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At least 1,243 records · Page 69

A priori analysis on deep learning of subgrid-scale parameterizations for Kraichnan turbulence

In the present study, we investigate different data-driven parameterizations for large eddy simulation of two-dimensional turbulence in the a priori settings. These models utilize resolved flow field variables on the coarser grid to estimate the subgrid-scale stresses. We use data-driven closure models based on localized learning that employs a multilayer feedforward artificial neural network with point-to-point mapping and neighboring stencil data mapping, and convolutional neural network fed by data snapshots of the whole domain. The performance of these data-driven closure models is measured through a probability density function and is compared with the dynamic Smagorinksy model (DSM). The quantitative performance is evaluated using the cross-correlation coefficient between the true and predicted stresses. We analyze different frameworks in terms of the amount of training data, selection of input and output features, their characteristics in modeling with accuracy, and training and deployment computational time. We also demonstrate computational gain that can be achieved using the intelligent eddy viscosity model that learns eddy viscosity computed by the DSM instead of subgrid-scale stresses. Here, we detail the hyperparameters optimization of these models using the grid search algorithm.

42 ENGINEERING↗

Thermal transport properties of IrSbSe

Here we report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the P2 1 3 space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for conductivity [E ρ = 128(2) meV] and for thermopower [E S = 17.7 (9) meV] from 200 to 300 K indicates a polaronic transport mechanism. The electrical resistivity varies as exp (T 0 /T) 1/4 and thermopower varies as T 1/2 at low temperatures, indicating that it evolves into Mott variable-range hopping dominant conduction with decreasing temperature. IrSbSe shows a relatively low value of thermal conductivity (~1.65 W/Km) and thermopower of about 0.24 mV/K around 100 K, yet poor electrical conductivity. On the other hand, a high vacancy defect concentration on both Ir and Sb atomic sites of up to 15% suggests a high defect tolerance and points to the possibility of a future improvement of carrier density by chemical substitution or defect optimization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

X-ray spectral and temporal analysis of narrow line Seyfert 1 galaxy Was 61

We present an analysis of spectrum and variability of the bright reddened narrow line Seyfert 1 galaxy Was 61 using 90 ks archival XMM-Newton data. The X-ray spectrum in 0.2–10 keV can be characterized by an absorbed power-law plus soft excess and an Fe Kα emission line. The power-law spectral index remains constant during the flux variation. The absorbing material is mildly ionized, with a column density of 3.2 × 10{sup 21} cm{sup −2}, and does not appear to vary during the period of the X-ray observation. If the same material causes the optical reddening (E(B–V) ≃ 0.6 mag), it must be located outside the narrow line region with a dust-to-gas ratio similar to the average Galactic value. We detect significant variations of the Fe Kα line during the observational period. A broad Fe Kα line at ≃6.7 keV with a width of ∼0.6 keV is detected in the low flux segment of the first 40 ks exposure, and is absent in the spectra of other segments; a narrow Fe Kα emission line ∼6.4 keV with a width of ∼0.1 keV is observed in the subsequent 20 ks segment, which has a count rate 35% higher and is in the next day. We believe this is due to the change in geometry and kinematics of the X-ray emitting corona. The temperature and flux of soft X-ray excess appear to correlate with the flux of the hard power-law component. Comptonization of disc photons by a warm and optically thick inner disk is preferred to interpret the soft excess, rather than the ionized reflection.

79 ASTRONOMY AND ASTROPHYSICS↗

Suppressed Far-UV Stellar Activity and Low Planetary Mass Loss in the WASP-18 System

WASP-18 hosts a massive, very close-in Jupiter-like planet. Despite its young age (<1 Gyr), the star presents an anomalously low stellar activity level: the measured logR{sub HK}{sup ′} activity parameter lies slightly below the basal level; there is no significant time-variability in the logR{sub HK}{sup ′} value; there is no detection of the star in the X-rays. We present results of far-UV observations of WASP-18 obtained with COS on board of Hubble Space Telescope aimed at explaining this anomaly. From the star’s spectral energy distribution, we infer the extinction (E(B−V) ≈ 0.01 mag) and then the interstellar medium (ISM) column density for a number of ions, concluding that ISM absorption is not the origin of the anomaly. We measure the flux of the four stellar emission features detected in the COS spectrum (C ii, C iii, C iv, Si iv). Comparing the C ii/C iv flux ratio measured for WASP-18 with that derived from spectra of nearby stars with known age, we see that the far-UV spectrum of WASP-18 resembles that of old (>5 Gyr), inactive stars, in stark contrast with its young age. We conclude that WASP-18 has an intrinsically low activity level, possibly caused by star–planet tidal interaction, as suggested by previous studies. Re-scaling the solar irradiance reference spectrum to match the flux of the Si iv line, yields an XUV integrated flux at the planet orbit of 10.2 erg s{sup −1} cm{sup −2}. We employ the rescaled XUV solar fluxes to models of the planetary upper atmosphere, deriving an extremely low thermal mass-loss rate of 10{sup −20} M {sub J} Gyr{sup −1}. For such high-mass planets, thermal escape is not energy limited, but driven by Jeans escape.

79 ASTRONOMY AND ASTROPHYSICS↗

Multizone Modeling of Black Hole Accretion and Feedback in 3D GRMHD: Bridging Vast Spatial and Temporal Scales

Simulating accretion and feedback from the horizon scale of supermassive black holes (SMBHs) out to galactic scales is challenging because of the vast range of scales involved. Elaborating on H. Cho et al., we describe and test a "multizone" technique, which is designed to tackle this difficult problem in three-dimensional general relativistic magnetohydrodynamic (GRMHD) simulations. While short-timescale variability should be interpreted with caution, the method is demonstrated to be well-suited for finding dynamical steady states over a wide dynamic range. We simulate accretion on a nonspinning SMBH ($a\ast$ = 0) using initial conditions and the external galactic potential from a large-scale galaxy simulation and achieve a steady state over eight decades in radius. As found in H. Cho et al., the density scales with radius as ρ ∝ r –1 inside the Bondi radius R B , which is located at R B = 2 × 10 5 r g (≈60 pc for M87), where r g is the gravitational radius of the SMBH; the plasma-β is ~ unity, indicating an extended magnetically arrested state; the mass accretion rate $\dot{M}$ is ≈1% of the analytical Bondi accretion rate ${\dot{M}}_{{\rm{B}}};$ and there is continuous energy feedback out to ≈100R B (or beyond > kpc) at a rate $\approx 0.02\dot{M}{c}^{2}$. Surprisingly, no ordered rotation in the external medium survives as the magnetized gas flows to smaller radii, and the final steady solution is very similar to when the exterior has no rotation. Using the multizone method, we simulate GRMHD accretion over a wide range of Bondi radii, R B ~ 10 2 –10 7 r g , and find that $\dot{M}/{\dot{M}}_{{B}}\approx {({R}_{{B}}/6\,{r}_{g})}^{-0.5}$.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of Disorder and Defects on Bond Energies in Highly Fluorinated Graphene

Fluorinated graphite materials are of interest for an assortment of applications and can be synthesized under a variety of synthetic conditions from many different types of carbon. Due to such variations, structural disorders in the form of defects and polymorphism are often present. Here, we investigate the impact of local structural variations on the C–F bond dissociation energies (BDEs) in carbon-based fluoride materials using density functional theory (DFT) computational methods. Employing fluorographene (FG) cluster models, we determine the impact of different C–F bonding configurations in the core of each platelet on the equilibrium BDEs for each C–F bond. The introduction of structural disorder decreases the first C–F BDE by approximately 1 eV compared to the canonical arrangement of axial C–F bonds ordered as in a network of cyclohexane “chairs”. Variability of calculated BDEs among the different polymorphs decreases upon subsequent F removal. Common structural tendencies of the adiabatic defluorination pathways for each polymorph are identified. In conclusion, our analysis suggests that at F/C ratios near 1.0, disorder in the local structure can play a significant role in the energetics of the initial carbon fluoride defluorination and that the influence of this configurational disorder diminishes with decreasing F/C ratios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Airborne Measurements of Scale‐Dependent Latent Heat Flux Impacted by Water Vapor and Vertical Velocity Over Heterogeneous Land Surfaces During the CHEESEHEAD19 Campaign

Abstract The water vapor transport associated with latent heat flux (LE) in the planetary boundary layer (PBL) is critical for the atmospheric hydrological cycle, radiation balance, and cloud formation. The spatiotemporal variability of LE and water vapor mixing ratio ( r v ) are poorly understood due to the scale‐dependent and nonlinear atmospheric transport responses to land surface heterogeneity. Here, airborne in situ measurements with the wavelet technique are utilized to investigate scale‐dependent relationships among LE, vertical velocity ( w ) variance (), and r v variance () over a heterogeneous surface during the Chequamegon Heterogeneous Ecosystem Energy‐balance Study Enabled by a High‐density Extensive Array of Detectors 2019 (CHEESEHEAD19) field campaign. Our findings reveal distinct scale distributions of LE, , and at 100 m height, with a majority scale range of 120 m–4 km in LE, 32 m–2 km in , and 200 m–8 km in . The scales are classified into three scale ranges, the turbulent scale (8–200 m), large‐eddy scale (200 m–2 km), and mesoscale (2–8 km) to evaluate scale‐resolved LE contributed by and . The large‐eddy scale in PBL contributes over 70% of the monthly mean total LE with equal parts (50%) of contributions from and . The monthly temporal variations mainly come from the first two major contributing classified scales in LE, , and . These results confirm the dominant role of the large‐eddy scale in the PBL in the vertical moisture transport from the surface to the PBL, while the mesoscale is shown to contribute an additional ∼20%. This analysis complements published scale‐dependent LE variations, which lack detailed scale‐dependent vertical velocity and moisture information.

54 ENVIRONMENTAL SCIENCES↗

Digital twins and deep learning segmentation of defects in monolayer MX 2 phases

Developing methods to understand and control defect formation in nanomaterials offers a promising route for materials discovery. Monolayer MX 2 phases represent a particularly compelling case for defect engineering of nanomaterials due to the large variability in their physical properties as different defects are introduced into their structure. However, effective identification and quantification of defects remain a challenge even as high-throughput scanning transmission electron microscopy methods improve. This study highlights the benefits of employing first principles calculations to produce digital twins for training deep learning segmentation models for defect identification in monolayer MX 2 phases. Around 600 defect structures were obtained using density functional theory calculations, with each monolayer MX 2 structure being subjected to multislice simulations for the purpose of generating the digital twins. Several deep learning segmentation architectures were trained on this dataset, and their performances evaluated under a variety of conditions such as recognizing defects in the presence of unidentified impurities, beam damage, grain boundaries, and with reduced image quality from low electron doses. Further, this digital twin approach allows benchmarking different deep learning architectures on a theory dataset, which enables the study of defect classification under a broad array of finely controlled conditions. It thus opens the door to resolving the underpinning physical reasons for model shortcomings and potentially chart paths forward for automated discovery of materials defect phases in experiments.

36 MATERIALS SCIENCE↗

It's a dark, dark world: background evolution of interacting φCDM models beyond simple exponential potentials

We study the background cosmological dynamics with a three component source content: a radiation fluid, a barotropic fluid to mimic the matter sector and a single scalar field which can act as dark energy giving rise to the late-time accelerated phase. Using the well-known dimensionless variables, we cast the dynamical equations into an autonomous system of ordinary differential equations (ASODE), which are studied by computing the fixed points and the conditions for their stability. The matter fluid and the scalar field are taken to be uncoupled at first and later, we consider a coupling between the two of the form Q = √(2/3)κβρ{sub m} φ̇ where ρ{sub m} is the barotropic fluid density. The key point of our analysis is that for the closure of ASODE, we only demand that the jerk, Γ = V V ''/ V '{sup 2} is a function of acceleration, z = −M{sub p}V'/V, that is, Γ = 1+ f ( z ). In this way, we are able to accommodate a large class of potentials that goes beyond the simple exponential potentials. The analysis is completely generic and independent of the form of the potential for the scalar field. As an illustration and confirmation of the analysis, we consider f ( z ) of the forms μ/ z {sup 2}, μ/ z , (μ− z )/ z {sup 2} and (μ− z ) to numerically compute the evolution of cosmological parameters with and without coupling. Implications of the approach and the results are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Graph-learning approach to combine multiresolution seismic velocity models

SUMMARY The resolution of velocity models obtained by tomography varies due to multiple factors and variables, such as the inversion approach, ray coverage, data quality, etc. Combining velocity models with different resolutions can enable more accurate ground motion simulations. Toward this goal, we present a novel methodology to fuse multiresolution seismic velocity maps with probabilistic graphical models (PGMs). The PGMs provide segmentation results, corresponding to various velocity intervals, in seismic velocity models with different resolutions. Further, by considering physical information (such as ray path density), we introduce physics-informed probabilistic graphical models (PIPGMs). These models provide data-driven relations between subdomains with low (LR) and high (HR) resolutions. Transferring (segmented) distribution information from the HR regions enhances the details in the LR regions by solving a maximum likelihood problem with prior knowledge from HR models. When updating areas bordering HR and LR regions, a patch-scanning policy is adopted to consider local patterns and avoid sharp boundaries. To evaluate the efficacy of the proposed PGM fusion method, we tested the fusion approach on both a synthetic checkerboard model and a fault zone structure imaged from the 2019 Ridgecrest, CA, earthquake sequence. The Ridgecrest fault zone image consists of a shallow (top 1 km) high-resolution shear-wave velocity model obtained from ambient noise tomography, which is embedded into the coarser Statewide California Earthquake Center Community Velocity Model version S4.26-M01. The model efficacy is underscored by the deviation between observed and calculated traveltimes along the boundaries between HR and LR regions, 38 per cent less than obtained by conventional Gaussian interpolation. The proposed PGM fusion method can merge any gridded multiresolution velocity model, a valuable tool for computational seismology and ground motion estimation.

Geochemistry & Geophysics↗

The Effects of Radiation and Emitted Light Transport on the Positional Response of 11 cm × 42.5 cm × 5.5 cm NaI(Tl) Detectors

Experiments were performed with 30 11 cm x 42.5 x cm 5.5 cm NaI(Tl) detectors to better understand their positional response. Spectra were collected using 0.02 to 0.15 MBq point sources of 241 Am, 137 Cs, 60 Co, and 133 Ba positioned on lines parallel and perpendicular to the long axis of the crystal along both the narrow and wide detector faces as well as at different distances from them. A greater density of positions was sampled at the ends of the detector, and repeated measurements were made to examine potential gain drifts during the experiment. Spectroscopic peak counts, spectroscopic pulse heights, and net counts were analyzed. Empirical equations were fit to the aforementioned data for each specific source energy as a function of source position. In addition, a Monte Carlo radiation transport code was used to simulate the expected positionally variable response based solely upon radiation absorption. The simulated radiation transport efficiency functions were compared to the experimental data. The effects of the geometric radiation efficiency, the attenuation and scattering of emitted light within the scintillation crystal, and combined effects such as non-uniformity of the photomultiplier tube photocathode response and crystal irregularities were then distinguished. Functions describing each effect were derived. The results suggest potential new corrections to data obtained with large scintillation detectors as well as a novel approach to partial positional gamma-ray detection with minimal collimation, given that the energy resolution is within reason for particular photopeaks.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

High-Temperature Gas-Cooled Reactors Multiphysics Simulation Demonstration and Code Validation

This study presents a comprehensive benchmarking and verification effort of several thermal-hydraulic and multiphysics capabilities for high-temperature gas-cooled reactor applications. The first part of this effort focuses on the running-in verification of Griffin’s multiphysics capabilities, specifically for simulating the evolution of pebble-bed reactor cores from startup to equilibrium. Since Fiscal Year 2024, improvements and enhancements have been implemented in Griffin, including simplifying the process to specify streamlines and developing the online cross-section generation capability. In the absence of validation data, code-to-code comparisons are conducted with kugelpy, showing good agreement for integral quantities like k-eff predictions and predictions for maximum power density. However, accuracy issues are noted for more detailed quantities like the spatial distribution of fission rate densities which will require further work to address. The second part of this report presents an improved System Analysis Module (SAM) core channel model where the effects of cross flow are considered during the pressurized loss of forced cooling transient, resulting in an improved agreement of the predicted pebble temperature with respect to the predictions from the SAM 2D porous media model. Additionally, the wall channeling effect due to variable porosity at the near wall region of the core is also investigated. Furthermore, to demonstrate Griffin’s online cross-section generation capability, a Multiphysics simulation is performed by coupling Griffin to the SAM core channel model. In the third part of the report, as a part of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency (OECD/NEA) thermal-hydraulic code validation benchmark activity for a high-temperature gas-cooled reactor, the High Temperature Test Facility (HTTF) is investigated first using the NekRS computational fluid dynamics (CFD) code to study the flow mixing phenomenon in the lower plenum of the facility. Then, code-to-code and code-to-data comparisons are performed for Test PG27, which is a pressurized conduction cooldown (PCC) test, using five different codes by six organizations from five countries. The different simulations show good agreements in terms of the general trend but there are differences in some results such as the peak temperatures of different regions and heat removal rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Effect of Pressure on the Electronic, Magnetic, and Optical Properties of the In{sub 0.75}Cr{sub 0.25}P Compound

Using the density functional theory (DFT) approach and full-potential linearized augmented plane waves (FP-LAPW) method, some of the electronic (density of states, band structure, and Fermi surfaces), magnetic (total and local magnetic moments, spin polarization, exchange constants), and optical properties (dielectric function, energy loss function, and refractive index) were investigated. The GGA + U approximation was used for the exchange-correlation term. The effect of hydrostatic pressure up to 20 GP has been studied on these properties. The results show that the In{sub 0.75}Cr{sub 0.25}P compound is a half metal with 100% spin polarization at the Fermi level and the increment of pressure does not change its half-metallic behavior. The half-metal gap achieved for this compound is variable between 1.38 and 1.5 eV. The interaction between Cr and P atoms in this compound is an anti-ferromagnetic type. It was observed that the total magnetic moment for this compound is about 3 μ{sub B}. Local magnetic moments change with increasing pressure, but the total magnetic moment remains unaffected by increasing the pressure. Calculations of the optical properties of the In{sub 0.75}Cr{sub 0.25}P compound showed that the dominant mechanism for the low-energy photons is due to the induced free carriers of the Cr atom, and the optical properties of this compound, in particular the refractive index in the visible region, change with increasing pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Microstructural Analysis and Texture Evolution of the CVCEDed AZ31 Magnesium Alloy by Hot Rolling

Grain refinement is one of the important methods to improve the performance of magnesium alloy sheets. This paper attempts to prepare the billets of AZ31 magnesium alloy sheets by continuous variable cross-section direct extrusion (CVCDE) and then prepare sheets by rolling. The results show that the average grain size of the sheets rolled from extruded products by CVCDE with 2 interim dies reduced by 30% and the tensile strength increased by 12.6% compared with the sheets rolled from extruded products by traditional extrusion (CE), which is related to the dislocation multiplication in the corresponding conditions. The high dislocation density hinders the plastic deformation of the material, which is one of the internal factors that cause the increase in the strength of the material and the decrease in the plasticity. In addition, the basal surface of a lot of grains of the sheets rolled from extruded products by CVCDE with 2 interim dies is parallel to the RD-TD plane and the strength of texture is high. Meanwhile, the value of average Schmid factor of the sheets rolled from extruded products by CVCDE with 2 interim dies along the rolling direction is lowest, which result in lower plasticity. The above research provides a new idea for the development of high-performance magnesium alloy sheets.

36 MATERIALS SCIENCE↗

Impact of high-fidelity temperature feedback modeling on fusion blanket neutronics

Accurate modeling and simulation of neutron and gamma transport and interactions within fusion tokamaks represents a critical area of research for fusion energy development. This paper presents a method to couple computational fluid dynamics (CFD) results to high-fidelity neutronics analyses, to explore the fusion neutronics’ feedback to blanket temperature and density. This method is demonstrated on a sector model of a tokamak with immersion molten salt blanket, and the relative differences in tritium breeding ratio (TBR) with spatially-resolved temperature modeling are explored. Additionally, the influence of higher fidelity neutronics results on the subsequent CFD analysis is explored. Results show that global TBR changes $<$0.1% due to temperature spatial distribution modeling. However, local TBR in areas with high temperature variability can have up to ∼4% difference.

blanket fusion↗

Cluster Structures with Machine Learning Support in Neutron Star M-R relations

Neutron stars (NS) are compact objects with strong gravitational fields, and a matter composition subject to extreme physical conditions. The properties of strongly interacting matter at ultra-high densities and temperatures impose a big challenge to our understanding and modelling tools. Some difficulties are critical, since one cannot reproduce such conditions in our laboratories or assess them purely from astronomical observations. The information we have about neutron star interiors are often extracted indirectly, e.g., from the star mass-radius relation. The mass and radius are global quantities and still have a significant uncertainty, which leads to great variability in studying the micro-physics of the neutron star interior. This leaves open many questions in nuclear astrophysics and the suitable equation of state (EoS) of NS. Recently, new observations appear to constrain the mass-radius and consequently has helped to close some open questions. In this work, utilizing modern machine learning techniques, we analyze the NS mass-radius (M-R) relationship for a set of EoS containing a variety of physical models. Our objective is to determine patterns through the M-R data analysis and develop tools to understand the EoS of neutron stars in forthcoming works.

79 ASTRONOMY AND ASTROPHYSICS↗

The SAMI Galaxy Survey: stellar population and structural trends across the Fundamental Plane

ABSTRACT We study the Fundamental Plane (FP) for a volume- and luminosity-limited sample of 560 early-type galaxies from the SAMI survey. Using r-band sizes and luminosities from new multi-Gaussian expansion photometric measurements, and treating luminosity as the dependent variable, the FP has coefficients a = 1.294 ± 0.039, b = 0.912 ± 0.025, and zero-point c = 7.067 ± 0.078. We leverage the high signal-to-noise ratio of SAMI integral field spectroscopy, to determine how structural and stellar population observables affect the scatter about the FP. The FP residuals correlate most strongly (8σ significance) with luminosity-weighted simple stellar population (SSP) age. In contrast, the structural observables surface mass density, rotation-to-dispersion ratio, Sérsic index, and projected shape all show little or no significant correlation. We connect the FP residuals to the empirical relation between age (or stellar mass-to-light ratio Υ⋆ ) and surface mass density, the best predictor of SSP age amongst parameters based on FP observables. We show that the FP residuals (anti)correlate with the residuals of the relation between surface density and Υ⋆ . This correlation implies that part of the FP scatter is due to the broad age and Υ⋆ distribution at any given surface mass density. Using virial mass and Υ⋆, we construct a simulated FP and compare it to the observed FP. We find that, while the empirical relations between observed stellar population relations and FP observables are responsible for most (75 per cent) of the FP scatter, on their own they do not explain the observed tilt of the FP away from the virial plane.

D’Eugenio, Francesco↗

Observation of Quasiparticle Pair Production and Quantum Entanglement in Atomic Quantum Gases Quenched to an Attractive Interaction

We report observation of quasiparticle pair-production and characterize quantum entanglement created by a modulational instability in an atomic superfluid. By quenching the atomic interaction to attractive and then back to weakly repulsive, we produce correlated quasiparticles and monitor their evolution in a superfluid through evaluating the in situ density noise power spectrum, which essentially measures a 'homodyne' interference between ground state atoms and quasiparticles of opposite momenta. We observe large amplitude growth in the power spectrum and subsequent coherent oscillations in a wide spatial frequency band within our resolution limit, demonstrating coherent quasiparticle generation and evolution. Here, the spectrum is observed to oscillate below a quantum limit set by the Peres-Horodecki separability criterion of continuous-variable states, thereby confirming quantum entanglement between interaction quench-induced quasiparticles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗