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At least 253 records · Page 14

Unstructured and adaptive mesh generation for high Reynolds number viscous flows

A method for generating and adaptively refining a highly stretched unstructured mesh suitable for the computation of high-Reynolds-number viscous flows about arbitrary two-dimensional geometries was developed. The method is based on the Delaunay triangulation of a predetermined set of points and employs a local mapping in order to achieve the high stretching rates required in the boundary-layer and wake regions. The initial mesh-point distribution is determined in a geometry-adaptive manner which clusters points in regions of high curvature and sharp corners. Adaptive mesh refinement is achieved by adding new points in regions of large flow gradients, and locally retriangulating; thus, obviating the need for global mesh regeneration. Initial and adapted meshes about complex multi-element airfoil geometries are shown and compressible flow solutions are computed on these meshes.

Mavriplis, D. J.↗

Cluster evolution as a probe of primordial density fluctuations

Although COBE's detection of large angle microwave background anisotropies fixes the amplitude of density fluctuations on length scales k exp -1 approximately = (300-6000) h(exp -1)Mpc, what is crucial for the level of large scale clustering is the amplitude of density fluctuations on scales (5-50) h(exp -1)Mpc. The level of dynamical clustering is usually parameterized by the size of the mass fluctuations in 8 h exp -1 Mpc spheres, sigma sub 8. For the cold dark matter model, COBE gives sigma sub 8 approximately = 1, while models with extra large scale power give sigma sub 8 approximately = 1/2. The most massive clusters of galaxies (greater than or approximately = 10 exp 15 solar mass) form from rare 'peak patches' found in the initial mass density distribution. Their abundance as a function of redshift is a sensitive probe of the wave number band k(exp -1) approx. (3-8) h(exp -1)Mpc, hence of sigma sub 8, and so cluster evolution can discriminate among models allowed by the COBE results. We use our Hierarchical Peaks Method, which accurately reproduces the results of P3M N-body simulations, to calculate the evolution of cluster x-ray flux counts, luminosity, and temperature functions as a function of sigma sub 8 for CDM models and those with more large scale power. We find that the EMSS and Edge et al. cluster samples support sigma sub 8 in the range from approx. 0.6-0.9, and that models with more large scale power (and hence flatter fluctuation spectra in the cluster regime) fit the x-ray bright end better.

Bond, J. Richard↗

Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications

A method of simulating the drying process of a soft matter solution with an implicit solvent model by moving the liquid-vapor interface is applied to various solution films and droplets. For a solution of a polymer and nanoparticles, we observe “polymer-on-top” stratification, similar to that found previously with an explicit solvent model. Furthermore, “polymer-on-top” is found even when the nanoparticle size is smaller than the radius of gyration of the polymer chains. For a suspension droplet of a bidisperse mixture of nanoparticles, we show that core-shell clusters of nanoparticles can be obtained via the “small-on-outside” stratification mechanism at fast evaporation rates. “Large-on-outside” stratification and uniform particle distribution are also observed when the evaporation rate is reduced. Polymeric particles with various morphologies, including Janus spheres, core-shell particles, and patchy particles, are produced from drying droplets of polymer solutions by combining fast evaporation with a controlled interaction between the polymers and the liquid-vapor interface. Our results validate the applicability of the moving interface method to a wide range of drying systems. The limitations of the method are pointed out and cautions are provided to potential practitioners on cases where the method might fail.

36 MATERIALS SCIENCE↗

Data-Driven Whole-Genome Clustering to Detect Geospatial, Temporal, and Functional Trends in SARS-CoV-2 Evolution

Current methods for defining SARS-CoV-2 lineages ignore the vast majority of the SARS-CoV-2 genome. We develop and apply an exhaustive vector comparison method that directly compares all known SARS-CoV-2 genome sequences to produce novel lineage classifications. We utilize data-driven models that (i) accurately capture the complex interactions across the set of all known SARS-CoV-2 genomes, (ii) scale to leadership-class computing systems, and (iii) enable tracking how such strains evolve geospatially over time. We show that during the height of the original Omicron surge, countries across Europe, Asia, and the Americas had a spatially asynchronous distribution of Omicron sub-strains. Moreover, neighboring countries were often dominated by either different clusters of the same variant or different variants altogether throughout the pandemic. Analyses of this kind may suggest a different pattern of epidemiological risk than was understood from conventional data, as well as produce actionable insights and transform our ability to prepare for and respond to current and future biological threats.

Jacobson, Daniel↗

Convolutional Variational Autoencoder-based Unsupervised Learning for Power Systems Faults

Classification of power system event data is a growing need, particularly where non-protective relaying-based sensors are used to monitor grid performance. Given the high burden of obtaining event data with appropriate labeling, an unsupervised approach is highly valuable. This approach enables using event data without labeling, which is far easier to obtain. This paper presents an unsupervised learning method to classify and label transients observed in the distribution grid. A Convolutional Variational Autoencoder (CVAE) was developed for this purpose. We demonstrate the efficacy of our approach using the transient data generated from the simulations. The simulation data is used to train the CVAE that identifies different faults as different clusters in the latent space. The clusters are then used as the foundation model to categorize the real-world data.

Alam, Maksudul↗

Hypernetwork science via high-order hypergraph walks

We propose high-order hypergraph walks as a framework to generalize graph-based network science techniques to hypergraphs. Edge incidence in hypergraphs is quantitative, yielding hypergraph walks with both length and width. Graph methods which then generalize to hypergraphs include connected component analyses, graph distance-based metrics such as closeness centrality, and motif-based measures such as clustering coefficients. We apply high-order analogs of these methods to real world hypernetworks, and show they reveal nuanced and interpretable structure that cannot be detected by graph-based methods. Lastly, we apply three generative models to the data and find that basic hypergraph properties, such as density and degree distributions, do not necessarily control these new structural measurements. Our work demonstrates how analyses of hypergraph-structured data are richer when utilizing tools tailored to capture hypergraph-native phenomena, and suggests one possible avenue towards that end.

97 MATHEMATICS AND COMPUTING↗

High-throughput investigation of structural evolution upon solid-state in Cu–Cr–Co combinatorial multilayer thin-film

Cu-Cr-Co combinatorial multilayer thin-films were prepared by a high-throughput ion beam sputtering system. Based on the thickness ratio among the individual nanoscale monolayers (Cu, Cr, Co), the resulting stoichiometry covered the entire phase diagram. The chemical composition and structure of Cu-Cr-Co combinatorial chip upon solid-state reaction were studied by lab-based micro-X-ray fluorescence (mu-XRF) and high-throughput synchrotron X-ray diffraction (XRD), respectively. A composition-structure map for Cu-Cr-Co combinatorial chip was developed through automated data analysis employing hierarchical clustering techniques. The structural evolution of Cu-Cr-Co combinatorial chip as a function of heat-treatment temperature, time, and modulation period were studied systematically. Furthermore, the effect of the elemental distribution in-depth direction was investigated to gain more insights regarding phase transformation. This work provides an efficient method and new perspectives for the design and optimization of the composition and structure of high-performance thin-films.

36 MATERIALS SCIENCE↗

Demonstration of MOOSE-based Griffin reactor physics, code for heterogeneous lead-cooled fast reactor analysis

The MOOSE-based reactor physics code Griffin was assessed on a heterogeneous pin-resolved model of a prototype lead-cooled fast reactor assembly. This model was developed in preparation for future use in MOOSE-based multiphysics calculations for computing hot channel factors. Heterogeneous multigroup cross sections were prepared using the fast reactor multi-group cross section processing code MC{sup 2}-3 using a two-step method. Griffin simulations were performed using the DFEM-SN solver on 576 cores on Argonne's LCRC cluster. Diffusion-based acceleration methods were applied (NDA and CMFD). Reference solutions were generated with continuous energy MCNP and the hybrid MOC/finite element solver PROTEUS-MOC for code-to-code comparison. Space-angle convergence studies were conducted to observe convergence in k-eigenvalue and axial pin power distributions. The fully resolved Griffin calculation was within 68 pcm of the MCNP eigenvalue and exhibited max 1.2% relative error in the axial pin power distribution. Griffin produced nearly identical results to PROTEUS-MOC when using the same 9-group multigroup cross-section set. Griffin demonstrated favorable scaling in wall-clock time and memory usage when using diffusion-based acceleration methods. Griffin is capable of simulating the pin-resolved heterogeneous LFR assembly with good accuracy and performance, and is suitable for future use in coupled high-fidelity hot channel factor simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DESI Data Release 2 ELGs: Property-dependent subsamples, imaging systematics, and clustering

Using emission-line galaxies (ELGs) from the Dark Energy Spectroscopic Instrument (DESI) Data Release 2, we evaluate a property-dependent correction to imaging systematics. We derive systematic weights following the same linear regression method used for other DESI tracers, but do so separately on ELG subsamples to provide a physically-informed alternative to the fiducial, neural-network-based approach. In doing so, we show that the deeper imaging in the Dark Energy Survey (DES) footprint leads to a higher overall number density but a lack of targets with extreme $g-r$ and $r-z$ colors. ELGs in the DES region also show a distinct redshift distribution when subsampled by position in the $g-r$ vs. $r-z$ plane. To address these effects, we implement a separate treatment of the DES footprint within the DESI catalog production pipeline, which is generally well-motivated and, in some cases, imperative for accurate clustering measurements. With DES treated separately, we find that property-dependent systematic weights further mitigate spurious clustering signal in $\sim$10% of subsamples, while the fiducial scheme remains optimal for the full sample.

Hagen, T. [Utah U.]↗

Global Sensitivity Analysis of a Reactive Transport Model for Mineral Scale Formation During Hydraulic Fracturing

Injection of water-based hydraulic fracturing fluid (HFF) into tight shale gas/oil formations can increase formation permeability and enhance production rates, but this process frequently causes mineral scale formation that can occlude pore space and hinder flow. To identify the most important factors that control the formation of mineral scales, we applied a novel global sensitivity analysis method—distance-based generalized sensitivity analysis (DGSA)—to a reactive transport model (RTM) that was previously built and calibrated to simulate precipitation of barite [BaSO4] and iron (hydr)oxide [Fe(OH) 3 ] in shale matrices and on fracture surfaces. Reactive transport simulations were run with model parameters randomly sampled based on assigned uncertainties. Modeling results for barite and Fe(OH)3 formation were clustered using machine-learning algorithms. A list of ranked critical input parameters was obtained after statistical quantification of cumulative distribution functions of input parameters. We found that barite formation is most sensitive to the rate of sulfate ion generation, which is determined by the pyrite dissolution rate coefficient and oxidant availability. In addition, barite formation is sensitive to the initial amounts of barite in HFF and shale, followed by barite thermodynamics/kinetics. For Fe(OH) 3 formation, the ranked factors are Fe(OH)3 precipitation rate coefficients, initial HFF pH, initial Fe(OH) 3 amount in HFF, and oxidant availability. Overall, our results provide insights into managing mineral scale formation during hydraulic fracturing to enhance production. Meanwhile, this study serves as an example of global sensitivity analysis of RTMs using the efficient, straightforward, and open-source DGSA method.

58 GEOSCIENCES↗

Validation of a High-Order Compact Code for Nonlinear Flows About Complex Geometric

The slides review computational requirements for nozzle exhaust flow and noise calculations and the current numerical method, validation of prefactored compact scheme on CAA benchmark problems, a curvilinear grid performance test of gust response of a Joukowski airfoil, airfoil surface RMS pressure distribution and far field noise radiation results for Joukowski airfoil in a vortical gust, boundary distance study for Joukowski airfoil problem, and performance of ICOMP parallel Macintosh cluster.

Hixon, Ray↗

Phytoplankton Diversity and Chemotaxonomy in Contrasting North Pacific Ecosystems

Background. Phytoplankton is the base of majority of ocean ecosystems. It is responsible for half of the global primary production, and different phytoplankton taxa have a unique role in global biogeochemical cycles. In addition, phytoplankton abundance and diversity are highly susceptible to climate induced changes, hence monitoring of phytoplankton and its diversity is important and necessary. Methods. Water samples for phytoplankton and photosynthetic pigment analyses were collected in boreal winter 2017, along transect in the North Pacific Subtropical Gyre (NPSG) and the California Current System (CCS). Phytoplankton community was analyzed using light and scanning electron microscopy and photosynthetic pigments by high-performance liquid chromatography. To describe distinct ecosystems, monthly average satellite data of MODIS Aqua Sea Surface temperature and Chlorophyll a concentration, as well as Apparent Visible Wavelength were used. Results. A total of 207 taxa have been determined, mostly comprised of coccolithophores (35.5%), diatoms (25.2%) and dinoflagellates (19.5%) while cryptophytes, phytoflagellates and silicoflagellates were included in the group ``others" (19.8%). Phytoplankton spatial distribution was distinct, indicating variable planktonic dispersal rates and specific adaptation to ecosystems. Dinoflagellates, and nano-scale coccolithophores dominated NPSG, while micro-scale diatoms, and cryptophytes prevailed in CCS. A clear split between CCS and NPSG is evident in dendogram visualising LINKTREE constrained binary divisive clustering analysis done on phytoplankton counts and pigment oncentrations. Of all pigments determined, alloxanthin, zeaxanthin, divinyl chlorophyll b and lutein have highest correlation to phytoplankton counts. Conclusion. Combining chemotaxonomy and microscopy is an optimal method to determine phytoplankton diversity on a large-scale transect. Distinct communities between the two contrasting ecosystems of North Pacific reveal phytoplankton groups specific adaptations to trophic state, and support the hypothesis of shift from microto nano-scale taxa due to sea surface temperatures rising, favoring stratification and oligotrophic conditions.

oceanography↗

A Census of Young Stellar Objects in Two Line-of-Sight Star-Forming Regions Toward IRAS 22147+5948 in the Outer Galaxy

Context. Star formation in the outer Galaxy, namely, outside of the Solar circle, has not been extensively studied in part due to the low CO brightness of the molecular clouds linked with the negative metallicity gradient. Recent infrared surveys provide an overview of dust emission in large sections of the Galaxy, but they suffer from cloud confusion and poor spatial resolution at far-infrared wavelengths. Aims. We aim to develop a methodology to identify and classify young stellar objects (YSOs) in star-forming regions in the outer Galaxy and use it to resolve a long-standing disparity in terms of the distance and evolutionary status of IRAS 22147+5948. Methods. We used a support vector machine learning algorithm to complement standard color–color and color–magnitude diagrams in our search for YSOs in the IRAS 22147 region, based on publicly available data from the Spitzer Mapping of the Outer Galaxy survey. The agglomerative hierarchical clustering algorithm was used to identify clusters. Then the physical properties of individual YSOs were calculated. The distances were determined using CO 1–0 from the Five College Radio Astronomy Observatory survey. Results. We identified 13 Class I and 13 Class II YSO candidates using the color–color diagrams, along with an additional 2 and 21 sources, respectively, using the applied machine learning techniques. The spectral energy distributions of 23 sources were modeled with a star and a passive disk, corresponding to Class II objects. The models of three sources include envelopes that are typical for Class I objects. The objects were grouped into two clusters located at a distance of 2:2 kpc and 5 clusters at 5:6 kpc. The spatial extent of CO, radio continuum, and dust emission confirms the origin of YSOs in two distinct star-forming regions along a similar line of sight. Conclusions. The outer Galaxy may serve as a unique laboratory for exploring star formation across environments, on the condition that complementary methods and ancillary data are used to properly account for cloud confusion and distance uncertainties.

Agata Karska↗

Joint Management and Optimization of Residential Natural Gas and Electricity Distribution Networks Coupled via Fuel Cells

The interesting properties of natural gas as well as the growing electric power demand worldwide have led to increasing attention to natural-gas-based distributed generation applications in electric distribution systems. This paper goes over the interdependency between a residential natural gas network and an electric distribution network that are coupled via fuel cells. The modeling of the gas network is introduced first, and then the algorithm for gas flow study is presented. The optimal placement and sizing of fuel cell based distributed generation systems are formulated to minimize the losses in both the gas and electric distribution networks, subject to their model constraints. In addition to this, in order to capture the probabilistic nature of the optimization problem under study, the K-means clustering algorithm is applied to the gas and electricity demands to determine hourly load states and their corresponding probabilities. Furthermore, simulation studies are carried out on an integrated system consisting of the IEEE 69-bus distribution feeder and a radial 27-node natural gas network to verify the developed optimization model and the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil

As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.

Lane, John E.↗

Imaging systematics induced by galaxy subsample fluctuation: New systematics at second order

Imaging systematics refers to the inhomogeneous distribution of a galaxy sample caused by varying observing conditions and astrophysical foregrounds. Current mitigation methods correct the galaxy density fluctuations $n$ gal /$\bar{n}$ gal caused by imaging systematics assuming that all galaxies in a sample have the same $n$ gal /$\bar{n}$ gal . Under this assumption, the corrected sample cannot perfectly recover the true correlation function. Here, we name this effect subsample systematics. For a galaxy sample, even if its overall sample statistics [redshift distribution 𝑛⁡(𝑧), galaxy bias 𝑏⁡(𝑧)], are accurately measured, 𝑛⁡(𝑧), 𝑏⁡(𝑧) can still vary across the observed footprint. It makes the correlation function amplitude of galaxy clustering higher, while correlation functions for galaxy-galaxy lensing and cosmic shear do not have noticeable change. Such a combination could potentially degenerate with physical signals on small angular scales, such as the amplitude of galaxy clustering, the impact of neutrino mass on the matter power spectrum, etc. subsample systematics cannot be corrected using imaging systematics mitigation approaches that rely on the cross-correlation signal between imaging systematics maps and the observed galaxy density field. In this paper, we derive formulated expressions of subsample systematics, demonstrating its fundamental difference with other imaging systematics. We also provide several toy models to visualize this effect. Finally, we discuss a potential method to estimate and mitigate subsample systematics by forward modeling its behavior using synthetic source injection.

Kong, Hui [The Barcelona Institute of Science and ↗

Brightest cluster galaxies trace weak lensing mass bias and halo triaxiality in the three hundred project

Galaxy clusters have a triaxial matter distribution. The weak-lensing signal, an important part in cosmological studies, measures the projected mass of all matter along the line of sight, and therefore changes with the orientation of the cluster. Studies suggest that the shape of the brightest cluster galaxy (BCG) in the centre of the cluster traces the underlying halo shape, enabling a method to account for projection effects. We use 324 simulated clusters at four redshifts between 0.1 and 0.6 from ‘The Three Hundred Project’ to quantify correlations between the orientation and shape of the BCG and the halo. We find that haloes and their embedded BCGs are aligned, with an average ~20 degree angle between their major axes. The bias in weak lensing cluster mass estimates correlates with the orientation of both the halo and the BCG. Mimicking observations, we compute the projected shape of the BCG, as a measure of the BCG orientation, and find that it is most strongly correlated to the weak-lensing mass for relaxed clusters. We also test a 2D cluster relaxation proxy measured from BCG mass isocontours. The concentration of stellar mass in the projected BCG core compared to the total stellar mass provides an alternative proxy for the BCG orientation. We find that the concentration does not correlate to the weak-lensing mass bias, but does correlate with the true halo mass. Here, these results indicate that the BCG shape and orientation for large samples of relaxed clusters can provide information to improve weak-lensing mass estimates.

79 ASTRONOMY AND ASTROPHYSICS↗