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At least 541 records · Page 30

The dependence of the gradients of oxygen and nitrogen-to-oxygen on stellar age in MaNGA galaxies

For this work, we derived the oxygen abundance (O/H), the nitrogen-to-oxygen (N/O) abundance ratio, and their corresponding radial gradients for a sample of 1431 galaxies from the MaNGA DR15 survey using two different realisations of the strong line method: empirical R calibration and the Bayesian model-based HII-CHI-MISTRY (HCM) code. We find that both abundance calculation methods reveal a correlation between the O/H gradient and the stellar mass of a galaxy. This relation is non-linear, with the steepest average gradients in the intermediate mass range and flatter average gradients for high- and low-mass galaxies. The relation between the N/O gradient and the stellar mass is, on average, non-linear with the steepest gradients in the intermediate mass range (log(M/M ⊙ )~10), flatter gradients for high-mass galaxies, and the flattest gradients for low-mass galaxies. However, the general trend of steepening N/O gradients for higher masses, as reported in previous studies, remains evident. We find a dependence between the O/H and N/O gradients and the galaxy mean stellar age traced by the D(4000) index. For galaxies of lower masses, both gradients are, generally, steeper for intermediate values of D(4000) and flatter for low and high values of D(4000). Only the most massive galaxies do not show this correlation. We interpret this behaviour as an evolution of the metallicity gradients with the age of stellar population. Though the galaxies with a positive slope of the D(4000) radial gradient tend to have flatter O/H and N/O gradients, as compared to those with a negative D(4000) gradient.

79 ASTRONOMY AND ASTROPHYSICS↗

Substructure in the stellar halo near the Sun: II. Characterisation of independent structures

In an accompanying paper, we present a data-driven method for clustering in ‘integrals of motion’ space and apply it to a large sample of nearby halo stars with 6D phase-space information. The algorithm identified a large number of clusters, many of which could tentatively be merged into larger groups. The goal here is to establish the reality of the clusters and groups through a combined study of their stellar populations (average age, metallicity, and chemical and dynamical properties) to gain more insights into the accretion history of the Milky Way. To this end, we developed a procedure that quantifies the similarity of clusters based on the Kolmogorov–Smirnov test using their metallicity distribution functions, and an isochrone fitting method to determine their average age, which is also used to compare the distribution of stars in the colour–absolute magnitude diagram. Also taking into consideration how the clusters are distributed in integrals of motion space allows us to group clusters into substructures and to compare substructures with one another. We find that the 67 clusters identified by our algorithm can be merged into 12 extended substructures and 8 small clusters that remain as such. The large substructures include the previously known Gaia-Enceladus, Helmi streams, Sequoia, and Thamnos 1 and 2. We identify a few over-densities that can be associated with the hot thick disc and host a small metal-poor population. Especially notable is the largest (by number of member stars) substructure in our sample which, although peaking at the metallicity characteristic of the thick disc, has a very well populated metal-poor component, and dynamics intermediate between the hot thick disc and the halo. We also identify additional debris in the region occupied by Sequoia with clearly distinct kinematics, likely remnants of three different accretion events with progenitors of similar masses. Although only a small subset of the stars in our sample have chemical abundance information, we are able to identify different trends of [Mg/Fe] versus [Fe/H] for the various substructures, confirming our dissection of the nearby halo. We find that at least 20% of the halo near the Sun is associated to substructures. When comparing their global properties, we note that those substructures on retrograde orbits are not only more metal-poor on average but are also older. We provide a table summarising the properties of the substructures, as well as a membership list that can be used for follow-up chemical abundance studies for example.

79 ASTRONOMY AND ASTROPHYSICS↗

Filling data analysis gaps in time-resolved crystallography by machine learning

There is a growing understanding of the structural dynamics of biological molecules fueled by x-ray crystallography experiments. Time-resolved serial femtosecond crystallography (TR-SFX) with x-ray Free Electron Lasers allows the measurement of ultrafast structural changes in proteins. Nevertheless, this technique comes with some limitations. One major challenge is the quality of data from TR-SFX measurements, which often faces issues like data sparsity, partial recording of Bragg reflections, timing errors, and pixel noise. To overcome these difficulties, conventionally, large volumes of data are collected and grouped into a few temporal bins. The data in each bin are then averaged and paired with the mean of their corresponding jittered timestamps. This procedure provides one structure per bin, resulting in a limited number of averaged structures for the entire time interval spanned by the experiment. Therefore, the information on ultrafast structural dynamics at high temporal resolution is lost. This has initiated research for advanced methods of analyzing experimental TR-SFX data beyond the standard binning and averaging method. To address this problem, we use a machine learning algorithm called Nonlinear Laplacian Spectral Analysis (NLSA), which has emerged as a promising technique for studying the dynamics of complex systems. In this work, we demonstrate the power of this algorithm using synthetic x-ray diffraction snapshots from a protein with significant data incompleteness, timing uncertainties, and noise. Our study confirms that NLSA is a suitable approach that effectively mitigates the effects of these artifacts in TR-SFX data and recovers accurate structural dynamics information hidden in such data.

Trujillo, Justin (ORCID:0000000285505360)↗

Drift waves enstrophy, zonal flow, and nonlinear evolution of the modulational instability

The interaction of the drift wave (DW) turbulence and zonal flow (ZF) is investigated with the modified Hasegawa–Mima equation taking into account the backreaction of ZF velocity on DW turbulence. It is shown that the y-averaged enstrophy of DW turbulence and the velocity of ZF are intrinsically related. By utilizing this feature, a nonlinear stage of DW modulational instability is considered within the framework of the wave kinetic equation. It is shown that in this approximation, the nonlinear stage of the modulational instability results in the collapsing solutions, accompanied by the “wave breaking” phenomenon. Numerical simulations based on the Hasegawa–Mima equation show that for a weak DW turbulence, Φ ̃ = ( e φ ̃ / T e ) ( L n / ρ s ) ⪝ 1 , the collapsing-like features on both ZF and y-averaged enstrophy of DW turbulence decay in time and then re-emerge again at different locations. For the case of a strong DW turbulence, Φ ̃ > 1 , where nonlinear interactions of DW harmonics dominate, stable spatial structures of ZF and y-averaged enstrophy of DW turbulence emerge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Implementation of Perdew–Zunger self-interaction correction in real space using Fermi–Löwdin orbitals

Most widely used density functional approximations suffer from self-interaction error, which can be corrected using the Perdew–Zunger (PZ) self-interaction correction (SIC). We implement the recently proposed size-extensive formulation of PZ-SIC using Fermi–Löwdin Orbitals (FLOs) in real space, which is amenable to systematic convergence and large-scale parallelization. Here, we verify the new formulation within the generalized Slater scheme by computing atomization energies and ionization potentials of selected molecules and comparing to those obtained by existing FLOSIC implementations in Gaussian based codes. The results show good agreement between the two formulations, with new real-space results somewhat closer to experiment on average for the systems considered. We also obtain the ionization potentials and atomization energies by scaling down the Slater statistical average of SIC potentials. The results show that scaling down the average SIC potential improves both atomization energies and ionization potentials, bringing them closer to experiment. Finally, we verify the present formulation by calculating the barrier heights of chemical reactions in the BH6 dataset, where significant improvements are obtained relative to Gaussian based FLOSIC results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Correlation polarimeter-interferometer in the DIII-D tokamak

A correlation polarimeter-interferometer system has been developed for the DIII-D tokamak to detect small amplitude magnetic and density fluctuations. Two collinear, frequency-offset (5–15 MHz), orthogonally polarized (right- and left-handed, circularly polarized) electromagnetic waves at 650 GHz probing the plasma are used to detect the Faraday effect. A third, linearly polarized, electromagnetic wave serves as the local-oscillator to provide a measure of the line-averaged density. Correlation polarimetric measurement is accomplished by correlating the Faraday effect measured along the same line of sight using two independent detectors, whereas simultaneous correlation interferometric measurement is realized by correlating the line-averaged density measured at two different intermediate frequencies. The noise floor of the correlation polarimeter-interferometer has been demonstrated to be more than one order of magnitude lower than that of a standard polarimeter-interferometer measurement. Line-averaged correlation polarimetric-interferometric measurements in DIII-D H-mode plasmas show broadband (up to 750 kHz) magnetic and density fluctuations with amplitudes as low as 0.03 $Gauss$/$\sqrt{kHz}$ and 4 × 10 13 m –3 /$\sqrt{kHz}$, respectively.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hybrid BaTiO 3 /SiN x /AlGaN/GaN lateral Schottky barrier diodes with low turn-on and high breakdown performance

In this Letter, we demonstrate hybrid GaN lateral Schottky barrier diodes with enhanced breakdown characteristics and a low turn-on voltage. These diodes incorporate a lateral Schottky barrier in combination with a high permittivity material beneath the field plate, enabling high average breakdown fields and a low turn-on voltage. Average electric fields up to 2.38 MV/cm were achieved for devices with an anode–cathode spacing of 4 μm, while maintaining with a turn-on voltage of 0.48 V. In contrast, SiN x /AlGaN/GaN control lateral Schottky diodes displayed an average breakdown field of ~0.7 MV/cm for devices with similar dimensions with a turn-on voltage of 0.46 V. The use of a high-permittivity dielectric can more effectively utilize the high breakdown fields in wide bandgap materials by proper management of the electric field. This demonstration provides an innovative way to integrate high-permittivity materials with GaN lateral devices for improved breakdown and resistance characteristics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of temporal variations in plasma conditions on the electric potential near self-organized dust chains

Self-organization of dust grains into stable filamentary dust structures (or “chains”) largely depends on dynamic interactions between individual charged dust grains and complex electric potential arising from the distribution of charges within a local plasma environment. Recent studies have shown that the positive column of the gas discharge plasma in the Plasmakristall-4 (PK-4) experiment at the International Space Station supports the presence of fast-moving ionization waves, which lead to variations of plasma parameters by up to an order of magnitude from the average background values. The highly variable environment resulting from ionization waves may have interesting implications for the dynamics and self-organization of dust particles, particularly concerning the formation and stability of dust chains. Here, we investigate the electric potential surrounding dust chains in the PK-4 experiment by employing a molecular dynamics model of the dust and ions with boundary conditions supplied by a particle-in-cell with Monte Carlo collision simulation of the ionization waves. The model is used to examine the effects of the plasma conditions within different regions of the ionization wave and compare the resulting dust structure to that obtained by employing the time-averaged plasma conditions. Here, the comparison between simulated dust chains and experimental data from the PK-4 experiment shows that the time-averaged plasma conditions do not accurately reproduce observed results for dust behavior, indicating that more careful treatment of plasma conditions in the presence of ionization waves is required. It is further shown that commonly used analytic forms of the electric potential do not accurately describe the electric potential near charged dust grains under these plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Temperature distribution in a laser-heated diamond anvil cell as described by finite element analysis

Finite element analysis (FEA) is a powerful tool for numerically solving partial differential equations over complex geometries and is thus useful for analyzing heat transport in laser-heated diamond anvil cell (LHDAC) experiments. Our models expand on previously published simulations by calculating the volume-averaged temperatures of both the sample and insulation/pressure media under steady-state heating to determine the thermal pressure of the hot sample. Our goal is to produce an accurate relationship between the measured surface temperature of the absorbing sample and the temperature of the transparent insulating media, which is used to determine thermal pressure but susceptible to steep temperature gradients. We find that in doing so, our FEA models of temperature within the pressure/insulation media can differ from simplified estimates of temperature gradients by more than a factor of 2. We also explore temperature-dependent and temperature-independent thermal conductivity models and find that the volume-averaged temperatures differ by up to a factor of 1.3, forcing the predicted thermal pressures determined to also differ by up to a factor of 1.5 at a temperature of 2000 K at 50 GPa for neon. Higher temperatures exacerbate this difference. We also find that unintentional asymmetric sample insertion and sample heating, which are common in LHDAC experiments, do not have a first-order effect on volume-averaged temperatures. The FEA models, available in both Python and FlexPDE, are versatile across different sample geometries, materials, and heat source laser shapes.

Farah, Frederick↗

Temporal structure of blobs in NSTX

The time dependence of the blob pulse shape and the waiting time between blobs was found using data from the gas puff imaging diagnostic in NSTX. The database used was of 103 shots from 2010 as described in a previous paper (Zweben et al., Phys. Plasmas 29, 012505 (2022).]. The blob pulse shape was well fit by an exponential rise and fall where the average rise time was τ r = 9.0 ± 2.7 μs and the average fall time was τ f = 16.6 ± 5.8 μs. The waiting times between blob pulses above a threshold of three times the mean had a broad distribution with an average of τ w = 1.2 ± 0.85 ms over the database. The blob intermittency parameter γ b = τ d /τ w , where the blob pulse duration was τ d = τ r + τ f , ranged from γ b ~1% to 5% for shots in this database and increased almost linearly with the blob fraction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computational studies of structural, energetic, and electronic properties of pure Pt and Mo and mixed Pt/Mo clusters: Comparative analysis of characteristics and trends

The added technological potential of bimetallic clusters and nanoparticles, as compared to their pure (i.e., one-component) counterparts, stems from the ability to further fine-tune their properties and, consequently, functionalities through a simultaneous use of the “knobs” of size and composition. The practical realization of this potential can be greatly advanced by the knowledge of the correlations and relationships between the various characteristics of bimetallic nanosystems on the one hand and those of their pure counterparts as well as pure constituent components on the other hand. Here, in this study, we present results of a density functional theory based study of pure Pt n and Mo n clusters aimed at revisiting and exploring further their structural, electronic, and energetic properties. These are then used as a basis for analysis and characterization of the results of calculations on two-component Pt n-m Mo m clusters. The analysis also includes establishing relationships between the properties of the Pt n-m Mo m clusters and those of their Pt n-m and Mo m components. One of the particularly intriguing findings suggested by the calculated data is a linear dependence of the average binding energy per atom in sets of Pt n-m Mo m clusters that have the same fixed number m of Mo atoms and different number n-m of Pt atoms on the fractional content (n-m)/n of Pt atoms. We derive an analytical model that establishes the fundamental basis for this linearity and expresses its parameters—the m-dependent slope and intercept—in terms of characteristic properties of the constituent components, such as the average binding energy per atom of Mo m and the average per-atom adsorption energy of the Pt atoms on Mo m . The conditions of validity and degree of robustness of this model and of the linear relationship predicted by it are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relative permeability as a stationary process: Energy fluctuations in immiscible displacement

Relative permeability is commonly used to model immiscible fluid flow through porous materials. In this work, we derive the relative permeability relationship from conservation of energy, assuming that the system to be non-ergodic at large length scales and relying on averaging in both space and time to homogenize the behavior. Explicit criteria are obtained to define stationary conditions: (1) there can be no net change for extensive measures of the system state over the time averaging interval; (2) the net energy inputs into the system are zero, meaning that the net rate of work done on the system must balance with the heat removed; and (3) there is no net work performed due to the contribution of internal energy fluctuations. Results are then evaluated based on direct numerical simulation. Dynamic connectivity is observed during steady-state flow, which is quantitatively assessed based the Euler characteristic. We show that even during steady-state flow at low capillary number ([Formula: see text]), typical flow processes will explore multiple connectivity states. The residence time for each connectivity state is captured based on the time-and-space average. The distribution for energy fluctuations is shown to be multi-modal and non-Gaussian when terms are considered independently. However, we demonstrate that their sum is zero. Given an appropriate choice of the thermodynamic driving force, we show that the conventional relative permeability relationship is sufficient to model the energy dissipation in systems with complex pore-scale dynamics that routinely alter the structure of fluid connected pathways.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Large eddy simulation of atmospheric boundary layer flow over complex terrain in comparison with RANS simulation and on-site measurements under neutral stability condition

Large eddy simulation (LES) of the atmospheric boundary layer (ABL) flow over complex terrain is presented with a validation using meteorological tower (met-tower) data through an improved neutral stability sampling approach. The proposed stability sampling procedure includes a condition based on the most-likely occurrence time-periods of the neutral ABL and reduces the variabilities of the conditional wind statistics calculated at the met-towers in comparison to our previous work. The ABL flow simulations are carried out over a potential wind site with a prominent hill based using the OpenFOAM-based simulator for on/off-shore wind farm applications by applying the Lagrangian-averaged scale-invariant dynamic sub-grid scale turbulence model. A low-dissipative scale-selective discretization scheme for the non-linear convection term in the LES governing equation is adopted implicitly to ensure both the second-order accuracy and bounded solution. The LES inflow is generated through a precursor method with a “tiling” approach based on the flow driving parameters obtained from a corresponding Reynolds-averaged Navier–Stokes (RANS) simulation. Overall, the averaged wind velocity profiles predicted by the LES approach at all met-tower locations show a similar tendency as the RANS results, which are also in reasonable agreement with the met-tower data. An obvious difference in wind speed standard deviation profiles is seen between LES and RANS, especially at regions downstream of the hill edge, where the LES shows under-predicted results at the highest measurement levels in comparison to the tower data. The computational costs of the LES are found to be about 20 times higher than the RANS simulations.

Energy & Fuels↗

A DFT-based kinetic Monte Carlo simulation of multiphase oxide-metal thin film growth

Functional thin films of nanoscale metal pillars in oxide or nitride matrices known as vertically aligned nanocomposite (VAN) have gained much interest owing to their unique strain-coupled and highly anisotropic properties. So far, the deposition of these films has been explored mostly experimentally. In this work, a density functional theory (DFT)-based kinetic Monte Carlo simulation model using Bortz–Kalos–Lebowitz algorithm was developed to understand the growth of VAN films deposited by pulsed laser technique on mismatching substrates. The model has been parameterized and applied to understand the kinetics of growth thin films consisting of Au pillars in CeO2 matrix deposited on SrTiO3 substrates. The effects of pulsed laser deposition (PLD) conditions including the pulse frequency, deposition flux, and substrate temperature were explored. The simulations indicate that the Au pillar size and shape exhibit significant dependence on the PLD conditions. Namely, increasing the temperature increases the average pillar size and lowers the pillar density, and vice versa. In addition, the simulations revealed that increasing the deposition rate results in lowering the average pillar size and increasing the density. Particularly, the DFT results suggest that Au pillar size can be tuned during the initial growth of the first monolayer due to the significantly low activation barrier. Our analysis showed that the relationship between the average pillar size and pillar density is influenced by the kinetics. Furthermore, autocorrelation analysis showed that pillars self-organize in quasi-ordered patterns at certain windows of the deposition conditions, which is attributed to the complex nature of the chemical interactions in the system, the kinetics, and the deposition parameters.

Physics↗

Effects of zero and reversed magnetic shear on resistive wall modes in a straight limiter tokamak with zero beta

Advanced tokamak scenarios often feature equilibriums with zero and reversed magnetic shear. To isolate and investigate their impacts on the resistive wall mode (RWM) instability analytically, we construct a series of cylindrical limiter equilibriums with different magnetic shear in the core and toward plasma edge, as a prototype of the configurations in advanced tokamak scenarios. Equilibriums with zero β are considered so that the analysis focuses on the current-driven RWMs. Analytical solutions for the n=1 resistive wall mode, derived from the reduced ideal magnetohydrodynamics (MHD) equations, consistently demonstrate key insights for both the core and the edge: the growth rate of RWMs is inversely proportional to the averaged magnetic shear when the safety factor at the edge (qa) is held constant. Specifically, an increase in positive averaged magnetic shear results in a decreased growth rate, whereas an increase in negative averaged magnetic shear leads to an increased growth rate. Furthermore, the influence of nqa on the mode's stability significantly surpasses the effects of magnetic shear changes previously discussed. These analytical calculation results provide a verification of NIMROD simulations.

Wan, Sui (ORCID:0009000464121677)↗

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics↗

Realistic operation of two residential cordwood-fired outdoor hydronic heater appliances—Part 1: Particulate and gaseous emissions

This study investigated how heat demand and fuel loading affect the emissions from outdoor wood-fired hydronic heaters by testing two such appliances using an integrated-duty cycle test method. This test included transient operating conditions, such as cold and hot-starts and modulation between 15 and 100% of maximum rated output. Emission values indicate transient operating conditions produce higher emissions than steady state operation. Cold starts resulted in elevated particulate matter emission factors for both appliances; in one case the particulate matter emission factor for this period was >3500 mg/MJ, which represented emissions 20 times the average value. Additionally, when heat demand was cycled—elevated CO emission factors were measured, with values >5000 mg/MJ for both appliances and more than 3 times the appliance averages, respectively. It follows that the appliance average particulate matter emission factors and CO emission factors were not representative of the actual EF values during these transient periods. In contrast, methane emission factors were relatively stable throughout all tested combustion conditions; however, they were much higher than oil-fired appliances are therefore should not be ignored. These findings demonstrate that wood-fired hydronic heater emissions during transient operating conditions can be significantly greater than emissions during steady-state test conditions, such as those used in typical certification tests. Consequently, certification test values for particulate matter and CO emission factors may significantly underestimate the actual emissions of these appliances when operated in a home. Use of integrated duty-cycle test protocols that capture cold-starts and reloading are better for representing in-use operations of wood-fired hydronic heaters and provide more realistic emissions and delivered efficiency measurements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The strong coupling constant: state of the art and the decade ahead

Theoretical predictions for particle production cross sections and decays at colliders rely heavily on perturbative Quantum Chromodynamics (QCD) calculations, expressed as an expansion in powers of the strong coupling constant α$_{S}$. The current O(1%)uncertainty of the QCD coupling evaluated at the reference Z boson mass, αS(mZ2)=0.1179±0.0009, is one of the limiting factors to more precisely describe multiple processes at current and future colliders. A reduction of this uncertainty is thus a prerequisite to perform precision tests of the Standard Model as well as searches for new physics. This report provides a comprehensive summary of the state-of-the-art, challenges, and prospects in the experimental and theoretical study of the strong coupling. The current αS(mZ2)world average is derived from a combination of seven categories of observables: (i) lattice QCD, (ii) hadronic τ decays, (iii) deep-inelastic scattering and parton distribution functions fits, (iv) electroweak boson decays, hadronic final-states in (v) e$^{+}$e$^{−}$, (vi) e–p, and (vii) p–p collisions, and (viii) quarkonia decays and masses. We review the current status of each of these seven αS(mZ2)extraction methods, discuss novel α$_{S}$ determinations, and examine the averaging method used to obtain the world-average value. Each of the methods discussed provides a ‘wish list’ of experimental and theoretical developments required in order to achieve the goal of a per-mille precision on αS(mZ2)within the next decade.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗