atoms, increasing the safe performance of metallic fuels.

3D diffusion↗
NASA NTRS1990

X-ray study of superclusters

The Batuski-Burns list of candidate superclusters was searched for X-ray emission in the HEAO 1 A-2 data base. No significant flux in excess of integrated member cluster emission was detected in directions associated with estimated supercluster centroids; a 3 sigma upper limit to the mean individual excess flux is 5 x 10 to the -12th ergs/sq cm/s. Implications of this bound are discussed in terms of fainter member clusters, hot diffuse gas, and active and normal galaxies. Prospects of supercluster observations related to future X-ray missions are also outlined.

Persic, M.↗
NASA NTRS2004

Aggregates and Superaggregates of Soot with Four Distinct Fractal Morphologies

Soot formed in laminar diffusion flames of heavily sooting fuels evolves through four distinct growth stages which give rise to four distinct aggregate fractal morphologies. These results were inferred from large and small angle static light scattering from the flames, microphotography of the flames, and analysis of soot sampled from the flames. The growth stages occur approximately over four successive orders of magnitude in aggregate size. Comparison to computer simulations suggests that these four growth stages involve either diffusion limited cluster aggregation or percolation in either three or two dimensions.

Sorensen, C. M.↗
NASA NTRS2006

Computer Simulation of Fracture in Aerogels

Aerogels are of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While the gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. In this work, we investigate the strength and fracture behavior of silica aerogels using a molecular statics-based computer simulation technique. The gels' structure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) algorithm, which produces fractal structures representing experimentally observed aggregates of so-called secondary particles, themselves composed of amorphous silica primary particles an order of magnitude smaller. We have performed multi-length-scale simulations of fracture in silica aerogels, in which the interaction b e e n two secondary particles is assumed to be described by a Morse pair potential parameterized such that the potential range is much smaller than the secondary particle size. These Morse parameters are obtained by atomistic simulation of models of the experimentally-observed amorphous silica "bridges," with the fracture behavior of these bridges modeled via molecular statics using a Morse/Coulomb potential for silica. We consider the energetics of the fracture, and compare qualitative features of low-and high-density gel fracture.

Good, Brian S.↗
NASA NTRS2008

Multiscale Computer Simulation of Failure in Aerogels

Aerogels have been of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While such gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. We have previously performed computer simulations of aerogel thermal conductivity and tensile and compressive failure, with results that are in qualitative, and sometimes quantitative, agreement with experiment. However, recent experiments in our laboratory suggest that gels having similar densities may exhibit substantially different properties. In this work, we extend our original diffusion limited cluster aggregation (DLCA) model for gel structure to incorporate additional variation in DLCA simulation parameters, with the aim of producing DLCA clusters of similar densities that nevertheless have different fractal dimension and secondary particle coordination. We perform particle statics simulations of gel strain on these clusters, and consider the effects of differing DLCA simulation conditions, and the resultant differences in fractal dimension and coordination, on gel strain properties.

Good, Brian S.↗
DOE OSTI2025

Ab-initio informed cluster dynamics simulation of self- and Xe diffusivity in uranium mononitride under irradiation

Uranium mononitride (UN) is one of the ceramic nuclear fuel alternatives to oxide fuels considered for light water reactor and advanced reactor designs, as it presents significant advantages such as high uranium density (better economics) and high thermal conductivity and melting point (increased safety). Self- and fission gas diffusivities need to be better understood, given that they influence key fuel performance phenomena like swelling and fission gas release. Recently, radiation enhanced diffusivity was investigated in UN by means of cluster dynamics simulations relying on empirical potential-based parameterizations, the reliability of which highly depends on the interatomic potential accuracy. Here, in this work, we refine this approach by determining, using ab-initio calculations, the properties of defect clusters containing vacancies, self-interstitials and Xe impurities. We also consider larger clusters than previous studies. The obtained dataset (formation enthalpies, entropies, and migration barriers) is used to parameterize a cluster dynamics model of mobile clusters, and to calculate the defect cluster concentrations under irradiation. This gives us access to the radiation enhanced self- and fission gas diffusivities. Although the resulting diffusivities are close to the values reported in the literature, we find important qualitative differences in the diffusion mechanisms. Capturing the correct mechanisms is crucial to properly describe the chemistry and fission rate dependence of the model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1999

Composition Effects on Phase Formation and Stability

In this report, results from experimental studies of the composition dependence of nucleation are presented. A model for nucleation that takes simultaneous account of the interfacial attachment processes at the growing cluster interface and diffusion into the region surrounding the developing cluster is presented and numerical results are discussed.

Kelton, Kenneth F.↗
NASA NTRS1997

Study of Diffuse X-ray Emission in Globular Clusters

This grant supported our analysis of ROSAT x-ray data on globular clusters. Although the grant title referred to our original ROSAT proposal (cycle 1) to study diffuse soft x-ray emission in three globulars (for which time was only granted in that original observing cycle for one cluster, 47 Tuc), the grant has also been maintained through several renewals and funding supplements to support our later ROSAT observations of point sources in globulars. The primary emphasis has been on the study of the dim sources, or low liuminosity globular cluster x-ray sources, which we had originally discovered with the Einstein Observatory and for which ROSAT provided the logical followup. In this Final Report, we summarize the Scientific Objectives of this investigation of both diffuse emission and dim sources in globular clusters and the Results Achieved; and finally the Papers Published.

Grindlay, Jonathan E.↗
NASA NTRS2011

The Swift BAT Perspective on Non-Thermal Emission in HIFLUGCS Galaxy Clusters

The search for diffuse non-thermal, inverse Compton (IC) emission from galaxy clusters at hard X-ray energies has been underway for many years, with most detections being either of low significance or controversial. Until recently, comprehensive surveys of hard X-ray emission from clusters were not possible; instead, individually proposed-for. long observations would be collated from the archive. With the advent of the Swift BAT all sky survey, any c1u,;ter's emission above 14 keV can be probed with nearly uniform sensitivity. which is comparable to that of RXTE, Beppo-SAX, and Suzaku with the 58-month version of the survey. In this work. we search for non-thermal excess emission above the exponentially decreasing, high energy thermal emission in the flux-limited HIFLUGCS sample. The BAT emission from many of the detected clusters is marginally extended; we are able to extract the total flux for these clusters using fiducial models for their spatial extent. To account for thermal emission at BAT energies, XMM-Newton EPIC spectra are extracted from coincident spatial regions so that both the thermal and non-thermal spectral components can be determined simultaneou,;ly in joint fits. We find marginally significant IC components in 6 clusters, though after closer inspection and consideration of systematic errors we are unable to claim a clear detection in any of them. The spectra of all clusters are also summed to enhance a cumulative non-thermal signal not quite detectable in individual clusters. After constructing a model based on single temperature

Wik, Daniel R.↗
DOE OSTI2024

Filaments in and between galaxy clusters at low and mid-frequency with the SKA

Context. Understanding the magnetised Universe is a major challenge in modern astrophysics, and cosmic magnetism has been acknowledged as one of the key scientific drivers of the most ambitious radio instrument ever planned, the Square Kilometre Array. Aims. With this work, we aim to investigate the potential of the Square Kilometre Array and its precursors and pathfinders in the study of magnetic fields in galaxy clusters and filaments through diffuse synchrotron radio emission. Galaxy clusters and filaments of the cosmic web are indeed unique laboratories in which to investigate turbulent fluid motions and large-scale magnetic fields in action, and much of what is known about magnetic fields in galaxy clusters comes from sensitive radio observations. Methods. Based on cosmological magneto-hydrodynamic simulations, we predict radio properties (total intensity and polarisation) of a pair of galaxy clusters connected by a cosmic-web filament. Results. We use our theoretical expectations to explore the potential of polarimetric observations to study large-scale structure magnetic fields in the frequency ranges 50–350 MHz and 950–1760 MHz. We also present predictions for galaxy cluster polarimetric observations with the Square Kilometre Array precursors and pathfinders, such as the LOw frequency ARray 2.0 and the MeerKAT+ telescope. Conclusions. Our findings point out that polarisation observations are particularly powerful for the study of large-scale magnetic fields, since they are not significantly affected by confusion noise. The unprecedented sensitivity and spatial resolution of the intermediatefrequency radio telescopes make them the favourite instruments for the study of these sources through polarimetric data, potentially allowing us to understand if the energy density of relativistic electrons is in equipartition with the magnetic field or rather coupled with the thermal gas density. Our results show that low-frequency instruments also represent a precious tool to study diffuse synchrotron emission in total intensity and polarisation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Characterizing the surface compositions of supported bimetallic PtSn clusters: Effects of cluster-support interactions and surface adsorbates

PtSn bimetallic clusters on TiO2(110) and highly oriented pyrolytic graphite (HOPG) surfaces have been characterized by scanning tunneling microscopy, low energy ion scattering (LEIS), Xray photoelectron spectroscopy, and temperature programmed desorption (TPD); density functional theory (DFT) calculations have also been performed to better understand adsorption of CO and D2 on the PtSn surfaces. On TiO2 at coverages of 2 ML of Pt and 2 ML of Sn, exclusively bimetallic clusters are formed for both orders of deposition because clusters of the first metal completely cover the surface such that all atoms of the second metal are incorporated into the existing clusters. In contrast, on HOPG, the high mobility and weak cluster-support interactions on HOPG result in much larger 2 ML monometallic clusters (~30 Å high) that do not completely cover the surface, and deposition of the second metal produces larger clusters as well as smaller ones. Despite the difference in cluster morphologies for the different orders of deposition and supports, the LEIS experiments demonstrate that in all cases, the PtSn clusters are rich in Sn at the surface, as expected based on the lower surface free energy for Sn compared to Pt. Furthermore, the +0.2 eV shift in the Sn(3d5/2) binding energy observed on all surfaces in the presence of Pt is consistent with PtSn alloy formation. Deposition of 2 ML of Sn on TiO2 produces two-dimensional clusters with oxidation of Sn and reduction of titania at the clustersupport interface, but addition of Pt to the Sn clusters causes Sn to diffuse away from this interface, leaving Sn in the metallic state. TPD experiments on 2 ML Pt/TiO2 with increasing coverages of Sn show that the number of adsorption sites for D2 sharply decreases to nearly zero at 0.5 ML, while CO adsorption decreases to zero only at much higher Sn coverages of 2 ML. DFT studies for Sn modified Pt surfaces and bulk structures demonstrate that for CO adsorption at low Sn coverages (<0.25 ML), the strong Pt-CO interactions induce diffusion of Pt to the cluster surface and the formation of a bulk Pt3Sn alloy, whereas D2 adsorption does not lead to interactions with the Pt surface that are strong enough to induce alloy formation. A single Sn adatom prevents D2 adsorption on four neighboring Pt atoms via site-blocking and the donation of electron density to Pt.

Li, Fangliang↗
NASA NTRS1984

An X-ray survey of clusters of galaxies. IV - A survey of southern clusters and a compilation of upper limits for both Abell and southern clusters

The results of the HEAO 1 A-1 X-ray survey of galaxy clusters are reported. X-ray error boxes and intensities are presented for all clusters in the Abell catalog and for the catalog of southern clusters and groups compiled by Duus and Newell (1977). A correlation is derived on the basis of the X-ray luminosity function for 2-6 keV which may be used to calculate the contribution of clusters to the diffuse X-ray background at different energies. The cluster X-ray is estimated to be 9.3 percent (+ 1.9 or - 1.5 percent). Correlations between X-ray luminosity and other cluster properties are exmained, and it is found that the distribution of upper limits may be applied to obtaining a more precise estimate of the average X-ray luminosity of clusters. The Abell richness class and southern cluster concentrations were strongly correlated with X-ray luminosity. Correlations between optical x-ray luminosity and optical radius velocity dispersion, spiral fraction, and radio power are analyzed. The evidence for all these correlations was considered to be weak because of poor scatter in the data.

Kowalski, M. P.↗
NASA NTRS2005

MASS CONTENT AND DYNAMICAL STATE OF 3 OPTICALLY SELECTED HIGH-Z CLUSTERS

As part of our analysis of the Chandra and XMM-Newton observations of the high redshift, optically selected cluster ElS0954-2023/22, we have identified Chandra sources in the field and measured their count rate and fluxes. From the 15 ksec Chandra ACIS-S observation, we detected eleven X-ray sources. Their positions and count rates are listed below. Our analysis also shows faint diffuse emission associated with the optically identified cluster. This information was used in a joint analysis of the XMM-Newton observation of the cluster emission to determine the luminosity and temperature of the diffuse cluster gas.

Mushotzky, Richard F.↗