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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.

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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Atomistic modeling of dropwise condensation

The basic aim of the atomistic modeling of condensation of water is to determine the size of the stable cluster and connect phenomena occurring at atomic scale to the macroscale. In this paper, a population balance model is described in terms of the rate equations to obtain the number density distribution of the resulting clusters. The residence time is taken to be large enough so that sufficient time is available for all the adatoms existing in vapor-phase to loose their latent heat and get condensed. The simulation assumes clusters of a given size to be formed from clusters of smaller sizes, but not by the disintegration of the larger clusters. The largest stable cluster size in the number density distribution is taken to be representative of the minimum drop radius formed in a dropwise condensation process. A numerical confirmation of this result against predictions based on a thermodynamic model has been obtained. Results show that the number density distribution is sensitive to the surface diffusion coefficient and the rate of vapor flux impinging on the substrate. The minimum drop radius increases with the diffusion coefficient and the impinging vapor flux; however, the dependence is weak. The minimum drop radius predicted from thermodynamic considerations matches the prediction of the cluster model, though the former does not take into account the effect of the surface properties on the nucleation phenomena. For a chemically passive surface, the diffusion coefficient and the residence time are dependent on the surface texture via the coefficient of friction. Thus, physical texturing provides a means of changing, within limits, the minimum drop radius. The study reveals that surface texturing at the scale of the minimum drop radius does not provide controllability of the macro-scale dropwise condensation at large timescales when a dynamic steady-state is reached.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Structure and α-decay properties of the heaviest nuclei

The α-decay is considered from the viewpoint of the many body features of internal nuclear motion and the theory of resonance reactions, as well. The α-half-lives are derived from clustering and scattering amplitudes given by self-consistent nuclear models for the nuclear shell structure and reaction dynamics. Calculations are performed for superheavy nuclei with Z=102–120 using the measured E{sub α} values, microscopic (shell model) or macroscopic (one body) cluster formation amplitudes and resonance scattering amplitudes. Theoretical results for α-half-lives are compared to data and empirical estimates. We prove that the Brown systematics (logT{sub α} (s) vs. Z{sub d}{sup 0.6}Q{sub α}{sup −1/2}, where Q{sub α} (MeV) is the effective decay energy, and Z{sub d} is the charge number of the daughter nucleus) of current decay data is very useful in the analysis and interpretation of data and prediction of new results. It is shown that by adding even–odd corrections to the calculated α-half-lives, the agreement with experimental data is improved and basic trends in the systematics of data are well reproduced. Spectroscopic information is derived from the ratio of theoretical to experimental results. The accuracy of available experimental half-lives is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Modeling a Million-Node Slim Fly Network Using Parallel Discrete-Event Simulation

As supercomputers close in on exascale performance, the increased number of processors and processing power translates to an increased demand on the underlying network interconnect. The Slim Fly network topology, a new lowdiameter and low-latency interconnection network, is gaining interest as one possible solution for next-generation supercomputing interconnect systems. In this paper, we present a high-fidelity Slim Fly it-level model leveraging the Rensselaer Optimistic Simulation System (ROSS) and Co-Design of Exascale Storage (CODES) frameworks. We validate our Slim Fly model with the Kathareios et al. Slim Fly model results provided at moderately sized network scales. We further scale the model size up to n unprecedented 1 million compute nodes; and through visualization of network simulation metrics such as link bandwidth, packet latency, and port occupancy, we get an insight into the network behavior at the million-node scale. We also show linear strong scaling of the Slim Fly model on an Intel cluster achieving a peak event rate of 36 million events per second using 128 MPI tasks to process 7 billion events. Detailed analysis of the underlying discrete-event simulation performance shows that a million-node Slim Fly model simulation can execute in 198 seconds on the Intel cluster.

interconnection networks↗
DOE OSTI2014

Periodic ordering of clusters and stripes in a two-dimensional lattice model. II. Results of Monte Carlo simulation

The triangular lattice model with nearest-neighbor attraction and third-neighbor repulsion, introduced by Pekalski, Ciach, and Almarza [J. Chem. Phys. 140, 114701 (2014)] is studied by Monte Carlo simulation. Introduction of appropriate order parameters allowed us to construct a phase diagram, where different phases with patterns made of clusters, bubbles or stripes are thermodynamically stable. We observe, in particular, two distinct lamellar phases—the less ordered one with global orientational order and the more ordered one with both orientational and translational order. Our results concern spontaneous pattern formation on solid surfaces, fluid interfaces or membranes that is driven by competing interactions between adsorbing particles or molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Skyrmions

The Skyrme model provides a soliton description of atomic nuclei. In the past, it has been used to describe the properties of nucleons as well as the rotational spectra of some small nuclei. More recently, {alpha}-particle clustering has been observed in the Skyrme model, and it predicts interesting structures for nuclei of baryon number B divisible by four. A promising approach to find some Skyrmions with intermediate baryon numbers is to remove single nucleons from Skyrmions made from {alpha}-particles. More insight into the interactions of two {alpha}-particles has been gained recently, and it seems now possible to find vibrational spectra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

A Very Large (θ{sub E} ≳ 40″) Strong Gravitational Lens Selected with the Sunyaev–Zel’dovich Effect: PLCK G287.0+32.9 (z = 0.38)

Since galaxy clusters sit at the high end of the mass function, the number of galaxy clusters both massive and concentrated enough to yield particularly large Einstein radii poses useful constraints on cosmological and structure formation models. To date, less than a handful of clusters are known to have Einstein radii exceeding ∼40{sup ′′} (for a source at z{sub s}≃2, nominally). Here, we report an addition to that list of the Sunyaev–Zel’dovich (SZ) selected cluster, PLCK G287.0+32.9 (z = 0.38), the second-highest SZ-mass (M {sub 500}) cluster from the Planck catalog. We present the first strong-lensing analysis of the cluster, identifying 20 sets of multiply imaged galaxies and candidates in new Hubble Space Telescope (HST) data, including a long, l∼22{sup ′′} giant arc, as well as a quadruply imaged, apparently bright (magnified to J{sub F110W}=25.3 AB), likely high-redshift dropout galaxy at z{sub phot}=6.90 [6.13–8.43] (95% C.I.). Our analysis reveals a very large critical area (1.55 arcmin{sup 2}, z{sub s}≃2), corresponding to an effective Einstein radius of θ{sub E}∼42{sup ′′}. The model suggests the critical area will expand to 2.58 arcmin{sup 2} (θ{sub E}∼54{sup ′′}) for sources at z{sub s}∼10. Our work adds to recent efforts to model very massive clusters toward the launch of the James Webb Space Telescope, in order to identify the most useful cosmic lenses for studying the early universe. Spectroscopic redshifts for the multiply imaged galaxies and additional HST data will be necessary for refining the lens model and verifying the nature of the z∼7 dropout.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Would a Galactic bar destroy the globular cluster system?

Five different dynamical Galaxy models are presented for the Galactic potential which satisfy the observed rotation curve but contain a central bar so that the 3-kpc nonintersecting streamlines have a radial velocity of 50 km/s when viewed at 45 deg to the bar axis. The effect of the central bars on the destruction rates of globular clusters in the Galaxy is investigated. The method of Aguilar et al. (1988) is applied to these barred Galaxy models. The unknown tangential velocity components of each observed cluster are drawn randomly from an assumed distribution function. The cluster's orbit is integrated, and the bulge shocking rate is calculated. The median destruction rate of the cluster is computed by sampling a large number of such orbits. The addition of the rotating bar does not strongly affect the destruction rates of globular clusters. There is a small increase in the destruction rate for those clusters within about 2.5 kpc. Thus it is not possible to rule out the existence of a rotating bar on these grounds.

Long, Kevin↗
NASA NTRS2011

An Unlikely Radio Halo in the Low X-Ray Luminosity Galaxy Cluster RXCJ1514.9-1523

Aims: We report the discovery of a giant radio halo in the galaxy cluster RXCJ1514,9-1523 at z=0.22 with a relatively low X-ray luminosity, L(sub X) (0.1-2.4kev) approx. 7 x 10(exp 44) ergs/s. Methods: This faint, diffuse radio source is detected with the Giant Meterwave Radio Telescope at 327 MHz. The source is barely detected at 1.4 GHz in a NVSS pointing that we have reanalyzed. Results: The integrated radio spectrum of the halo is quite steep, with a slope alpha = 1.6 between 327 MHz and 1.4 GHz. While giant radio halos are common in more X-ray luminous cluster mergers, there is a less than 10% probability to detect a halo in systems with L(sub X) < 8 x 10(exp 44) ergs/s. The detection of a new giant halo in this borderline luminosity regime can be particularly useful for discriminating between the competing theories for the origin of ultrarelativistic electrons in clusters. Furthermore, if our steep radio spectral index is confirmed by future deeper radio observations, this cluster would provide another example of the very rare, new class of ultra-steep spectrum radio halos, predicted by the model in which the cluster cosmic ray electrons are produced by turbulent reacceleration.

Marketvitch, M.↗
DOE OSTI2014

Phase behavior of the 38-atom Lennard-Jones cluster

We have developed a coarse-grained description of the phase behavior of the isolated 38-atom Lennard-Jones cluster (LJ{sub 38}). The model captures both the solid-solid polymorphic transitions at low temperatures and the complex cluster breakup and melting transitions at higher temperatures. For this coarse model development, we employ the manifold learning technique of diffusion mapping. The outcome of the diffusion mapping analysis over a broad temperature range indicates that two order parameters are sufficient to describe the cluster's phase behavior; we have chosen two such appropriate order parameters that are metrics of condensation and overall crystallinity. In this well-justified coarse-variable space, we calculate the cluster's free energy landscape (FEL) as a function of temperature, employing Monte Carlo umbrella sampling. These FELs are used to quantify the phase behavior and onsets of phase transitions of the LJ{sub 38} cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Cascade annealing simulations of bcc iron using object kinetic Monte Carlo

Simulations of displacement cascade annealing were carried out using object kinetic Monte Carlo based on an extensive MD database including various primary knock-on atom energies and directions. The sensitivity of the results to a broad range of material and model parameters was examined. The diffusion mechanism of interstitial clusters has been identified to have the most significant impact on the fraction of stable interstitials that escape the cascade region. The maximum level of recombination was observed for the limiting case in which all interstitial clusters exhibit 3D random walk diffusion. The OKMC model was parameterized using two alternative sets of defect migration and binding energies, one from ab initio calculations and the second from an empirical potential. The two sets of data predict essentially the same fraction of surviving defects but different times associated with the defect escape processes. This study provides a comprehensive picture of the first phase of long-term defect evolution in bcc iron and generates information that can be used as input data for mean field rate theory (MFRT) to predict the microstructure evolution of materials under irradiation. In addition, the limitations of the current OKMC model are discussed and a potential way to overcome these limitations is outlined.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Time-reversibility and particle sedimentation

This paper studies an ODE model, called the Stokeslet model, and describes sedimentation of small clusters of particles in a highly viscous fluid. This model has a trivial solution in which the n particles arrange themselves at the vertices of a regular n-sided polygon. When n = 3, Hocking and Caflisch et al. (1988) proved the existence of periodic motion (in the frame moving with the center of gravity in the cluster) in which the particles form an isosceles triangle. Here, the study of periodic and quasi-periodic solutions of the Stokeslet model is continued, with emphasis on the spatial and time-reversal symmetry of the model. For three particles, the existence of a second family of periodic solutions and a family of quasi-periodic solutions is proved. It is also indicated how the methods generalize to the case of n particles.

Golubitsky, Martin↗
DOE OSTI2011

Structure, Stability, and Mobility of Small Pd Clusters on the Stoichiometric and Defective TiO2 (110) Surfaces

We report on the structure and adsorption properties of Pdn (n = 1–4) clusters supported on the rutile TiO2 (110) surfaces with the possible presence of a surface oxygen vacancy or a subsurface Ti-interstitial atom. As predicted by the density functional theory, small Pd clusters prefer to bind to the stoichiometric titania surface or at sites near subsurface Ti-interstitial atoms. The adsorption of Pd clusters changes the electronic structure of the underlying surface. For the surface with an oxygen vacancy, the charge localization and ferromagnetic spin states are found to be largely attenuated owing to the adsorption of Pd clusters. The potential energy surfaces of the Pd monomer on different types of surfaces are also reported. The process of sintering is then simulated via the Metropolis Monte Carlo method. The presence of oxygen vacancy likely leads to the dissociation of Pd clusters. On the stoichiometric surface or surface with Ti-interstitial atom, the Pd monomers tend to sinter into larger clusters, whereas the Pd dimer, trimer, and tetramer appear to be relatively stable below 600 K. This result agrees with the standard sintering model of transition metal clusters and experimental observations.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Cluster Cosmology with the Velocity Distribution Function of the HeCS-SZ Sample

We apply the velocity distribution function (VDF) to a sample of Sunyaev–Zel'dovich (SZ)-selected clusters, and we report preliminary cosmological constraints in the ${\sigma }_{8}$-${{\rm{\Omega }}}_{m}$ cosmological parameter space. The VDF is a forward-modeled test statistic that can be used to constrain cosmological models directly from galaxy cluster dynamical observations. The method was introduced in Ntampaka et al. and employs line-of-sight velocity measurements to directly constrain cosmological parameters; it is less sensitive to measurement error than a standard halo mass function approach. The method is applied to the Hectospec Survey of Sunyaev–Zeldovich-Selected Clusters sample, which is a spectroscopic follow-up of a Planck-selected sample of 83 galaxy clusters. Credible regions are calculated by comparing the VDF of the observed cluster sample to that of mock observations, yielding ${{ \mathcal S }}_{8}$ $\equiv \,{\sigma }_{8}{\left({{\rm{\Omega }}}_{m}/0.3\right)}^{0.25}=0.751\pm 0.037$. These constraints are in tension with the Planck Cosmic Microwave Background TT fiducial value, which lies outside of our 95% credible region, but are in agreement with some recent analyses of large-scale structure that observe fewer massive clusters than are predicted by the Planck fiducial cosmological parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1988

Arcs from gravitational lensing

The proposal made by Paczynski (1987) that the arcs of blue light found recently in two cluster cores are gravitationally lensed elongated images of background galaxies is investigated. It is shown that lenses that are circularly symmetric in projection produce pairs of arcs, in conflict with the observations. However, more realistic asymmetric lenses produce single arcs, which can become as elongated as the observed ones whenever the background galaxy is located on or close to a cusp caustic. Detailed computer simulations of lensing by clusters using a reasonable model of the mass distribution are presented. Elongated and curved lensed images longer than 10 arcsec occur in 12 percent of the simulated clusters. It is concluded that the lensing hypothesis must be taken seriously.

Grossman, Scott A.↗
DOE OSTI2012

SPATIAL ANISOTROPY OF GALAXY KINEMATICS IN SLOAN DIGITAL SKY SURVEY GALAXY CLUSTERS

Measurements of galaxy cluster kinematics are important in understanding the dynamical state and evolution of clusters of galaxies, as well as constraining cosmological models. While it is well established that clusters exhibit non-spherical geometries, evident in the distribution of galaxies on the sky, azimuthal variations of galaxy kinematics within clusters have yet to be observed. Here we measure the azimuthal dependence of the line-of-sight velocity dispersion profile in a stacked sample of 1743 galaxy clusters from the Sloan Digital Sky Survey (SDSS). The clusters are drawn from the SDSS DR8 redMaPPer catalog. We find that the line-of-sight velocity dispersion of galaxies lying along the major axis of the central galaxy is larger than those that lie along the minor axis. This is the first observational detection of anisotropic kinematics of galaxies in clusters. We show that the result is consistent with predictions from numerical simulations. Furthermore, we find that the degree of projected anisotropy is strongly dependent on the line-of-sight orientation of the galaxy cluster, opening new possibilities for assessing systematics in optical cluster finding.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Star Cluster Formation from Turbulent Clumps. I. The Fast Formation Limit

We investigate the formation and early evolution of star clusters, assuming that they form from a turbulent starless clump of a given mass bounded inside a parent self-gravitating molecular cloud characterized by a particular mass surface density. As a first step, we assume instantaneous star cluster formation and gas expulsion. We draw our initial conditions from observed properties of starless clumps. We follow the early evolution of the clusters up to 20 Myr, investigating the effects of different star formation efficiencies, primordial binary fractions and eccentricities, and primordial mass segregation levels. We investigate clumps with initial masses of M{sub cl}=3000 M{sub ⊙} embedded in ambient cloud environments with mass surface densities Σ{sub cloud}=0.1 and 1 g cm{sup −2}. We show that these models of fast star cluster formation result, in the fiducial case, in clusters that expand rapidly, even considering only the bound members. Clusters formed from higher Σ{sub cloud} environments tend to expand more quickly and thus are soon larger than clusters born from lower Σ{sub cloud} conditions. To form a young cluster of a given age, stellar mass, and mass surface density, these models need to assume a parent molecular clump that is many times denser, which is unrealistic compared to observed systems. We also show that, in these models, the initial binary properties are only slightly modified by interactions, meaning that the binary properties, e.g., at 20 Myr, are very similar to those at birth. With this study, we set up the foundation for future work, where we will investigate more realistic models of star formation compared to this instantaneous, baseline case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Probing electronic wave functions of sodium-doped clusters: Dyson orbitals, anisotropy parameters, and ionization cross-sections

We apply high-level ab initio methods to describe the electronic structure of small clusters of ammonia and dimethylether (DME) doped with sodium, which provide a model for solvated electrons. We investigate the effect of the solvent and cluster size on the electronic states. We consider both energies and properties, with a focus on the shape of the electronic wave function and the related experimental observables such as photoelectron angular distributions. The central quantity in modeling photoionization experiments is the Dyson orbital, which describes the difference between the initial N-electron and final (N-1)-electron states of a system. Dyson orbitals enter the expression of the photoelectron matrix element, which determines total and partial photoionization cross-sections. We compute Dyson orbitals for the Na(NH3)n and Na(DME)m clusters using correlated wave functions (obtained with equation-of-motion coupled-cluster model for electron attachment with single and double substitutions) and compare them with more approximate Hartree-Fock and Kohn-Sham orbitals. As a result, we also analyze the effect of correlation and basis sets on the shapes of Dyson orbitals and the experimental observables.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Galaxy clusters and cold dark matter - A low-density unbiased universe?

Large-scale simulations of a universe dominated by cold dark matter (CDM) are tested against two fundamental properties of clusters of galaxies: the cluster mass function and the cluster correlation function. We find that standard biased CDM models are inconsistent with these observations for any bias parameter b. A low-density, low-bias CDM-type model, with or without a cosmological constant, appears to be consistent with both the cluster mass function and the cluster correlations. The low-density model agrees well with the observed correlation function of the Abell, Automatic Plate Measuring Facility (APM), and Edinburgh-Durham cluster catalogs. The model is in excellent agreement with the observed dependence of the correlation strength on cluster mean separation, reproducing the measured universal dimensionless cluster correlation. The low-density model is also consistent with other large-scale structure observations, including the APM angular galaxy-correlations, and for lambda = 1-Omega with the COBE results of the microwave background radiation fluctuations.

Bahcall, Neta A.↗