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At least 307 records · Page 17

Materials Data on AgN by Materials Project

NAg crystallizes in the monoclinic Pm space group. The structure is one-dimensional and consists of two NAg ribbons oriented in the (1, 0, 0) direction. Ag3+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 1.91 Å. N3- is bonded in a linear geometry to two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AgN by Materials Project

NAg is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing AgN6 pentagonal pyramids. All Ag–N bond lengths are 2.34 Å. N3- is bonded to six equivalent Ag3+ atoms to form a mixture of distorted corner, edge, and face-sharing NAg6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on AgN by Materials Project

NAg crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two NAg sheets oriented in the (0, 0, 1) direction. Ag3+ is bonded in a distorted square co-planar geometry to four equivalent N3- atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Ag–N bond lengths. N3- is bonded to four equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing NAg4 trigonal pyramids.

36 MATERIALS SCIENCE↗

Small bimetallic clusters Agn-1M (M = Au, Co, Cu, Ni, Pd, Pt; n = 3, 9, 15): Density functional theory and genetic algorithm

We investigated the effect of size and composition on the properties of bimetallic nanoclusters. The geometric structures, stabilities, and electronic properties of size-selected Ag n-1 M (M = Au, Co, Cu, Ni, Pd, Pt; n = 3, 9, 15) bimetallic nanoclusters are systematically analyzed using spin-polarized density functional theory (DFT) within the generalized gradient approximation (GGA). We determine the most stable geometries for these clusters using a genetic algorithm (GA) in combination with DFT. Our results show that doping pure silver clusters with an M atom (transition metal), referred to as a “guest atom”, increases the stability as compared to pure Ag n (n = 3, 9, 15) clusters. The results for various properties including formation energy per atom, electronic structure, magnetic moments, and vibrational density of states (VDOS) are evaluated as a function of both size and composition of the system. The adsorption of selected bimetallic clusters on hydroxylated alumina substrate shows weak binding and minor changes in geometric properties except for Ag 8 Pt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Connecting radio emission to AGN wind properties with broad absorption line quasars

ABSTRACT Broad absorption line quasars (BALQSOs) show strong signatures of powerful outflows, with the potential to alter the cosmic history of their host galaxies. These signatures are only seen in ∼10 per cent of optically selected quasars, although the fraction significantly increases in IR and radio selected samples. A proven physical explanation for this observed fraction has yet to be found, along with a determination of why this fraction increases at radio wavelengths. We present the largest sample of radio matched BALQSOs using the LOFAR Two-metre Sky Survey Data Release 2 and employ it to investigate radio properties of BALQSOs. Within the DR2 footprint, there are 3537 BALQSOs from Sloan Digital Sky Survey DR12 with continuum signal-to-noise ≥5. We find radio-detections for 1108 BALQSOs, with an important subpopulation of 120 LoBALs, an unprecedented sample size for radio matched BALQSOs given the sky coverage to date. BALQSOs are a radio-quiet population that show an increase of ×1.50 radio-detection fraction compared to non-BALQSOs. LoBALs show an increase of ×2.22 that of non-BALQSO quasars. We show that this detection fraction correlates with wind-strength, reddening, and C iv emission properties of BALQSOs and that these features may be connected, although no single property can fully explain the enhanced radio detection fraction. We create composite spectra for subclasses of BALQSOs based on wind strength and colour, finding differences in the absorption profiles of radio-detected and radio-undetected sources, particularly for LoBALs. Overall, we favour a wind-ISM interaction explanation for the increased radio-detection fraction of BALQSOs.

79 ASTRONOMY AND ASTROPHYSICS↗

A resolved study of the inner regions of nearby galaxies with an excess of young massive stars: missing link in the AGN–starburst connection?

ABSTRACT We have selected galaxies with very high levels of H α emission (EQW(H α) >700 Å.) in their central regions from the final data release of the MaNGA survey. Our study focuses on 14 very well-resolved nearby galaxies with stellar masses in the range 9.5 < log M*/(M⊙) < 11.5. We investigate a variety of procedures for selecting galaxy regions that are likely to harbour excess populations of young massive stars, finding that selection in the 2D space of extinction-corrected H α EQW and [S iii]/[S ii] line ratio produces the best results. By comparing stacked spectra covering these regions with stacked spectra covering normal starburst regions with 100 Å<EQW(H α) <200 Å, we obtain the following main results: (1) Clear signatures of excess Wolf–Rayet stars are found in half of the H α excess regions, (2) galaxy regions containing excess Wolf–Rayet stars are more often associated with the presence of high-ionization emission lines characteristic of accreting black holes. Excess [Ne iii] is detected in 4 out of 8 of the WR regions and there are tentative [Fe x] detections in 2 galaxies. (3) Regions of the galaxy with excess Wolf–Rayet stars are located where the interstellar medium has larger ionized gas turbulent velocities and higher neutral gas overdensities. We make a first attempt to constrain changes in the high-mass end of the stellar initial mass function (IMF) using the HR-pyPopStar evolutionary population synthesis models that include high-wavelength-resolution theoretical atmosphere libraries for Wolf–Rayet stars.

Kauffmann, Guinevere↗

Stellar population and metal production in AGN discs

ABSTRACT As gravitational wave detections increase the number of observed compact binaries (consisting of neutron stars or blacks), we begin to probe the different conditions producing these binaries. Most studies of compact remnant formation focus either on stellar collapse from the evolution of field binary stars in gas-free environments or on the formation of stars in clusters where dynamical interactions capture the compact objects, forming binaries. But a third scenario exists. In this paper, we study the fate of massive stars formed, accrete gas, and evolve in the dense discs surrounding supermassive black holes. We calculate the explosions produced and compact objects formed by the collapse of these massive stars. Nucleosynthetic yields may provide an ideal, directly observable, diagnostic of the formation and fate of these stars in active galactic nuclei. We present a first study of the explosive yields from these stars, comparing these yields with the observed nucleosynthetic signatures in the discs around supermassive stars with quasars. We show that, even though these stars tend to form black holes, their rapid rotation leads to discs that can eject a considerable amount of iron during the collapse of the star. The nucleosynthetic yields from these stars can produce constraints on the number of systems formed in this manner, but further work is needed to exploit variations from the initial models presented in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗

Physics Model For The Agn-201 Dt

The surrogate model is a Gaussian Process Regression model based on sci-kit learn. The model takes the coarse and fine control rod position, along with the temperature of the reactor, and produces a corresponding k-eff value. Given k-eff over time, deviations can be determine and flagged for review at a later date.

Stewart, RyanH. [Idaho National Laboratory (INL), ↗