A Dispersion Minimized Mimetic Finite Difference Method for Maxwell's Equations in Linear Dispersive Dielectrics.
Abstract not provided.
Gyrya, Vitaliy↗
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Results for “Dispersion”
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Connectivity from a different perspective: comparing seed dispersal kernels in connected vs. unfragmented landscapes
Habitat fragmentation can create significant impediments to dispersal. A technique to increase dispersal between otherwise isolated fragments is the use of corridors. Although previous studies have compared dispersal between connected fragments to dispersal between unconnected fragments, it remains unknown how dispersal between fragments connected by a corridor compares to dispersal in unfragmented landscapes. To assess the extent to which corridors can restore dispersal in fragmented landscapes to levels observed in unfragmented landscapes, we employed a stable‐isotope marking technique to track seeds within four unfragmented landscapes and eight experimental landscapes with fragments connected by corridors. We studied two wind‐ and two bird‐dispersed plant species, because previous community‐based research showed that dispersal mode explains how connectivity effects vary among species. We constructed dispersal kernels for these species in unfragmented landscapes and connected fragments by marking seeds in the center of each landscape with 15 N and then recovering marked seeds in seed traps at distances up to 200 m. For the two wind‐dispersed plants, seed dispersal kernels were similar in unfragmented landscapes and connected fragments. In contrast, dispersal kernels of bird‐dispersed seeds were both affected by fragmentation and differed in the direction of the impact: Morella cerifera experienced more and Rhus copallina experienced less long‐distance dispersal in unfragmented than in connected landscapes. These results show that corridors can facilitate dispersal probabilities comparable to those observed in unfragmented landscapes. Although dispersal mode may provide useful broad predictions, we acknowledge that similar species may respond uniquely due to factors such as seasonality and disperser behavior. Furthermore, our results further indicate that prior work has likely underestimated dispersal distances of wind‐dispersed plants and that factors altering long‐distance dispersal may have a greater impact on the spread of species than previously thought.
60 APPLIED LIFE SCIENCES↗
Dispersal of high-burnup fuel fragment surrogate particles during and after loss-of-coolant accident tests
The issue of fuel fragmentation, relocation, and dispersal is critical in the licensing and use of high-burnup (>62 GWd/MTU) nuclear fuel in light water reactors (LWRs). In this work, two test series are reported that examine the fragment dispersal during a burst event and an additional dispersal following the burst due to vibrations in the rod, such as those induced by accident recovery systems. To examine dispersal during the balloon and burst portion of a Loss-of-Coolant Accident event, HfO 2 fragments and yttria-stabilized zirconia pellets were filled into an as-fabricated cladding tube, which was then pressurized and subjected to loss-of-coolant accident testing in steam. Results from this test were found to be highly non-prototypic, and dispersal was both significantly more violent and significantly greater in magnitude than identified for actual fuel tests. These findings were attributed to the conservative (more dispersive) nature of the particles chosen for dispersal and to the details of the test conditions used that led to particularly wide bursts. Further, the second set of tests examined dispersal following the burst when vibrations were induced in the rod, primarily via recovery activities such as Emergency Core Cooling System actuation leading to rapid water addition. Post-burst dispersal testing was performed by inducing sinusoidal oscillations with 2–25 nm peak-to-peak amplitude and 2–5 Hz frequencies in pre-burst rods that had been refilled with HfO 2 fragments or high-burnup fragment surrogate mixture of HfO 2 fragments and yttria-stabilized zirconia sands. Testing revealed that rods with large burst openings (7 mm wide in this work) led to unmitigated dispersal from above the burst zone but that smaller bursts (5 mm wide), although still much larger than the mean fragment size of 3 mm, led to effectively no dispersal because of interparticle locking. Additionally, mixture and moisture were found to impact the amount of dispersal: mixtures increased dispersal, and moisture drastically reduced it. The implications of these findings on likely dispersal from actual fuel are discussed.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Estimation of post-burst vibration-induced fuel dispersal thresholds following LOCA-simulant testing
The nuclear industry intends to increase burnup past the regulatory limit of 62 GWd/MTU, and to be successful, the dispersal behavior of fragmented high-burnup fuel during loss-of-coolant accidents must be better understood. Part of this behavior is fuel fragmentation, relocation, and dispersal. This work reports on testing concerning the dispersal of fuel from rods following burst and pressure blowdown through the burst. The Fuel Relocation Induced by Accident Recovery (FRIAR) system was used to examine surrogate material and pre-burst cladding specimens to evaluate the effects of vibrational loading, mixture composition, and burst size on post-burst dispersal. Vibrational loading resulted in maximum dispersal around 15 Hz when the loading was performed with peak-to-peak oscillation amplitudes at 0.5 and 1 mm. Here, under this aggressive vibrational loading, dispersal was found to become significant as burst widths increased to approximately 5 mm and larger. However, below 4 mm widths, little material dispersed out of the opening, even at 1 mm amplitudes and for more dispersive mixtures (smaller average fragments). At and above 7 mm widths, dispersal was rapid for all mixtures. Finally, dispersal in the threshold region (4–5 mm wide bursts) strongly depended on the mixture. For mixtures with large fragments, dispersal was minimized to a few fragments, as the large fragments proved to be effective at minimizing dispersal. Conversely, mixtures with smaller fragments showed increased dispersal in this region.
Burst geometry↗
Impact of Land Surface Heterogeneity on Mesoscale Atmospheric Dispersion
Prior numerical modelling studies show that atmospheric dispersion is sensitive to surface heterogeneities, but past studies do not consider the impact of a realistic distribution of surface heterogeneities on mesoscale atmospheric dispersion. While these focussed on dispersion in the convective boundary layer, the present work also considers dispersion in the nocturnal boundary layer and above. Using a Lagrangian particle dispersion model (LPDM) coupled to the Eulerian Regional Atmospheric Modeling System (RAMS), the impact of topographic, vegetation, and soil moisture heterogeneities on daytime and nighttime atmospheric dispersion is examined. In addition, the sensitivity to the use of Moderate Resolution Imaging Spectroradiometer (MODIS)-derived spatial distributions of vegetation characteristics on atmospheric dispersion is also studied. The impact of vegetation and terrain heterogeneities on atmospheric dispersion is strongly modulated by soil moisture, with the nature of dispersion switching from non-Gaussian to near- Gaussian behaviour for wetter soils (fraction of saturation soil moisture content exceeding 40%). For drier soil moisture conditions, vegetation heterogeneity produces differential heating and the formation of mesoscale circulation patterns that are primarily responsible for non-Gaussian dispersion patterns. Nighttime dispersion is very sensitive to topographic, vegetation, soil moisture, and soil type heterogeneity and is distinctly non-Gaussian for heterogeneous land-surface conditions. Sensitivity studies show that soil type and vegetation heterogeneities have the most dramatic impact on atmospheric dispersion. To provide more skillful dispersion calculations, we recommend the utilisation of satellite-derived vegetation characteristics coupled with data assimilation techniques that constrain soil-vegetation-atmosphere transfer (SVAT) models to generate realistic spatial distributions of surface energy fluxes.
Wu, Yuling↗
The Influence of Aqueous Dispersivity on Transport of Radiological Material at LANL MDA G - 20450
Aqueous dispersivity is a phenomenon by which a solute moving in groundwater mixes with water that does not contain the solute and becomes diluted. Solutes take paths of varying lengths through pore networks or experience slower velocities due to interactions with pore walls. Aqueous dispersivity leads to breakthrough curves with earlier arrival than expected in purely advective systems and persistent 'tails,' or late-arriving, dilute concentrations of the solute. Dispersivity can be longitudinal (in the direction of flow) or transverse (orthogonal to flow). LANL has disposed of radioactive material at Material Disposal Area (MDA) G since the late 1950's. Most of the disposed materials at MDA G are low-level waste (LLW), but other types of radioactive wastes are disposed or stored at the site. For example, there is a collection of remote-handled transuranic waste (RH-TRU) waste in 33 shafts, which were intended to be stored retrievably. Aqueous-phase radionuclides included in models of contaminant transport at MDA G are subject to dispersive processes in porous media of the vadose zone and saturated zone. To model dispersivity at MDA G probabilistically, we created site-specific distributions of aqueous dispersivity. First, we performed a comprehensive review of peer-reviewed publications, reports from other performance assessments of MDA G, and documentation from sites that were considered similar based on expert opinion, such as Yucca Mountain. Data were included from a wide range of sources, so that distributions developed based on the data reflect the current state of knowledge in properties of the subsurface environment. Data were grouped based on value type (e.g., determined via experiment or used in a different model), rock type, zone type (saturated or unsaturated), and site, and were weighted in the distributions according to their relevance to the site and zone type. We combined Monte Carlo simulation and bootstrapping techniques to produce approximate distributions of mean aqueous dispersivity. Distributions of dispersivity for saturated and unsaturated zone transport are differentiated by data weight and the length scales over which transport occurs. We find that underestimating or disregarding transverse dispersivity may lead to overstating simulated well capture in the saturated zone at MDA G. Neglecting transverse dispersivity is a common assumption due in part to use of one-dimensional transport models that do not consider solute spreading orthogonal to flow. Also, we find that variability in longitudinal dispersivity is associated with substantial travel time alterations in the MDA G unsaturated zone and in simulated contaminant breakthrough times at a downstream observation plane in the MDA G saturated zone. Finally, at large scales (>1000 m), a linear trend between the dispersivity coefficient and length over which transport occurs may overestimate the dispersivity coefficient. Future modeling work with application to solute spreading could include interacting advective and diffusive zones in the highly fractured basalt below MDA G. (authors)
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Testing the contribution of dispersal to microbial succession following a wildfire
ABSTRACT Given increased wildfire activity, there is growing interest in understanding the drivers of microbial succession after fire. Dispersal may be especially important to post-fire succession as biotic communities can be more susceptible to invasion following a disturbance. Here, we experimentally manipulated dispersal into disturbed leaf litter communities collected following a wildfire and tracked bacterial and fungal dispersal assemblages over time. We show that the identity and source of microbes immigrating into the soil surface post-fire change across time with seasonal shifts and the reemergence of aboveground vegetation. Further, dispersal significantly contributed to the reassembly of leaf litter microbial communities after the fire, producing an increasingly distinct assembly trajectory. The effect of dispersal on α-diversity and β-diversity was ecosystem dependent but, unexpectedly, influenced bacterial and fungal communities in a similar manner within ecosystems. Collectively, these results demonstrate that dispersal explicitly alters the course of microbial community succession following a wildfire and may impact bacteria and fungi in parallel ways, despite differing in traits expected to alter dispersal patterns. IMPORTANCE Identifying the mechanisms underlying microbial community succession is necessary for predicting how microbial communities, and their functioning, will respond to future environmental change. Dispersal is one mechanism expected to affect microbial succession, yet the difficult nature of manipulating microorganisms in the environment has limited our understanding of its contribution. Using a dispersal exclusion experiment, this study isolates the specific effect of environmental dispersal on bacterial and fungal community assembly over time following a wildfire. The work demonstrates the potential to quantify dispersal impacts on soil microbial communities over time and test how dispersal might further interact with other assembly processes in response to environmental change.
59 BASIC BIOLOGICAL SCIENCES↗
Routes and rates of bacterial dispersal impact surface soil microbiome composition and functioning
Abstract Recent evidence suggests that, similar to larger organisms, dispersal is a key driver of microbiome assembly; however, our understanding of the rates and taxonomic composition of microbial dispersal in natural environments is limited. Here, we characterized the rate and composition of bacteria dispersing into surface soil via three dispersal routes (from the air above the vegetation, from nearby vegetation and leaf litter near the soil surface, and from the bulk soil and litter below the top layer). We then quantified the impact of those routes on microbial community composition and functioning in the topmost litter layer. The bacterial dispersal rate onto the surface layer was low (7900 cells/cm2/day) relative to the abundance of the resident community. While bacteria dispersed through all three routes at the same rate, only dispersal from above and near the soil surface impacted microbiome composition, suggesting that the composition, not rate, of dispersal influenced community assembly. Dispersal also impacted microbiome functioning. When exposed to dispersal, leaf litter decomposed faster than when dispersal was excluded, although neither decomposition rate nor litter chemistry differed by route. Overall, we conclude that the dispersal routes transport distinct bacterial communities that differentially influence the composition of the surface soil microbiome.
59 BASIC BIOLOGICAL SCIENCES↗
Stable Aqueous Dispersions of Hydrophobically Modified Titanium Dioxide Pigments through Polyanion Adsorption: Synthesis, Characterization, and Application in Coatings
Polyanion dispersants stabilize aqueous dispersions of hydrophilic (native) inorganic oxide particles, including pigments currently used in paints, which are used at an annual scale of 3 million metric tons. While obtaining stable aqueous dispersions of hydrophobically modified particles has been desired for the promise of improved film performance and water barrier properties, it has until now required either prohibitively complex polyanions, which represent a departure from conventional dispersants, or multistep syntheses based on hybrid-material constructs. Here, we demonstrate the aqueous dispersion of alkylsilane-capped inorganic oxide pigments with conventional polycarboxylate dispersants, such as carboxymethylcellulose (CMC) and polyacrylate, as well as a commercial anionic copolymer. Contact-angle measurements demonstrate that the hydrophobically modified pigments retain significant hydrophobic character even after adsorbing polyanion dispersants. CMC adsorption isotherms demonstrate 92% greater polyanion loading on trimethylsilyl modified hydrophobic particles relative to native oxide at pH 8. However, consistent with prior literature, hydrophobically modified silica particles adsorb polyanions very weakly under these conditions. These data suggest that Lewis acidic heteroatoms such as Al 3+ sites on the pigment surface are necessary for polyanion adsorption. The adsorbed polyanions increase the dispersion stability and zeta potential of the particles. Based on particle sedimentation under centrifugal force, the hydrophobically modified pigments possess greater dispersion stability with polyanions than the corresponding native hydroxylated particles. The polyanions also assist in the aqueous wetting of the hydrophobic particles, facilitating the transition from a dry powder into an aqueous dispersion of primary particles using less agitation than the native hydroxylated pigment. The application of aqueous dispersions of hydrophobically modified oxide particles to waterborne coatings leads to films that display lower water uptake at high relative humidities and greater hydrophilic stain resistances. Finally, this improved film performance with hydrophobically modified pigments is the result of better association between latex polymer and pigment in the dry film.
36 MATERIALS SCIENCE↗
Sources of price dispersion in U.S. residential solar installations
Prices of solar PV have dropped dramatically, by half in just the past 6 years. But looking simply at prices paid today, there is considerable heterogeneity. For systems installed in 2014, the 10-90 percentile range for the observed $/W spans nearly a factor of 2. This apparent price dispersion raises policy relevant questions, such as: why are consumers paying more than they need to? And would better-informed consumers increase the social benefits of solar PV? This paper analyzes price dispersion in U.S. residential PV installations between 2008 and 2014. Focusing on the most commonly used metric in previous studies of price dispersion, we use the quarterly coefficient of variation (CV) as our measure of price dispersion. We find higher levels of price dispersion in our data (0.22) than the average of 55 previous studies we reviewed (0.16). We also find that price dispersion has been persistent; it has remained above 0.15 since 2000 with no trend over that period. If anything, price dispersion has been increasing recently during the period for which we have complete data, 2008-14. Econometric analysis of the factors affecting price dispersion supports theories from the economic literature focusing on access to information and the costs and benefits of consumer search. Factors that increase the consumer payoffs of investing time in searching for information—system size and the value of solar— are associated with lower levels of price dispersion. Factors that reduce the costs of search—neighbors who have recently installed solar and having third-party quotes available—are also associated with less price dispersion. These results provide support for the importance of public efforts to enhance access to price information, e.g. by supporting private sector price quote providers. The results also point to the particular need for information in nascent markets for PV in which access to the experience of neighbors is not available.
14 SOLAR ENERGY↗
Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident
This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.
11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
The scaling of stellar mass and central stellar velocity dispersion for quiescent galaxies at z < 0.7
We examine the relation between stellar mass and central stellar velocity dispersion—the M {sub *} σ relation—for massive quiescent galaxies at z < 0.7. We measure the local relation from the Sloan Digital Sky Survey and the intermediate redshift relation from the Smithsonian Hectospec Lensing Survey. Both samples are highly complete (>85%) and we consistently measure the stellar mass and velocity dispersion for the two samples. The M {sub *} σ relation and its scatter are independent of redshift with σ∝M{sub ∗}{sup 0.3} for M {sub *} ≳ 10{sup 10.3} M {sub ⊙}. The measured slope of the M {sub *} σ relation is the same as the scaling between the total halo mass and the dark matter halo velocity dispersion obtained by N-body simulations. This consistency suggests that massive quiescent galaxies are virialized systems, where the central dark matter concentration is either a constant or negligible fraction of the stellar mass. The relation between the total galaxy mass (stellar + dark matter) and the central stellar velocity dispersion is consistent with the observed relation between the total mass of a galaxy cluster and the velocity dispersion of the cluster members. This result suggests that the central stellar velocity dispersion is directly proportional to the velocity dispersion of the dark matter halo. Thus, the central stellar velocity dispersion is a fundamental, directly observable property of galaxies, which may robustly connect galaxies to dark matter halos in N-body simulations. To interpret the results further in the context of ΛCDM, it would be useful to analyze the relationship between the velocity dispersion of stellar particles and the velocity dispersion characterizing their dark matter halos in high-resolution cosmological hydrodynamic simulations.
79 ASTRONOMY AND ASTROPHYSICS↗
Self-consistent dispersal puts tight constraints on the spatiotemporal organization of species-rich metacommunities
Dispersal can be critical to the maintenance of ecosystems as it allows local communities to be recolonized after extinction. However, it remains unclear whether the extinction-mitigating effect of dispersal persists when the number of competing species is large. Based on a spatially explicit mathematical description of metacommunities, we show that when many species coexist, each species operates near its extinction threshold, barely surviving due to dispersal. This has general consequences for spatiotemporal abundance patterns. For short-range dispersal, species organize into fractal spatiotemporal extinction patterns characteristic of a directed percolation phase transition. As species approach their extinction threshold, biodiversity is very sensitive to perturbation, suggesting that dispersal within a metacommunity puts tight constraints on the robustness and evolution of species-rich metacommunities. Biodiversity is often attributed to a dynamic equilibrium between the immigration and extinction of species. This equilibrium forms a common basis for studying ecosystem assembly from a static reservoir of migrants—the mainland. Yet, natural ecosystems often consist of many coupled communities (i.e., metacommunities), and migration occurs between these communities. The pool of migrants then depends on what is sustained in the ecosystem, which, in turn, depends on the dynamic migrant pool. This chicken-and-egg problem of survival and dispersal is poorly understood in communities of many competing species, except for the neutral case—the “unified neutral theory of biodiversity.” Employing spatiotemporal simulations and mean-field analyses, we show that self-consistent dispersal puts rather tight constraints on the dynamic migration–extinction equilibrium. When the number of species is large, species are pushed to the edge of their global extinction, even when competition is weak. As a consequence, the overall diversity is highly sensitive to perturbations in demographic parameters, including growth and dispersal rates. When dispersal is short range, the resulting spatiotemporal abundance patterns follow broad scale-free distributions that correspond to a directed percolation phase transition. The qualitative agreement of our results for short-range and long-range dispersal suggests that this self-organization process is a general property of species-rich metacommunities. Our study shows that self-sustaining metacommunities are highly sensitive to environmental change and provides insights into how biodiversity can be rescued and maintained.
54 ENVIRONMENTAL SCIENCES↗
Accounting for the dispersion in the x ray properties of early-type galaxies
The x ray luminosities of early-type galaxies are correlated with their optical (e.g., blue) luminosities (L sub X approx. L sub B exp 1.6), but the x ray luminosities exhibit considerable scatter for a given optical luminosity L sub B. This dispersion in x ray luminosity is much greater than the dispersion of other properties of early-type galaxies (for a given L sub B), such as luminosity scale-length, velocity dispersion, color, and metallicity. Here, researchers consider several possible sources for the dispersion in x ray luminosity. Some of the scatter in x ray luminosity may result from stellar population variations between galaxies with similar L sub B. Since the x ray emitting gas is from accumulated stellar mass loss, the L sub X dispersion may be due to variations in integrated stellar mass loss rates. Another possible cause of the L sub X dispersion may be variations in the amount of cool material in the galaxies; cool gas may act as an energy sink for the hot gas. Infrared emission may be used to trace such cool material, so researchers look for a correlation between the infrared emission and the x ray emission of early-type galaxies at fixed L sub B. Velocity dispersion variations between galaxies of similar L sub B may also contribute to the L sub X dispersion. The most likely a priori source of the dispersion in L sub X is probably the varying amount of ram-pressure stripping in a range of galaxy environments. The hot gaseous halos of early-type galaxies can be stripped in encounters with other galaxies or with ambient cluster gas if the intracluster gas is sufficiently dense. Researchers find that the most likely cause of dispersion in the x ray properties of early type galaxies is probably the ram-pressure stripping of gaseous halos from galaxies. For a sample of 81 early-type galaxies with x ray luminosities or upper limits derived from Einstein Observatory observations (CFT) researchers calculated the cumulative distribution of angular distances between the x ray sample members and bright galaxies from the Revised Shapley - Ames catalog. Collectively, galaxies with low x ray luminosities (for a given L sub B) tend to be in denser environments than galaxies with higher x ray luminosities.
White, Raymond E., III↗
Catalysis on Singly Dispersed Rh Atoms Anchored on an Inert Support
A metal catalyst supported on an inert substrate could consist of both metal nanoparticles and singly dispersed metal atoms. Whether these singly dispersed metal atoms are active and how different their catalytic mechanism could be in contrast to a supported metal catalyst are fundamentally important for understanding catalysis on a supported metal or oxide. In this study, by taking reduction of NO with CO on singly dispersed Rh atoms anchored on an inert support SiO 2 as a probe system (Rh 1 /SiO 2 ), we demonstrated how singly dispersed metal atoms on an inert support could perform a complex multi-step catalytic cycle through a mechanism distinctly different from that for a supported metal nanoparticle with continuously packed metal sites. These singly dispersed Rh 1 atoms anchored on SiO 2 are active in reducing nitric oxide with carbon monoxide through two reaction pathways that are different from those of Rh nanoparticles. In situ IR studies show that a CO molecule and a NO molecule coadsorb on a singly dispersed Rh atom, Rh 1 anchored on SiO 2 , and couple to form an N atom to adsorb on the surface and a CO 2 molecule to desorb. The adsorbed N atom further couples with another CO molecule in the gas phase to form an intermediate -NCO on Rh 1 ; this intermediate can directly couple with an NO molecule adsorbed on the same Rh1 to form N 2 and CO 2 . In another pathway, the adsorbed N atom can couple with a coadsorbed NO on the same Rh 1 to form N 2 O; N 2 O further reacts with adsorbed CO on the same Rh 1 to form N 2 and CO 2 through a high activation barrier that can be overcome at a high temperature. Our studies show that the singly dispersed metal atoms on an inert support have great potential to perform selective transformation of chemicals. Lastly, the confirmed catalysis with a singly dispersed Rh 1 on SiO 2 through a mechanism different from a metal nanoparticle supported on the same substrate suggests the significance of taking the single-atom catalysis (SAC) into fundamental studies of catalysis of a supported metal catalyst, since metal nanoparticles and singly dispersed metal atoms likely coexist on the inert support of many supported catalysts.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dispersion formulas in QFTs, CFTs and holography
We study momentum space dispersion formulas in general QFTs and their applications for CFT correlation functions. We show, using two independent methods, that QFT dispersion formulas can be written in terms of causal commutators. The first derivation uses analyticity properties of retarded correlators in momentum space. The second derivation uses the largest time equation and the defining properties of the time-ordered product. At four points we show that the momentum space QFT dispersion formula depends on the same causal double-commutators as the CFT dispersion formula. At n -points, the QFT dispersion formula depends on a sum of nested advanced commutators. For CFT four-point functions, we show that the momentum space dispersion formula is equivalent to the CFT dispersion formula, up to possible semi-local terms. We also show that the Polyakov-Regge expansions associated to the momentum space and CFT dispersion formulas are related by a Fourier transform. In the process, we prove that the momentum space conformal blocks of the causal double-commutator are equal to cut Witten diagrams. Finally, by combining the momentum space dispersion formulas with the AdS Cutkosky rules, we find a complete, bulk unitarity method for AdS/CFT correlators in momentum space.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
R –8 Dispersion Interaction: Derivation and Application to the Effective Fragment Potential Method
The anisotropic and isotropic R –8 dispersion contributions (disp8) are derived and implemented within the framework of the effective fragment potential (EFP) method formulated with imaginary frequency-dependent Cartesian polarizability tensors distributed at the centroids of the localized molecular orbitals (LMOs). Two forms of damping functions, intermolecular overlap-based and Tang–Toennies, are extended for disp8. To obtain LMO polarizability tensors centered at LMO centroids, an origin-shifting transformation is derived and implemented for the dipole–octopole polarizability tensor and the quadrupole–quadrupole polarizability tensor. The analytic gradient is derived and implemented for the isotropic disp8 contribution. Relative to the previously implemented empirical EFP disp8 energy, the isotropic disp8 component of the interaction energy improves the overall agreement of the EFP dispersion energies with the symmetry-adapted perturbation theory (SAPT) benchmarks, reducing the mean absolute errors (MAEs) and mean absolute percentage errors for most of the databases examined in this work. Further, while the anisotropic disp8 can further enhance the accuracy of the EFP dispersion energy and yield smaller MAEs, significantly overbound dispersion energies are predicted by the anisotropic disp8 when the maximum element in the intermolecular overlap matrix is greater than 0.1, possibly due to the breakdown of the approximations made in the EFP dispersion derivation at a short range. For potential energy scan databases, the newly developed EFP dispersion model with isotropic disp8 yields the overall correct curvature and good agreement with SAPT benchmarks around equilibrium and longer but overestimates the dispersion interactions at a short range. While the overlap-based dispersion-damping functions produce better MAEs than Tang–Toennies damping functions, further improvement is needed to better screen the large attractive dispersion energies at a short range (overlap >0.1).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
BASS. XXVI. DR2 Host Galaxy Stellar Velocity Dispersions
We present new central stellar velocity dispersions for 484 Sy 1.9 and Sy 2 from the second data release of the Swift/BAT AGN Spectroscopic Survey (BASS DR2). This constitutes the largest study of velocity dispersion measurements in X-ray-selected obscured active galactic nuclei (AGN) with 956 independent measurements of the Ca II H and K λ3969, 3934 and Mg I λ5175 region (3880–5550 Å) and the calcium triplet region (8350–8730 Å) from 642 spectra mainly from VLT/X-Shooter or Palomar/DoubleSpec. Our sample spans velocity dispersions of 40–360 km s 1 , corresponding to 4–5 orders of magnitude in black hole mass (M BH = 10 5.5-9.6 M ⊙ ), bolometric luminosity (L bol ~ 10 42–46 erg s -1 ), and Eddington ratio (L/L Edd ~ 10 -5 to 2). For 281 AGN, our data and analysis provide the first published central velocity dispersions, including six AGN with low-mass black holes (M BH = 10 5.5-6.5 M ⊙ ), discovered thanks to high spectral resolution observations (σ inst ~ 25 km s -1 ). The survey represents a significant advance with a nearly complete census of velocity dispersions of hard X-ray–selected obscured AGN with measurements for 99% of nearby AGN (z < 0.1) outside the Galactic plane (|b| > 10°). The BASS AGN have much higher velocity dispersions than the more numerous optically selected narrow-line AGN (i.e., ~150 versus ~100 km s -1 ) but are not biased toward the highest velocity dispersions of massive ellipticals (i.e., >250 km s -1 ). Despite sufficient spectral resolution to resolve the velocity dispersions associated with the bulges of small black holes (~10 4–5 M ⊙ ), we do not find a significant population of super-Eddington AGN. Using estimates of the black hole sphere of influence from velocity dispersion, direct stellar and gas black hole mass measurements could be obtained with existing facilities for more than ~100 BASS AGN.
79 ASTRONOMY AND ASTROPHYSICS↗