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All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Active galactic nuclei. II - The acceleration of relativistic particles in a cluster of accreting black holes

An accreting cluster of black holes in an active galactic nucleus is a natural site for a system of shock structures with a hierarchy of sizes, corresponding to the distribution of masses in the cluster. Accreted gas containing some magnetic fields and supersonically falling onto the core forms shocks on the outside of each hole and these shocks are capable of accelerating relativistic particles. The energies reached in a single shock are size rather than acceleration time limited and are proportional to the mass of the hole with a proportionality constant being a function of the position of the hole within a cluster and the model of the cluster and the shock formation. These energies are adequate to explain the observed properties of synchrotron and inverse-Compton radiation from these objects. The resulting energy spectrum of particles in the cluster in 'zeroth' approximation has the form of a doubly broken power law with indices of two and three on both extremes of the energy domain respectively, bridged by an index of about 2.5.

Pacholczyk, A. G.↗
DOE OSTI2026

Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole–2-Particle Excitations and Three-Body Clusters

The double ionization potential (DIP) equation-ofmotion (EOM) coupled-cluster (CC) method with 4-hole−2- particle (4h-2p) excitations on top of the CC with singles, doubles, and triples calculation, abbreviated as DIP-EOMCCSDT(4h-2p), along with its perturbative DIP-EOMCCSD(T)(a)(4h-2p) approximation, are extended to a relativistic four-component (4c) framework. In addition, we introduce and test a new computationally practical DIP-EOMCC approach, which we call DIPEOMCCSD( T)(ã)(4h-2p), that approximates the treatment of 4h- 2p correlations within the DIP-EOMCCSD(T)(a)(4h-2p) method and reduces the $\mathcal{N}$ 8 scaling characterizing DIP-EOMCCSDT(4h- 2p) and DIP-EOMCCSD(T)(a)(4h-2p) to $\mathcal{N}$ 7 with the system size $\mathcal{N}$. Further improvements in computational efficiency are obtained using the frozen natural spinor (FNS) approximation to reduce the numbers of unoccupied spinors entering the correlated steps of the DIP-EOMCC calculations according to a well-defined occupation-number-based threshold. The resulting 4c-FNS-DIPEOMCC approaches are used to compute DIPs for the series of inert gas atoms from argon to radon as well as the vertical DIPs in Cl 2 , Br 2 , HBr, and HI, which have been experimentally examined in the past. We demonstrate that, when using complete basis set extrapolations and FNS truncation threshold of 10 −4.5 , the 4c-FNS-DIP-EOMCCSD(T)(ã)(4h-2p) calculations are capable of predicting DIPs in agreement with experimental data, improving upon their nonrelativistic and spin-free scalar-relativistic counterparts, particularly when examining DIPs characterized by stronger spin−orbit coupling effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Friction-Stir Welding - Heavy Inclusions in Bi-metallic welds of Al 2219/2195

Heavy Inclusions (HI) were detected for the first time by radiographic examination in aluminum alloy 2219forging/2195plate (advancing/retreating side) Friction Sir Welds (FSW) for the Space Shuttle External Tank (ET) Program. Radiographic HI indications appear as either small (approx.0.005"-0.025") individual particles or clusters of small particles. Initial work was performed to verify that the HI was not foreign material or caused by FSW pin tool debris. That and subsequent elemental analysis determined that the HI were large agglomerations of Al2Cu (theta phase), which is the strengthening precipitate in Al2219. A literature search on that subject determined that the agglomeration of phase has also been found in Al2219 bead on plate FSW [Ref. 1]. Since this was detected in ET space flight hardware, an investigative study of the effect of agglomerated theta phase particles in FSW Al2219f/2195p was performed. Numerous panels of various lengths were welded per ET weld procedures and radiographically inspected to determine if any HI was detected. Areas that had HI were sampled for room temperature and cyclic cryogenic (-423F) tensile testing and determined no significant adverse affect on mechanical properties when compared to test specimens without HI and historical data. Fracture surface examination using the Scanning Electron Microscope (SEM) revealed smaller phase agglomerations undetectable by radiographic inspection dispersed throughout the Al2219f/2195p FSW. This indicates that phase agglomeration is inherent to the Al2219f/2195p FSW process and only rarely creates agglomerations large enough to be detected by radiography. HI has not been observed in FSW of plate to plate material for either Al2219 or AL2195.

Rietz, Ward W., Jr.↗
NASA NTRS1974

Effect of the cluster integrals on three particles on the calculated electron density of a hydrogen plasma

The effect of the calculation of the cluster integrals on three particles is analyzed and evaluated for a hydrogen plasma where a pairwise-additive hard sphere-Coulomb potential is assumed. The Mayer cluster integral method was used to calculate the Helmholtz free energy which was then applied to the calculation of the electron number density through an iterative technique using a corrected Saha equation. It is seen that the three particle integrals provide a substantial correction to the calculations in the low energy-high density region of the hydrogen plasma.

Mcintyre, R. G.↗
NASA NTRS1995

Fast Multipole Methods for Three-Dimensional N-body Problems

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Koumoutsakos, P.↗
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 OSTI2025

Active-noise-induced dynamic clustering of passive colloidal particles

Active fluids generate spontaneous, often chaotic mesoscale flows. Harnessing these flows to drive soft materials embedded within an active fluid into structures with controlled length scales and lifetimes is a key challenge at the interface between the fields of active matter and nonequilibrium self-assembly. Here, we present a simple and efficient computational approach to model soft materials advected by active fluids, by simulating particles moving in a spatiotemporally correlated noise field. To illustrate our approach, we simulate the dynamical self-organization of repulsive colloids within such an active noise field. The colloids form structures whose sizes and dynamics can be tuned by the correlation time and length of the active fluid, and range from small rotating droplets to clusters with internal flows and system-spanning sizes that vastly exceed the active correlation length. Our results explain how the interplay between active fluid time and length scales and emergent driven assembly can be used to rationally design functional assemblies. More broadly, our approach can be used to efficiently simulate diverse active fluids and other systems with spatiotemporally correlated noise.

Brownian dynamics↗
DOE OSTI2026

Microscopic Dynamics Controls Coupling and Cluster Formation in Brush Particle Solids

Thermodynamics-based models predict the structure of polymer-grafted nanoparticles (PGNs) as well as their assembly behavior based on geometric parameters such as particle size, degree of polymerization, and density of grafted chains. The role of microscopic polymer dynamics, such as the mobility of repeat units in the melt state, in the evolution of the structure and properties remains unknown. Brillouin light spectroscopy (BLS), due to its capability to concurrently discern the local and global elastic properties of PGN assemblies, enables the probing of microscopic processes, such as brush interdigitation, sensitive to the annealing of the assembly. For poly(methyl methacrylate) (PMMA)-grafted silica (SiO 2 ) PGNs in the dry powder state and annealed above the glass transition temperature, BLS revealed fully reversible local elasticity, indicative of limited interdigitation between adjacent PGNs. This contrasts with polystyrene (PS)−SiO 2 analogs that displayed ready (and irreversible) fusion of brush layers during annealing. The retardation of brush interdigitation in PMMA-grafted systems is surprising, given the similar thermomechanical properties of both polymers, and is rationalized as the consequence of higher friction between PMMA repeats compared to PS. Microscopic dynamics thus has a profound impact on the kinetic path of structure (and property) evolution and thus should be considered during the processing of PGNs into functional hybrid materials.

chemical structure↗
DOE OSTI2025

Tuning Catalytic Reactivity via Wetting Control through Oxygen Vacancies: Ru Clusters on Anatase TiO 2 and CeO 2 Supports

The shape of supported metal particles regulates their catalytic reactivity and is determined by the degree of wetting between the metal particle and the support surface. Flattened particles that wet support surfaces were reported in various catalytic systems, particularly in the subnanometer size regime. Such consequential metal–support wetting phenomena are poorly understood, and methods to study them on powder catalysts under realistic conditions are lacking. Here, we investigate the size-dependent wetting behaviors of Ru particles on two reducible-oxide supports, anatase TiO 2 (TiO 2 -A) and CeO 2 , under reducing catalytic conditions. X-ray absorption spectroscopy (XAS), low-energy ion scattering (LEIS), and density functional theory (DFT) are combined to determine the shape of Ru particles. Ru particles remain three-dimensional without wetting the TiO 2 -A support within the coverage range studied (0.06–0.98 Ru nm –2 ). In contrast, at low coverages (<0.25 Ru nm –2 ), Ru wets the CeO 2 support to form flat, disordered structures. The higher wettability of CeO 2 than TiO 2 -A is attributed to oxygen vacancies in the near-surface region. The shape difference between small Ru particles or clusters on the two supports leads to drastically contrasting catalytic reactivities in polyolefin hydrogenolysis, despite similar diameters. As a result, this work highlights the implications of metal–support wetting, or cluster shape, on catalytic behaviors of small metal clusters, while establishing the foundation for future systematic studies of such a phenomenon in realistic systems, by delivering a multitechnique methodology and revealing governing fundamental principles.

42 ENGINEERING↗
NASA NTRS1985

Preparation and analysis of particulate metal deposits

Small particles and clusters of palladium were grown by deposition from the vapor phase under ultrahigh vacuum conditions. Amorphous and crystalline support films of Al2O3 and ultrathin amorphous carbon films were used as substrate materials. The growth of the metal deposit was monitored in situ by scanning transmission diffraction of energy-filtered 100 kV electrons and high resolution transmission electron microscopy (TEM) analysis was performed in a separate instrument. It was established by in situ TEM, however, that the transfer of specimens in this case did not unduly affect the size and distribution of deposit particles. It was found that the cleanness, stoichiometry, crystallinity and structural perfection of the support surface play an essential role in determining the crystalline perfection and structure of the particles. The smallest palladium clusters reproducibly prepared contained not more than six atoms but size determinations below 1 nm average particle diameter are very problematic with conventional TEM. Palladium particles grown on carbon supports feature an impurity-stabilized mosaic structure.

Poppa, H.↗
NASA NTRS1987

The origin of low mass particles within and beyond the dust coma envelopes of Comet Halley

Measurements from the Dust Counter and Mass Analyzer (DUCMA) instruments on VEGA-1 and -2 revealed unexpected fluxes of low mass (up to 10 to the minus 13th power g) dust particles at very great distances from the nucleus (300,000 to 600,000 km). These particles are detected in clusters (10 sec duration), preceded and followed by relatively long time intervals during which no dust is detected. This cluster phenomenon also occurs inside the envelope boundaries. Clusters of low mass particles are intermixed with the overall dust distribution throughout the coma. The clusters account for many of the short-term small-scale intensity enhancements previously ascribed to microjets in the coma. The origin of these clusters appears to be emission from the nucleus of large conglomerates which disintegrate in the coma to yield clusters of discrete, small particles continuing outward to the distant coma.

Simpson, J. A.↗
NASA NTRS2014

Search for Cosmic-Ray-Induced Gamma-Ray Emission in Galaxy Clusters

Current theories predict relativistic hadronic particle populations in clusters of galaxies in addition to the already observed relativistic leptons. In these scenarios hadronic interactions give rise to neutral pions which decay into gamma rays that are potentially observable with the Large Area Telescope (LAT) on board the Fermi space telescope. We present a joint likelihood analysis searching for spatially extended gamma-ray emission at the locations of 50 galaxy clusters in four years of Fermi-LAT data under the assumption of the universal cosmic-ray (CR) model proposed by Pinzke & Pfrommer. We find an excess at a significance of 2.7 delta, which upon closer inspection, however, is correlated to individual excess emission toward three galaxy clusters: A400, A1367, and A3112. We discuss these cases in detail and conservatively attribute the emission to unmodeled background systems (for example, radio galaxies within the clusters).Through the combined analysis of 50 clusters, we exclude hadronic injection efficiencies in simple hadronic models above 21% and establish limits on the CR to thermal pressure ratio within the virial radius, R(sub 200), to be below 1.25%-1.4% depending on the morphological classification. In addition, we derive new limits on the gamma-ray flux from individual clusters in our sample.

Online-only material: color figures↗
NASA NTRS1989

NASA-UVA light aerospace alloy and structures technology program

The report on progress achieved in accomplishing of the NASA-UVA Light Aerospace Alloy and Structures Technology Program is presented. The objective is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys and associated thermal gradient structures in close collaboration with researchers. The efforts will produce basic understanding of material behavior, new monolithic and composite alloys, processing methods, solid and fluid mechanics analyses, measurement advances, and a pool of educated graduate students. The presented accomplishments include: research on corrosion fatigue of Al-Li-Cu alloy 2090; research on the strengthening effect of small In additions to Al-Li-Cu alloys; research on localized corrosion of Al-Li alloys; research on stress corrosion cracking of Al-Li-Cu alloys; research on fiber-matrix reaction studies (Ti-1100 and Ti-15-3 matrices containing SCS-6, SCS-9, and SCS-10 fibers); and research on methods for quantifying non-random particle distribution in materials that has led to generation of a set of computer programs that can detect and characterize clusters in particles.

Gangloff, Richard P.↗
NASA NTRS1994

Corrosion and corrosion fatigue of airframe aluminum alloys

Localized corrosion and corrosion fatigue crack nucleation and growth are recognized as degradation mechanisms that effect the durability and integrity of commercial transport aircraft. Mechanically based understanding is needed to aid the development of effective methodologies for assessing durability and integrity of airframe components. As a part of the methodology development, experiments on pitting corrosion, and on corrosion fatigue crack nucleation and early growth from these pits were conducted. Pitting was found to be associated with constituent particles in the alloys and pit growth often involved coalescence of individual particle-nucleated pits, both laterally and in depth. Fatigue cracks typically nucleated from one of the larger pits that formed by a cluster of particles. The size of pit at which fatigue crack nucleates is a function of stress level and fatigue loading frequency. The experimental results are summarized, and their implications on service performance and life prediction are discussed.

Chen, G. S.↗
NASA NTRS1997

X-Ray Transmission Microscope Development

We have succeeded in meeting the goals set out in the proposal. A cadre of detector technologies is available to suit the requirements of the experiment. Resolutions of both real-time and absolute limits to resolution exceed the initial aspirations. Obtaining sufficient contrast is still a significant limitation but can be overcome by Judicious selection of the specimen composition. This can only take time and trial and error for a successful result. The 4th generation furnace provides the capability of real-time in-situ observations of composite alloy development. A low detection sensitivity however, has still made it difficult to observe dendritic growth, although it has been 'seen' in raw video; it was not a recordable signal. We have examined flight ampoules with XTM to observe particle and thermocouple placement, crucible flaws and cracks in collaboration with the Particle Pushing and Engulfment flight experiment (Dr. Stefanescu, UA, P.I.). The value of an in flight XTM to guard against experiment failure and safety assurance is obvious. Although not attributable to equipment limitations, a quest to observe particle pushing was not successful. We tried at length to prepare specimens that would demonstrate particle pushing. Instead, we were successful in imaging the interface deformation due to the thermal field distortion of a ceramic particle or void and to compare to calculated shapes. In theory, we should have been able to make major inroads to this field if the particles could be pushed and the velocities adjusted to make critical measurements. On the other hand, critical issues of sample preparation for the PEP flight experiment were established, particularly the clustering of particles and trapped voids. In this regard, the XTM did prove very useful so that flight specimens would work as expected and to perform post flight analysis. Although not a clear result, particle pushing of precipitates was observed in an Al-Si-Mn alloy. It may be that to be pushed, the particles need to be small and have clean surfaces like one might obtain from in-situ precipitation. The ability to image features in real time skill enable more fundamental and detailed understanding of solidification dynamics in microgravity than had previously been possible, thus, allowing the full benefits of microgravity experiments be applied towards rigorous testing of critical solidification models. The XTM is also a valuable tool for post solidification metallography. The 3-dimensional distribution of solute and solidification features within the specimen volume can be viewed without sectioning or other treatment when the solute has sufficiently higher atomic mass than the solvent. Thus the XTM could provide the first practical method for on orbit microstructural (metallographic) analysis by the astronauts or by telescience.

Kaukler, William F.↗
NASA NTRS1984

Structural characterizaiton and gas reactions of small metal particles by high-resolution, in-situ TEM and TED

The existing in-situ transmission electron microscopy (TEM) facility was improved by adding a separately pumped mini-specimen chamber. The chamber contains wire-evaporation sources for three metals and a specimen heater for moderate substrate temperatures. A sample introduction device was constructed, installed, and tested, facilitating rapid introduction of a specimen into the mini-chamber while maintaining the background pressure in that chamber in the 10(-9) millibar range. Small particles and clusters of Pd, grown by deposition from the vapor phase in an in-situ TEM facility on amorphous and crystalline support films of alumina and on ultra-thin carbon films, were analyzed by conventional high-resolution TEM and image analysis in terms of detectability, number density, and size distribution. The smallest particles that could be detected and counted contained no more than 6 atoms; size determinations could be made for particles 1 nm in diameter. The influence of various oxygen plasma treatments, annealing treatments, and of increasing the substrate temperature during deposition was investigated. The TEM technique was employed to demonstrate that under otherwise identica l conditions the lattice parameter of Pd particles in the 1 to 2 nm size range and supported in random orientation on ex-situ prepared mica films is expanded by some 3% when compared to 5 nm size particles. It is believed that this expansion is neither a small-particle diffraction effect nor due to pseudomorphism, but that it is due to a annealing-induced transformation of the small as-deposited particles with predominantly composite crystal structures into larger particles with true f.c.c. structure and thus inherently smaller lattice parameter.

Source record↗
NASA NTRS2007

Cosmological Effects of Powerful AGN Outbursts in Galaxy Clusters: Insights from an XMM-Newton Observation of MS 0735+7421

We report on the results of an analysis o f XMM-Newton observations o f MS 0735+7421, the galaxy cluster that hosts the most energetic AGN outburst currently known. .The previous chandra image shows twin giant x-ray cavities (approx.200 kpc diameter) filled with radio emission and surrounded by a weak shock front. XMM data are consistent with these findings. The total energy in cavities and shock (1E62 erg(approx.100 kpc), to heat the gas within 1 Mpc by approx.1/4 kev per particle. The cluster exhibits an upward departure (factor approx.2) from the mean L-T relation. The boost in emissivity produced by the ICM compression in the bright shells due to the cavity expansion may contribute to explain the high luminosity and high central gas mass fraction that we measure. The scaled temperature and metallicity profiles are in general agreement with those observed in re1axed clusters. Also, the quantities we measure are consistent with the observed M-T relation. We conclude that violent outbursts such as the one in MS 0735+7421 do not cause dramatic scaling relations (other than the L-T relation). However, if they are relatively common they may play a role in creating the global cluster properties.

Gitti, M.↗