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At least 361 records · Page 20

Blue lobes in the Hydra A cluster central galaxy

We present new U- and I-band images of the centrally dominant galaxy in the Hydra A cluster, obtained with the 2.5 m Isaac Newton Telescope at La Palma. The galaxy is centered in a poor, X-ray-luminous cluster whose gaseous intracluster medium is apparently cooling at a rate of m-dot(sub CF) approximately 3000 solar masses/yr. The galaxy's structure is that of a normal giant elliptical galaxy, apart from the central approximately 8 x 6 arcsec (approximately 12 x 9 kpc) region which contains an unusually blue, lobelike structure that is spatially coincident with a luminous emission-line nebula in rotation about the nucleus. Based on near spatial coincidence of the central continuum structure and the emission-line nebula, we suggest that the blue continuum is due to a warm stellar population in a central disk. In order to isolate and study the structure of the disk, we have subtracted a smooth galactic background model from the U-band image. The disk's surface brightness profiles along its major and minor axes decline roughly exponentially with radius. The disk's axial ratio is consistent with a nearly edge-on thick disk or a thin disk that is inclined with respect to the line of sight. The bluest regions, located a few arcsec on either side of the nucleus (giving the lobelike appearance), may be due to locally enhanced star formation or a seeing-blurred ring of young stars embedded in the disk observed nearly edge-on. If star-formation is occurring with the local initial mass function, the central color, surface brightness, and dynamical mass would be consistent with models for star formation at a rate of less than and approximately 1 solar masses/yr which has persisted for the past approximately 10(exp 9) yr, a short burst (10(exp 7) yr) of star formation at a rate of approximately 30 solar masses/yr which occurred less than and approximately 10(exp 8) yr ago, or an instantaneous burst of star formation which occurred approximately 5 x 10(exp 7) yr ago. While the young population contributes approximately 30%-40% of the central U-band luminosity, its mass would be less than and approximately 1% to less than and approximately 10% (10(exp 8) solar masses - 2 x 10(exp 9) solar masses of the galaxy's central dynamical mass. We consider a number of possible origins for the disk material.

Mcnamara, Brian R.↗

Many-Exciton Quantum Dynamics in a Ruddlesden–Popper Tin Iodide

We present a study on the many-body exciton interactions in a Ruddlesden–Popper tin halide, namely, (PEA) 2 SnI 4 (PEA = phenylethylammonium), using coherent two-dimensional electronic spectroscopy. The optical dephasing times of the third-order polarization observed in these systems are determined by exciton many-body interactions and lattice fluctuations. We investigate the excitation-induced dephasing (EID) and observe a significant reduction of the dephasing time with increasing excitation density as compared to its lead counterpart (PEA) 2 PbI 4 , which we have previously reported in a separate publication [J. Chem. Phys. 2020, 153, 164706]. Surprisingly, we find that the EID interaction parameter is four orders of magnitude higher in (PEA) 2 SnI 4 than that in (PEA) 2 PbI 4 . This increase in the EID rate may be due to exciton localization arising from a more statically disordered lattice in the tin derivative. This is supported by the observation of multiple closely spaced exciton states and the broadening of the linewidth with increasing population time (spectral diffusion), which suggests a static disordered structure relative to the highly dynamic lead-halide. Additionally, we find that the exciton nonlinear coherent lineshape shows evidence of a biexcitonic state with low binding energy (<10 meV) not observed in the lead system. We model the lineshapes based on a stochastic scattering theory that accounts for the interaction with a nonstationary population of dark background excitations. Our study provides evidence of differences in the exciton quantum dynamics between tin- and lead-based Ruddlesden–Popper metal halides (RPMHs) and links them to the exciton–exciton interaction strength and the static disorder aspect of the crystalline structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the excitation of cyclotron harmonic waves by newborn heavy ions

Wave measurements in planetary foreshocks and cometary environments show the sporadic occurrence of magnetic spectra with harmonic structure related to ion-cyclotron frequencies. Dilute populations of anisotropic and/or drifting charged particles can excite obliquely propagating modes with spacecraft frequencies close to the observed harmonics. Previous analyses of this generation mechanism are extended to drifting and nondrifting loss-cone-type distributions of heavy ions in a dense hydrogen magnetoplasma, characterizing the complex (real frequency and growth rate) dispersion, polarization, and compressibility of the unstable cyclotron harmonic waves. Solution of the full kinetic dispersion equation shows that it is possible to attain harmonic excitation, both in the drifting and nondrifting regimes. However, the bandwidth inherent to frequency Doppler shifts of obliquely propagating waves might preclude the observation of spectral structure in the spacecraft frame. The Giotto observations in the upstream region of comet Halley provide a reference to discuss the results.

Brinca, Armando L.↗

Real-time tracking of protein unfolding with time-resolved x-ray solution scattering

The correct folding of proteins is of paramount importance for their function, and protein misfolding is believed to be the primary cause of a wide range of diseases. Protein folding has been investigated with time-averaged methods and time-resolved spectroscopy, but observing the structural dynamics of the unfolding process in real-time is challenging. Here, we demonstrate an approach to directly reveal the structural changes in the unfolding reaction. We use nano- to millisecond time-resolved x-ray solution scattering to probe the unfolding of apomyoglobin. The unfolding reaction was triggered using a temperature jump, which was induced by a nanosecond laser pulse. We demonstrate a new strategy to interpret time-resolved x-ray solution scattering data, which evaluates ensembles of structures obtained from molecular dynamics simulations. We find that apomyoglobin passes three states when unfolding, which we characterize as native, molten globule, and unfolded. The molten globule dominates the population under the conditions investigated herein, whereas native and unfolded structures primarily contribute before the laser jump and 30 μs after it, respectively. The molten globule retains much of the native structure but shows a dynamic pattern of inter-residue contacts. Our study demonstrates a new strategy to directly observe structural changes over the cause of the unfolding reaction, providing time- and spatially resolved atomic details of the folding mechanism of globular proteins.

59 BASIC BIOLOGICAL SCIENCES↗

The Enigmatic Longevity of Granular Materials on Mars: The Case for Geologically Episodic Dune Formation

Martian sand dunes are concentrated in vast sand seas in the circumpolar belt of the planet's northern hemisphere, but they are also pervasive over the whole planet. Their occurrence is to be expected on a super-arid planetary surface subjected to boundary layer drag from a continually active atmosphere. Whilst their occurrence is to be expected, their survival is enigmatic. But the enigma only arises if the martian system is considered similar to Earth's --where sand is moved highly frequently, more or less on a seasonal basis. Experimentally it is readily demonstrated that active sand will soon wear down to small grains and eventually diminish to below the critical sand size required to sustain dune formation. According to conventional wisdom, sand moves at higher speeds on Mars than on Earth, and if it were to move as frequently as it does on Earth, then the dune-forming sand population should have long since disappeared, given the great longevity of the martian aeolian system (Sagan coined the term "kamikaze" grains to express this disappearance). No supply of sand could keep pace with this depletion, especially in light of the fact that Mars does not have very active weathering, nor significant crustal differentiation. On Earth, plate tectonics, magmatic activity, and general crustal differentiation over geological time have produced great concentrations of quartz crystals in the continental crustal masses. Not only are these quartz grains chemically and mechanically resilient, they are about the right size for being transported by either wind or water. Add to this, the geologically recent contribution of glacial grinding, and it is easy to see why there are dune field on Earth. So what are the martian dunes composed of, and how does the material survive the eons of attrition? In addition to experimental demonstrations of sand comminution in laboratory aeolian simulations, the problem can be approached from first principles. Sagan showed that by simple considerations of material strength versus mechanical work applied to the material, comminution to sub-sand size would be inevitable. Another semi-analytical approach might be taken by considering that the archetypal aeolian sand surface texture is an irregularly pitted ("frosted") surface composed of chipping hollows approximately 10 microns in diameter, 5 microns deep. Their volume = about 250 cubic microns, or about 1/25000 of the volume of a 100 micron diameter dune grain. Because a saltating grain always strikes another grain, then two surfaces are impacted. Thus each grain undergoes two impacts for every one saltation leap, when the impact statistics are considered for a closed dune system (it can be calculated that a grain can never undergo <1 impact, and never >2 per saltation leap). Hence, if we conservatively assume that there is damage to a grain each time it bounces, but with the minimum damage of only 2 microscopic craters per impact, then approximately 12,500 impacts are required to completely eliminate the grain. Of course, it would require only a fraction of this amount to reduce the grain to below sand size. A grain will make only several tens of saltation leaps on the stoss side of a dune before becoming buried on the lee slope. The dune then has to move its full length before the grain is exhumed again for abrasion. Even with this hiatus in transport, it is easy to see that terrestrial dunes need resupplying with sand in order to survive. In recent theoretical work it has been shown that martian aeolian transport may be initiated with high-speed grains, but this converts to a lower energy dynamic transport equilibrium in which a reptation population dominates grain transport (on Earth, at least half of the flux is by reptation and creep). On Mars, therefore, average grain speeds may be lower than those on Earth, or at least comparable. This would permit greater longevity for martian sands, but it would not go far enough to solve the survival problem. It may, however, explain why martian dunes are about the same size as terrestrial dunes. If martian saltation leaps were significantly longer than on Earth (as usually assumed), then a dune's lee slope would have to be correspondingly longer in order to trap the sand; this would scale up the whole dune structure. But with shorter trajectories in a reptation population, larger dunes would be unnecessary. Additional information is contained in the original.

Marshall, J.↗

Violation of the Vogt-Russell theorem for homogeneous nondegenerate stars

A systematic study is made of the number and types of solutions of the equilibrium equations of stellar structure, in the case of homogeneous stars of Population I over the mass range 2-1000 solar masses, with four different opacity representations. A variant of the usual fitting method permits the simultaneous investigation of convergence and tendency toward multiplicity of the solutions. Quadratic interpolation and extrapolation of Carson's new opacity tables produces a very large opacity at low temperatures that greatly affects the loose outer layers of massive stars, while leaving the cores practically unaffected. As a result, over a small mass range, well above 100 solar masses, triple solutions exist, always near an effective temperature of log Te = 4.73. A simple classification of the known exceptions to the Vogt-Russell theorem on the uniqueness of stellar structure is given.

Stothers, R.↗

Genetic underpinnings of arthropod community distributions in Populus trichocarpa

Community genetics seeks to understand the mechanisms by which natural genetic variation in heritable host phenotypes can encompass assemblages of organisms such as bacteria, fungi, and many animals including arthropods. Prior studies that focused on plant genotypes have been unable to identify genes controlling community composition, a necessary step to predict ecosystem structure and function as underlying genes shift within plant populations. Here, we surveyed arthropods within an association population of Populus trichocarpa in three common gardens to discover plant genes that contributed to arthropod community composition. We analyzed our surveys with traditional single-trait genome-wide association analysis (GWAS), multitrait GWAS, and functional networks built from a diverse set of plant phenotypes. Plant genotype was influential in structuring arthropod community composition among several garden sites. Candidate genes important for higher level organization of arthropod communities had broadly applicable functions, such as terpenoid biosynthesis and production of dsRNA binding proteins and protein kinases, which may be capable of targeting multiple arthropod species. We have demonstrated the ability to detect, in an uncontrolled environment, individual genes that are associated with the community assemblage of arthropods on a host plant, further enhancing our understanding of genetic mechanisms that impact ecosystem structure.

Community genetics↗

Designed Spin‐Texture‐Lattice to Control Anisotropic Magnon Transport in Antiferromagnets

Abstract Spin waves in magnetic materials are promising information carriers for future computing technologies due to their ultra‐low energy dissipation and long coherence length. Antiferromagnets are strong candidate materials due, in part, to their stability to external fields and larger group velocities. Multiferroic antiferromagnets, such as BiFeO 3 (BFO), have an additional degree of freedom stemming from magnetoelectric coupling, allowing for control of the magnetic structure, and thus spin waves, with the electric field. Unfortunately, spin‐wave propagation in BFO is not well understood due to the complexity of the magnetic structure. In this work, long‐range spin transport is explored within an epitaxially engineered, electrically tunable, 1D magnonic crystal. A striking anisotropy is discovered in the spin transport parallel and perpendicular to the 1D crystal axis. Multiscale theory and simulation suggest that this preferential magnon conduction emerges from a combination of a population imbalance in its dispersion, as well as anisotropic structural scattering. This work provides a pathway to electrically reconfigurable magnonic crystals in antiferromagnets.

36 MATERIALS SCIENCE↗

Nutrient Restoration of a Large, Impounded, Ultra-Oligotrophic Western River to Recover Declining Native Fishes

Abstract Declines in many fish populations in large, western rivers have been primarily attributed to the anthropogenic reduction of nutrient inputs and subsequent impacts to the food web. The largest known river fertilization program was implemented starting in 2005 on the Kootenai River in northern Idaho to restore resident fisheries. Annual electrofishing surveys were conducted at multiple sites in Idaho and Montana before and during nutrient addition to evaluate assemblage and population-level responses. Although few responses in fish assemblage structure were observed, the addition of liquid ammonium polyphosphate fertilizer (3 μg/L) to the Kootenai River increased fish abundance and biomass over the 20-km stretch of river downstream of the treatment site. Increases were most notable in Largescale Suckers Catostomus macrocheilus, Mountain Whitefish Prosopium williamsoni, and Rainbow Trout Oncorhynchus mykiss populations, although increases in catch and biomass were detected for nearly all fish species. The Kootenai River is approximately 30 times larger in discharge than other rivers that have been experimentally fertilized and provides compelling evidence that the mitigation of nutrient declines in rivers of similar size can result in positive influences on the fish populations where primary and secondary production are limiting growth, survival, and recruitment. However, results from our study also highlight the importance of completing evaluations across varying levels of biological organization (e.g., assemblage and population) and over biologically relevant timeframes.

Hardy, Ryan S.↗

The application of remote sensing techniques to inter and intra urban analysis

This is an effort to assess the applicability of air and spaceborne photography toward providing data inputs to urban and regional planning, management, and research. Through evaluation of remote sensing inputs to urban change detection systems, analyzing an effort to replicate an existing urban land use data file using remotely sensed data, estimating population and dwelling units from imagery, and by identifying and evaluating a system of urban places ultilizing space photography, it was determined that remote sensing can provide data concerning land use, changes in commercial structure, data for transportation planning, housing quality, residential dynamics, and population density.

Horton, F. E.↗

Non-equilibrium states and interactions in the topological insulator and topological crystalline insulator phases of NaCd4As3

Topological materials are of great interest because they can support metallic edge or surface states that are robust against perturbations, with the potential for technological applications. Here, we experimentally explore the light-induced non-equilibrium properties of two distinct topological phases in NaCd4As3: a topological crystalline insulator (TCI) phase and a topological insulator (TI) phase. This material has surface states that are protected by mirror symmetry in the TCI phase at room temperature, while it undergoes a structural phase transition to a TI phase below 200 K. After exciting the TI phase by an ultrafast laser pulse, we observe a leading band edge shift of >150 meV that slowly builds up and reaches a maximum after ∼0.6 ps and that persists for ∼8 ps. The slow rise time of the excited electron population and electron temperature suggests that the electronic and structural orders are strongly coupled in this TI phase. It also suggests that the directly excited electronic states and the probed electronic states are weakly coupled. Both couplings are likely due to a partial relaxation of the lattice distortion, which is known to be associated with the TI phase. In contrast, no distinct excited state is observed in the TCI phase immediately or after photoexcitation, which we attribute to the low density of states and phase space available near the Fermi level. Our results show how ultrafast laser excitation can reveal the distinct excited states and interactions in phase-rich topological materials.

Angle-resolved photoemission spectroscopy↗

Electron Drift Resonance in the MHD-Coupled Comprehensive Inner Magnetosphere-Ionosphere Model

Relativistic electrons in the outer radiation belt are highly dynamic and respond to interplanetary solar wind structures interacting with the Earth's magnetic field. A known mechanism dictating electron dynamics is the drift-resonant interaction with ultralow frequency (ULF) waves. The present work simulates the ring current and radiation belt electron populations in the bounce-averaged, kinetic Comprehensive Inner Magnetosphere-Ionosphere model coupled with the Block Adaptive Tree Solar Wind Roe-type Upwind Scheme global magnetospheric magnetohydrodynamic (MHD) code using an idealized ULF wave solar wind density driver. ULF waves generated with 10 min periods (at 1.67 mHz frequencies) in the MHD model are characterized and the corresponding energization of electrons and radial transport of electron phase space density is presented. The drift-resonant electron energy is determined in the simulation and is consistent with the electron resonance conditions in dipolar magnetic fields. The present results will be an important component of understanding inner magnetospheric dynamics and how these inner magnetospheric populations interact with ULF waves resulting from interplanetary solar wind structures.

Komar, C. M.↗

Enhanced thermoelectric performance of SnSe by controlled vacancy population

Abstract The thermoelectric performance of SnSe strongly depends on its low-energy electron band structure that provides high density of states in a narrow energy window due to the multi-valley valence band maximum (VBM). Angle-resolved photoemission spectroscopy measurements, in conjunction with first-principles calculations, reveal that the binding energy of the VBM of SnSe is tuned by the population of Sn vacancy, which is determined by the cooling rate during the sample growth. The VBM shift follows precisely the behavior of the thermoelectric power factor, while the effective mass is barely modified upon changing the population of Sn vacancies. These findings indicate that the low-energy electron band structure is closely correlated with the high thermoelectric performance of hole-doped SnSe, providing a viable route toward engineering the intrinsic defect-induced thermoelectric performance via the sample growth condition without an additional ex-situ process. Graphical Abstract

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Global overview and major challenges of host prediction methods for uncultivated phages

Bacterial communities play critical roles across all of Earth’s biomes, affecting human health and global ecosystem functioning. They do so under strong constraints exerted by viruses, i.e., bacteriophages or “phages”. Phages can reshape bacterial communities’ structure, influence long-term evolution of bacterial populations, and alter host cell metabolism during infection. Metagenomics approaches, i.e., shotgun sequencing of environmental DNA or RNA, recently enabled large-scale exploration of phage genomic diversity, yielding several millions of phage genomes now to be further analyzed and characterized. One major challenge however is the lack of direct host information for these phages. Several methods and tools have been proposed to bioinformatically predict the potential host(s) of uncultivated phages based only on genome sequence information. Here we review these different approaches and highlight their distinct strengths and limitations. We also outline complementary experimental assays which are being proposed to validate and refine these bioinformatic predictions.

59 BASIC BIOLOGICAL SCIENCES↗

Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations

Linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) or transition-state scaling (TSS) relations aid with the prediction of electronic energies. However, temperature effects and pre-exponentials are often taken as constants across metal surfaces or a homologous series. Vibrational scaling relationships (VSRs) offer a way to determine such parameters. Transition-state VSRs (TSVSRs) between local minima and transition states of AH X (A = C, N, O) surface diffusions correlate with BEP relations and broaden to thermochemical property scaling. Using density functional theory, we extend TSVSRs to AHX dehydrogenation reactions on transition-metal surfaces, relating vibrational modes of local minima to transition states. We first predict the slopes of the TSS relations by incorporating bond angles using the Slater–Koster structure factors and hybridization through crystal orbital overlap population analysis and energy overlap integrals between adsorbates and metal surfaces. Additionally, we uncover universal thermochemical property scaling, enabling the estimation of entropies and temperature corrections to enthalpies across a homologous series. Here, we demonstrate both significant vibrational corrections in reactions with low intrinsic electronic barriers and considerable variation in the pre-exponential of a simple dehydrogenation reaction across metals and AH X adsorbates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning

Probe molecule vibrational spectra have a long history of being used to characterize materials including metals, oxides, metal-organic frameworks, and even human proteins. Furthermore, recent advances in machine learning have enabled computationally generated spectra to aid in detailed characterization of complex surfaces with probe molecules. Despite widespread use of probe molecules, the science of probe molecule selection is underdeveloped. Here, we develop physical concepts, including orbital interaction energy and the energy overlap integral, to explain and predict the ability of probe molecules to discriminate structural descriptors. We resolve the crystal orbital overlap population (COOP) to specific molecular orbitals and quantify their bonding character, which directly influences vibrational frequencies. Using only a single adsorbate calculation from density function theory (DFT), we compute the interaction energy of individual adsorbate molecular orbitals with adsorption site atomic orbitals across many different sites. Combining the molecular orbital resolved COOP and changes in orbital interaction energy enables probe molecule selection for improved discrimination of various sites. We demonstrate these concepts by comparing the predicted effectiveness of carbon monoxide (CO), nitric oxide (NO), and ethylene (C 2 H 4 ) to probe Pt adsorption sites. Finally, using a previously developed machine learning framework, we show that models trained on hundreds of thousand C 2 H 4 spectra, computed from DFT, which regress surface binding-type and generalized coordination number (GCN), outperform those trained using CO and NO spectra. Lastly, a python package, pDOS_overlap, for implementing the electron density based analysis on any combination of adsorbates and materials, is also made available.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Ultrafast Carrier Self-Trapping Driven by Strong Exciton–Phonon Coupling in 2D MA 3 Bi 2 I 6 Cl 3 Perovskite

Two-dimensional (2D) hybrid bismuth halide perovskites have emerged as promising lead-free materials for optoelectronic applications due to their solution processability and tunable structures. Here, in this study, we investigate 2D layered hybrid perovskite MA 3 Bi 2 I 6 Cl 3 using temperature-dependent photoluminescence (PL) and femtosecond transient absorption spectroscopy. Our results reveal strong coupling between excitons and phonons, evidenced by giant Huang–Rhys factors, coherent phonon oscillations, and ultrafast carrier self-trapping into small-polaron and self-trapped exciton (STE) states. These processes appear as time-dependent ground-state bleach and photoinduced absorption features, highlighting the influence of the lattice in carrier dynamics. Wavelength- and time-resolved measurements reveal that PL emission is dominated by STEs, while free exciton emission is weak and short-lived. By comparing 2D MA 3 Bi 2 I 6 Cl 3 with 0D MA 3 Bi 2 I 9 , which contains molecularly isolated [BiI 6 ] 3− octahedra and 2D MA 3 Bi 2 Br 9 perovskites, we demonstrate how halide composition and structural dimensionality influence the balance between free exciton populations and carrier localization. These insights uncover the intrinsic kinetic landscape of photoexcited states in MA 3 Bi 2 I 6 Cl 3 . Overall, our study contributes to a mechanistic understanding of exciton–phonon interactions in lead-free 2D perovskites.

Pradeep, Kodimana Ramakrishnan [Northwestern Univ.↗

Increasing freshwater supply to sustainably address global water security at scale

While significant parts of the globe are already facing significant freshwater scarcity, the need for more freshwater is projected to increase in order to sustain the increasing global population and economic growth, and adapt to climate change. Current approaches for addressing this challenge, which has the potential to result in catastrophic outcomes for consumptive needs and economic growth, rely on increasing the efficient use of existing resources. However, the availability of freshwater resources is rapidly declining due to over-exploitation and climate change and, therefore, is unlikely to sustainably address future needs, which requires a rethink of our solutions and associated investments. Here we present a bold departure from existing approaches by establishing the viability of significantly increasing freshwater through the capture of humid air over oceans. We show that the atmosphere above the oceans proximal to the land can yield substantial freshwater, sufficient to support large population centers across the globe, using appropriately engineered structures. Due to the practically limitless supply of water vapor from the oceans, this approach is sustainable under climate change and can transform our ability to address present and future water security concerns. This approach is envisioned to be transformative in establishing a mechanism for sustainably providing freshwater security to the present and future generations that is economically viable.

54 ENVIRONMENTAL SCIENCES↗