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At least 199 records · Page 11

On the outer edges of protoplanetary dust disks

The expectation that aerodynamic drag will force the solids in a gas-rich protoplanetary disk to spiral in toward the host star on short timescales is one of the fundamental problems in planet formation theory. The nominal efficiency of this radial drift process is in conflict with observations, suggesting that an empirical calibration of solid transport mechanisms in a disk is highly desirable. However, the fact that both radial drift and grain growth produce a similar particle size segregation in a disk (such that larger particles are preferentially concentrated closer to the star) makes it difficult to disentangle a clear signature of drift alone. We highlight a new approach, by showing that radial drift leaves a distinctive 'fingerprint' in the dust surface density profile that is directly accessible to current observational facilities. Using an analytical framework for dust evolution, we demonstrate that the combined effects of drift and (viscous) gas drag naturally produce a sharp outer edge in the dust distribution (or, equivalently, a sharp decrease in the dust-to-gas mass ratio). This edge feature forms during the earliest phase in the evolution of disk solids, before grain growth in the outer disk has made much progress, and is preserved over longer timescales when both growth and transport effects are more substantial. The key features of these analytical models are reproduced in detailed numerical simulations, and are qualitatively consistent with recent millimeter-wave observations that find gas/dust size discrepancies and steep declines in dust continuum emission in the outer regions of protoplanetary disks.

79 ASTRONOMY AND ASTROPHYSICS↗

RAMAN SCATTERING BY MOLECULAR HYDROGEN AND NITROGEN IN EXOPLANETARY ATMOSPHERES

An important source of opacity in exoplanet atmospheres at short visible and near-UV wavelengths is Rayleigh scattering of light on molecules. It is accompanied by a related, albeit weaker process—Raman scattering. We analyze the signatures of Raman scattering imprinted in the reflected light and the geometric albedo of exoplanets, which could provide information about atmospheric properties. Raman scattering affects the geometric albedo spectra of planets in the following ways. First, it causes filling-in of strong absorption lines in the incident radiation, thus producing sharp peaks in the albedo. Second, it shifts the wavelengths of spectral features in the reflected light causing the so-called Raman ghost lines. Raman scattering can also cause a broadband reduction of the albedo due to wavelength shifting of a stellar spectrum with red spectral index. Observing the Raman peaks in the albedo could be used to measure the column density of gas, thus providing constraints on the presence of clouds in the atmosphere. Observing the Raman ghost lines could be used to spectroscopically identify the main scatterer in the atmosphere, even molecules like H{sub 2} or N{sub 2}, which do not have prominent spectral signatures in the optical wavelength range. If detected, ghost lines could also provide information about the temperature of the atmosphere. In this paper, we investigate the effects of Raman scattering in hydrogen- and nitrogen-dominated atmospheres. We analyze the feasibility of detecting the signatures of Raman scattering with the existing and future observational facilities, and of using these signatures as probes of exoplanetary atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Evidence for a parsec-scale jet from the galactic center black hole: Interaction with local gas

Despite strong physical reasons that they should exist and decades of searching, jets from the Galactic center black hole, Sgr A*, have not yet been convincingly detected. Based on high-resolution Very Large Array images and ultra-deep imaging-spectroscopic data produced by the Chandra X-ray Observatory, we report new evidence for the existence of a parsec-scale jet from Sgr A*, by associating a linear feature G359.944–0.052, previously identified in X-ray images of the Galactic center, with a radio shock front on the Eastern Arm of the Sgr A West H II region. We show that the shock front can be explained in terms of the impact of a jet having a sharp momentum peak along the Galaxy's rotation axis, whereas G359.944–0.052, a quasi-steady feature with a power-law spectrum, can be understood as synchrotron radiation from shock-induced ultra-relativistic electrons cooling in a finite post-shock region downstream along the jet path. Several interesting implications of the jet properties are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum dynamical effects of vibrational strong coupling in chemical reactivity

Abstract Recent experiments suggest that ground state chemical reactivity can be modified when placing molecular systems inside infrared cavities where molecular vibrations are strongly coupled to electromagnetic radiation. This phenomenon lacks a firm theoretical explanation. Here, we employ an exact quantum dynamics approach to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling to either the reaction coordinate or a non-reactive mode, and the coupling of the cavity to lossy modes. Thus, many of the most important features needed for realistic modeling of the cavity modification of chemical reactions are included. We find that when a molecule is coupled to an optical cavity it is essential to treat the problem quantum mechanically to obtain a quantitative account of alterations to reactivity. We find sizable and sharp changes in the rate constant that are associated with quantum mechanical state splittings and resonances. The features that emerge from our simulations are closer to those observed in experiments than are previous calculations, even for realistically small values of coupling and cavity loss. This work highlights the importance of a fully quantum treatment of vibrational polariton chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fermi’s Golden Rule Rate Expression for Transitions Due to Nonadiabatic Derivative Couplings in the Adiabatic Basis

Starting from a general molecular Hamiltonian expressed in the basis of adiabatic electronic and nuclear position states, where a compact and complete expression for the nonadiabatic derivative coupling (NDC) Hamiltonian term is obtained, we provide a general analysis of the Fermi’s golden rule (FGR) rate expression for nonadiabatic transitions between adiabatic states. We then consider a quasi-adiabatic approximation that uses crude adiabatic states and NDC couplings, both evaluated at the minimum potential energy configuration of the initial adiabatic state, for the definition of the zeroth and first-order terms of the Hamiltonian. Although the application of this approximation is rather limited, it allows deriving a general FGR rate expression without further approximation while accounting for non-Condon contribution to the FGR rate arising from momentum operators of NDC terms and its coupling with vibronic displacements. For a generic and widely used model where all nuclear degrees of freedom and environmental effects are represented as linearly coupled harmonic oscillators, we derive a closed-form FGR rate expression that requires only Fourier transform. The resulting rate expression includes quadratic contributions of NDC terms and their couplings to Franck–Condon modes, which require evaluation of two additional bath spectral densities in addition to the conventional one that appears in a typical FGR rate theory based on the Condon approximation. Model calculations for the case where nuclear vibrations consist of both a sharp high-frequency mode and an Ohmic bath spectral density illustrate new features and implications of the rate expression. We then apply our theoretical expression to the nonradiative decay from the first excited singlet state of azulene, which illustrates the utility and implications of our theoretical results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Confined lattice dynamics of single and quadruple SnSe bilayers in [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals

The Sn specific densities of phonon states in the SnSe subunits of [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals with (m,n) = (1,1), (4,1) and in bulk SnSe were derived from nuclear inelastic scattering by the 119 Sn M ssbauer resonance. When using different measurement configurations, phonons with polarization parallel and perpendicular to the ferecrystal plane were specifically probed. Vibrational properties and phonon spectral weight are found to strongly depend on the phonon polarization and layer count m. Moreover, a highly peculiar feature of these ferecrystal densities of phonon states is the emergence of rather sharp high energy vibrational modes polarized perpendicular to the ferecrystal plane, which contrasts with usual findings in thin layered structures and nanostructured materials in general, and a depletion of modes with a gap appearing between acoustic and high energy modes. The spectral weight of these phonons depends on the overall SnSe content, m, but cannot be unambiguously attributed to SnSe MoSe 2 interfaces. Considering the low energy part of lattice dynamics, ferecrystals exhibit rather low average phonon group velocities as compared to the speed of sound in the long wavelength limit. For the (1,1) ferecrystal, this effect is most pronounced for vibrations polarized in the ferecrystal plane. Therefore, an experimental microscopic origin for the vibrational and bonding anisotropy in subunits of ferecrystals is provided.

36 MATERIALS SCIENCE↗

Robustness of predator-prey models for confinement regime transitions in fusion plasmas

Energy transport and confinement in tokamak fusion plasmas is usually determined by the coupled nonlinear interactions of small-scale drift turbulence and larger scale coherent nonlinear structures, such as zonal flows, together with free energy sources such as temperature gradients. Zero-dimensional models, designed to embody plausible physical narratives for these interactions, can help to identify the origin of enhanced energy confinement and of transitions between confinement regimes. A prime zero-dimensional paradigm is predator-prey or Lotka-Volterra. Here, we extend a successful three-variable (temperature gradient; microturbulence level; one class of coherent structure) model in this genre [M. A. Malkov and P. H. Diamond, Phys. Plasmas 16, 012504 (2009)], by adding a fourth variable representing a second class of coherent structure. This requires a fourth coupled nonlinear ordinary differential equation. We investigate the degree of invariance of the phenomenology generated by the model of Malkov and Diamond, given this additional physics. We study and compare the long-time behaviour of the three-equation and four-equation systems, their evolution towards the final state, and their attractive fixed points and limit cycles. We explore the sensitivity of paths to attractors. It is found that, for example, an attractive fixed point of the three-equation system can become a limit cycle of the four-equation system. Addressing these questions which we together refer to as 'robustness' for convenience is particularly important for models which, as here, generate sharp transitions in the values of system variables which may replicate some key features of confinement transitions. Our results help to establish the robustness of the zero-dimensional model approach to capturing observed confinement phenomenology in tokamak fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Shocks in the stacked Sunyaev-Zel’dovich profiles of clusters II: Measurements from SPT-SZ + Planck Compton- y map

ABSTRACT We search for the signature of cosmological shocks in stacked gas pressure profiles of galaxy clusters using data from the South Pole Telescope (SPT). Specifically, we stack the latest Compton-y maps from the 2500 deg2 SPT-SZ survey on the locations of clusters identified in that same data set. The sample contains 516 clusters with mean mass $\langle M_{\rm 200m}\rangle = 10^{14.9} \, {\rm M}_\odot$ and redshift 〈z〉 = 0.55. We analyse in parallel a set of zoom-in hydrodynamical simulations from the three hundred project. The SPT-SZ data show two features: (i) a pressure deficit at R/R200m = 1.08 ± 0.09, measured at 3.1σ significance and not observed in the simulations, and; (ii) a sharp decrease in pressure at R/R200m = 4.58 ± 1.24 at 2.0σ significance. The pressure deficit is qualitatively consistent with a shock-induced thermal non-equilibrium between electrons and ions, and the second feature is consistent with accretion shocks seen in previous studies. We split the cluster sample by redshift and mass, and find both features exist in all cases. There are also no significant differences in features along and across the cluster major axis, whose orientation roughly points towards filamentary structure. As a consistency test, we also analyse clusters from the Planck and Atacama Cosmology Telescope Polarimeter surveys and find quantitatively similar features in the pressure profiles. Finally, we compare the accretion shock radius ($R_{\rm sh,\, acc}$) with existing measurements of the splashback radius (Rsp) for SPT-SZ and constrain the lower limit of the ratio, $R_{\rm sh,\, acc}/R_{\rm sp}\gt 2.16 \pm 0.59$.

79 ASTRONOMY AND ASTROPHYSICS↗

Alteration trends and geochemical source region characteristics preserved in the fluviolacustrine sedimentary record of Gale crater, Mars

The Mars Science Laboratory’s Chemistry and Camera (ChemCam) instrument suite on-board the Curiosity rover has analysed ~1200 sedimentary targets during the mission up to sol 1482. These targets have included sedimentary rock, diagenetic features (e.g., fracture-associated alteration halos, mineral veins, nodules, and erosion resistant raised ridges), active aeolian fines, soils and float. We have isolated ChemCam geochemical trends relating to diagenetic features and alteration products from those of the sedimentary rock in order to identify the compositional characteristics of Gale crater’s sediment source regions. The effects of grain size variation on sedimentary unit geochemistry have been taken into account by grouping and analysing geological units according to grain size. With obvious diagenetic features removed from the database, and predominately isochemical aqueous alteration inferred for the Mt Sharp Group samples, we propose that source region composition is a stronger source of geochemical change between the Bradbury and Mt Sharp Groups than open-system alteration. Additionally, a lack of correlation between the Chemical Index of Alteration (CIA) values and SiO 2 , MgO or FeO T indicates that the slight increase in chemical weathering of the Mt Sharp Group sediments was insufficient to overprint sediment source compositional signatures. This has led to the identification of five unique igneous endmember compositions which we hypothesise to have contributed to Gale crater’s stratigraphic record. These endmembers are: (1) a subalkaline basalt, compositionally similar to the tholeiitic Adirondack Class basalts of Gusev crater, and dominant within the finer grained units up to the base of Mt Sharp; (2) a trachybasalt, mostly identified within conglomerate units from the Darwin waypoint to the base of Mt Sharp; (3) a potassium-rich volcanic source, determined from strong potassium enrichment and a high abundance of sanidine that is most dominant in the fluvial sandstones and conglomerates of the Kimberley formation; (4) a highly evolved, silica-rich igneous source that correlates with the presence of tridymite, and is recorded in the lacustrine mudstone of Mt Sharp’s Marias Pass locality; and, (5) a fractionated, relatively SiO 2 -rich subalkaline basalt, seen to have influenced the composition of mudstone deposited in the lower part of the Mt Sharp Group. Endmembers (1), (2), (3), and (4) have previously been identified at specific waypoints along the rover’s traverse, but we show that their influence extends throughout Gale’s stratigraphic record. The occurrence of detected endmembers is also strongly correlated with stratigraphic position, which suggests changing sediment source regions with time. We conclude that Gale sediment provenances were much more varied than suggested by the largely homogenous, globally-distributed Martian basalt inferred from orbit, showing that complex magmatic assemblages exist within the ancient highland crust surrounding Gale.

58 GEOSCIENCES↗

Vertically oriented arrays of ReS 2 nanosheets for electrochemical energy storage and electrocatalysis

Here, transition-metal dichalcogenide (TMD) nanolayers show potential as high-performance catalysts in energy conversion and storage devices. Synthetic TMDs produced by chemical-vapor deposition (CVD) methods tend to grow parallel to the growth substrate. Here, we show that with the right precursors and appropriate tuning of the CVD growth conditions, ReS 2 nanosheets can be made to orient perpendicular to the growth substrate. This accomplishes two important objectives; first, it drastically increases the wetted or exposed surface area of the ReS 2 sheets, and second, it exposes the sharp edges and corners of the ReS 2 sheets. We show that these structural features of the vertically grown ReS 2 sheets can be exploited to significantly improve their performance as polysulfide immobilizers and electrochemical catalysts in lithium–sulfur (Li–S) batteries and in hydrogen evolution reactions (HER). After 300 cycles, the specific capacity of the Li–S battery with vertical ReS 2 catalyst is retained above 750 mA h g –1 , with only ~0.063% capacity decay per cycle, much better than the baseline battery (without ReS 2 ), which shows ~0.184% capacity decay per cycle under the same test conditions. As a HER catalyst, the vertical ReS 2 provides very small onset overpotential (<100 mV) and an exceptional exchange-current density (~67.6 μA/cm 2 ), which is vastly superior to the baseline electrode without ReS 2 .

2D materials↗

SU-E-J-252: Reproducibility of Radiogenomic Image Features: Comparison of Two Semi-Automated Segmentation Methods

Purpose: Objective and reliable quantification of imaging phenotype is an essential part of radiogenomic studies. We compared the reproducibility of two semi-automatic segmentation methods for quantitative image phenotyping in magnetic resonance imaging (MRI) of glioblastoma multiforme (GBM). Methods: MRI examinations with T1 post-gadolinium and FLAIR sequences of 10 GBM patients were downloaded from the Cancer Image Archive site. Two semi-automatic segmentation tools with different algorithms (deformable model and grow cut method) were used to segment contrast enhancement, necrosis and edema regions by two independent observers. A total of 21 imaging features consisting of area and edge groups were extracted automatically from the segmented tumor. The inter-observer variability and coefficient of variation (COV) were calculated to evaluate the reproducibility. Results: Inter-observer correlations and coefficient of variation of imaging features with the deformable model ranged from 0.953 to 0.999 and 2.1% to 9.2%, respectively, and the grow cut method ranged from 0.799 to 0.976 and 3.5% to 26.6%, respectively. Coefficient of variation for especially important features which were previously reported as predictive of patient survival were: 3.4% with deformable model and 7.4% with grow cut method for the proportion of contrast enhanced tumor region; 5.5% with deformable model and 25.7% with grow cut method for the proportion of necrosis; and 2.1% with deformable model and 4.4% with grow cut method for edge sharpness of tumor on CE-T1W1. Conclusion: Comparison of two semi-automated tumor segmentation techniques shows reliable image feature extraction for radiogenomic analysis of GBM patients with multiparametric Brain MRI.

60 APPLIED LIFE SCIENCES↗

Stacking-dependent electronic property of trilayer graphene epitaxially grown on Ru(0001)

The growth, atomic structure, and electronic property of trilayer graphene (TLG) on Ru(0001) were studied by low temperature scanning tunneling microscopy and spectroscopy in combined with tight-binding approximation (TBA) calculations. TLG on Ru(0001) shows a flat surface with a hexagonal lattice due to the screening effect of the bottom two layers and the AB-stacking in the top two layers. The coexistence of AA- and AB-stacking in the bottom two layers leads to three different stacking orders of TLG, namely, ABA-, ABC-, and ABB-stacking. STS measurements combined with TBA calculations reveal that the density of states of TLG with ABC- and ABB-stacking is characterized by one and two sharp peaks near to the Fermi level, respectively, in contrast to the V-shaped feature of TLG with ABA-stacking. Our work demonstrates that TLG on Ru(0001) might be an ideal platform for exploring stacking-dependent electronic properties of graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The detection of an extremely bright fast radio burst in a phased array feed survey

We report the detection of an ultra-bright fast radio burst (FRB) from a modest, 3.4-day pilot survey with the Australian Square Kilometre Array Pathfinder. The survey was conducted in a wide-field fly’s-eye configuration using the phased-array-feed technology deployed on the array to instantaneously observe an effective area of 160 deg{sup 2}, and achieve an exposure totaling 13200 deg{sup 2} hr . We constrain the position of FRB 170107 to a region 8{sup ′}×8{sup ′} in size (90% containment) and its fluence to be 58 ± 6 Jy ms. The spectrum of the burst shows a sharp cutoff above 1400 MHz, which could be due to either scintillation or an intrinsic feature of the burst. This confirms the existence of an ultra-bright (>20 Jy ms) population of FRBs.

79 ASTRONOMY AND ASTROPHYSICS↗

Investigation of a “Sharps” Incident

Special nuclear material research, process development, technology demonstration, and manufacturing capabilities are provided at the Los Alamos National Laboratory Plutonium Facility. Engineered barriers provide the most effective protection from radioactive and hazardous materials. The Worker Safety Security Team augments these passive safety feature by investigating incidents to identify appropriate prevention and mitigation measures. “Learning Teams” facilitate employee feedback loop and integration toward process improvement. Here, this article reports an investigation of a “Sharps” incident and reviews a case study of a technician that cuts his left thumb while making a gasket. Causal analysis of the sharps incident uncovered contributing factors that created the environment in which the incident occurred. Finally, latent organizational conditions that created error-likely situations or weakened defenses were identified and controlled. Effective improvements that reduce the probability or consequence of similar sharps incidents were implemented.

61 RADIATION PROTECTION AND DOSIMETRY↗

Fluorescent aggregate structure revealed in bisphenol F epoxy thermoset

Bisphenol F (BPF) epoxy resin is a prepolymer component of thermosets used in construction of reinforced carbon fiber composites (RCFC). The fluorescence of this resin can provide information about chemical and structural alterations of the thermoset from thermal or mechanical damage. While some work has investigated the fluorescence spectra of bisphenol A epoxy resin, a structural analog of BPF, none have studied BPF. The purpose of this study is to investigate the baseline fluorescence spectra of the BPF epoxy resin for features that could be utilized for monitoring damage and structural alterations. Bisphenol F epoxy resin was found to have two emission peaks with a broad peak centered at 410 nm and a sharp peak centered at 550 nm. The broad emission peak was identified as the fluorescence from BPF epoxy monomer while the sharp emission peak was found to be from an aggregate structure present in the epoxy resin. It is hypothesized that this structure is an H-aggregate based on the emission features and structural stability of the aggregate compared to the alternative J-aggregate which was determined via density functional theory calculations. The H-aggregate was found to persist into one of the cured thermoset formulations evaluated but was lost when exposed to elevated temperatures below thermal degradation of the thermoset. This loss of aggregate structure was due to polymer network rearrangement. This new fluorescence signature can be used as an indicator of polymer network rearrangement from thermal exposure which may alter the expected material performance and precede thermal degradation.

36 MATERIALS SCIENCE↗

Sharp, high numerical aperture (NA), nanoimprinted bare pyramid probe for optical mapping

The ability to correlate optical hyperspectral mapping and high resolution topographic imaging is critically important to gain deep insight into the structure–function relationship of nanomaterial systems. Scanning near-field optical microscopy can achieve this goal, but at the cost of significant effort in probe fabrication and experimental expertise. To overcome these two limitations, we have developed a low-cost and high-throughput nanoimprinting technique to integrate a sharp pyramid structure on the end facet of a single-mode fiber that can be scanned with a simple tuning-fork technique. The nanoimprinted pyramid has two main features: (1) a large taper angle (~70°), which determines the far-field confinement at the tip, resulting in a spatial resolution of 275 nm, an effective numerical aperture of 1.06, and (2) a sharp apex with a radius of curvature of ~20 nm, which enables high resolution topographic imaging. Optical performance is demonstrated through evanescent field distribution mapping of a plasmonic nanogroove sample, followed by hyperspectral photoluminescence mapping of nanocrystals using a fiber-in-fiber-out light coupling mode. Through comparative photoluminescence mapping on 2D monolayers, we also show a threefold improvement in spatial resolution over chemically etched fibers. These results show that the bare nanoimprinted near-field probes provide simple access to spectromicroscopy correlated with high resolution topographic mapping and have the potential to advance reproducible fiber-tip-based scanning near-field microscopy.

47 OTHER INSTRUMENTATION↗

The LHCb state $P^{Λ}_{ψs}$(4338) as a triangle singularity

We present a model for the J/ψ Λ spectrum in B – → J/ψ Λ $\bar{p}$ decays, including the $P^{Λ}_{ψs}$(4338) baryon recently observed by the LHCb collaboration. We assume production via triangle diagrams which couple to the final state via non-perturbative interactions which are constrained by heavy- quark and SU 3 -flavor symmetry. The bulk of the distribution is described by a triangle diagram with a color-favored electroweak vertex, while the sharp $P^{Λ}_{ψs}$(4338) enhancement is due to the ψs triangle singularity in another diagram featuring a 1/2 – baryon consistent with Σ c (2800). We predict a comparable $P^{Λ}_{ψs}$(4338) signal in η c Λ, and anticipate possible large isospin mixing effects ψs through decays to J/ψ Σ 0 and η c Σ 0 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

What could we learn from a sharply falling positron fraction?

Recent results from the AMS-02 data have confirmed that the cosmic-ray positron fraction increases with energy between 10 and 200 GeV. This quantity should not exceed 50%, and it is hence expected that it will either converge toward 50% or fall. We study the possibility that future data may show the positron fraction dropping down abruptly to the level expected with only secondary production, and forecast the implications of such a feature in term of possible injection mechanisms that include both dark matter and pulsars. Were a sharp steepening to be found, rather surprisingly, we conclude that pulsar models would do at least as well as dark matter scenarios in terms of accounting for any spectral cut-off.

79 ASTRONOMY AND ASTROPHYSICS↗