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At least 145 records · Page 8

A scale-wise analysis of intermittent momentum transport in dense canopy flows

We investigate the intermittent dynamics of momentum transport and its underlying time scales in the near-wall region of the neutrally stratified atmospheric boundary layer in the presence of a vegetation canopy. This is achieved through an empirical analysis of the persistence time scales (periods between successive zero-crossings) of momentum flux events, and their connection to the ejection–sweep cycle. Using high-frequency measurements from the GoAmazon campaign, spanning multiple heights within and above a dense canopy, the analysis suggests that, when the persistence time scales ( $t_p$ ) of momentum flux events from four different quadrants are separately normalized by $\varGamma _{w}$ (integral time scale of the vertical velocity), their distributions $P(t_p/\varGamma _{w})$ remain height-invariant. This result points to a persistent memory imposed by canopy-induced coherent structures, and to their role as an efficient momentum-transporting mechanism between the canopy airspace and the region immediately above. Moreover, $P(t_p/\varGamma _{w})$ exhibits a power-law scaling at times $t_{p}<\varGamma _{w}$ , with an exponential tail appearing for $t_{p} \geq \varGamma _{w}$ . By separating the flux events based on $t_p$ , we discover that around 80 % of the momentum is transported through the long-lived events ( $t_{p} \geq \varGamma _{w}$ ) at heights immediately above the canopy, while the short-lived ones ( $t_{p} < \varGamma _{w}$ ) only contribute marginally ( $\approx 20\,\%$ ). To explain the role of instantaneous flux amplitudes in momentum transport, we compare the measurements with newly developed surrogate data and establish that the range of time scales involved with amplitude variations in the fluxes tends to increase as one transitions from within to above the canopy.

Mechanics↗

Fish scale deformation analysis using scanning electron microscope: New potential biomarker in aquatic environmental monitoring of aluminum and iron contamination

Fish scale has the potential to be a rapid biomarker due to its structure and high possibility to come into contact with any pollutant in the aquatic environment. The scale structure consists of osteoblastic cells and other bone materials such as collagen where it is possible to form a molecular complex with heavy metals such as aluminum and iron. Hence, aluminum and iron in water could possibly destroy the scale material and marked as a scale deformation that quantitatively could be analyzed by comparing it to the normal scale structure. Water sampling and fish cage experiment were performed between June and July 2011 in Porong river which represented the water body that has high aluminum and iron contamination. The filtered water samples were preserved and extracted using the acid-mixture procedure prior to measurement of the aluminum and iron concentrations using Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES), while samples for total suspended solid (TSS) analysis were kept at 4 °C in cool-boxes. The scales were cleaned with sterile water, then dehydrated in 30, 50, 70, and 90% ethanol and dried on filter papers. They were then mounted on an aluminum stub and coated with gold in a sputter coater prior to Scanning Electron Microscope (SEM) observation. According to the SEM analysis, it was found that there were several deformations on the scale samples taken from sites that have high concentrations of aluminum and iron i.e. the increasing number of pits, deformation and decreasing number of spherules and ridges while the control scale exhibited the normal features. However, the site with higher TSS and pH indicated lower aluminum effect. A moderate correlation was found between the number of pits with aluminum (r=0.43) and iron (r=0.41) concentrations. Fish scale deformation using SEM analysis can potentially be a rapid biomarker in aquatic monitoring of aluminum and iron contamination. However, the measurement must be accompanied by pH and TSS observations.

36 MATERIALS SCIENCE↗

A Scale‐Dependent Analysis of the Barotropic Vorticity Budget in a Global Ocean Simulation

Abstract The climatological mean barotropic vorticity budget is analyzed to investigate the relative importance of surface wind stress, topography, planetary vorticity advection, and nonlinear advection in dynamical balances in a global ocean simulation. In addition to a pronounced regional variability in vorticity balances, the relative magnitudes of vorticity budget terms strongly depend on the length‐scale of interest. To carry out a length‐scale dependent vorticity analysis in different ocean basins, vorticity budget terms are spatially coarse‐grained. At length‐scales greater than 1,000 km, the dynamics closely follow the Topographic‐Sverdrup balance in which bottom pressure torque, surface wind stress curl and planetary vorticity advection terms are in balance. In contrast, when including all length‐scales resolved by the model, bottom pressure torque and nonlinear advection terms dominate the vorticity budget (Topographic‐Nonlinear balance), which suggests a prominent role of oceanic eddies, which are of km in size, and the associated bottom pressure anomalies in local vorticity balances at length‐scales smaller than 1,000 km. Overall, there is a transition from the Topographic‐Nonlinear regime at scales smaller than 1,000 km to the Topographic‐Sverdrup regime at length‐scales greater than 1,000 km. These dynamical balances hold across all ocean basins; however, interpretations of the dominant vorticity balances depend on the level of spatial filtering or the effective model resolution. On the other hand, the contribution of bottom and lateral friction terms in the barotropic vorticity budget remains small and is significant only near sea‐land boundaries, where bottom stress and horizontal viscous friction generally peak.

Khatri, Hemant↗

Diving into Petascale Production File Systems through Large Scale Profiling and Analysis

As leadership computing facilities grow their storage capacity into the multi- petabyte range, the number of files and directories leap into the scale of billions. A complete profiling of such a parallel file system in a production environment presents a unique challenge. On one hand, the time, resources, and negative performance impact on production users can make regular profiling difficult. On the other hand, the result of such profiling can yield much needed understanding of the file system's general characteristics, as well as provide insight to how users write and access their data on a grand scale. This paper presents a lightweight and scalable profiling solution that can efficiently walk, analyze, and profile multi-petabyte parallel file systems. This tool has been deployed and is in regular use on very large-scale production parallel file systems at both Oak Ridge National Lab's Oak Ridge Leadership Facility (OLCF) and Lawrence Livermore National Lab's Livermore Computing (LC) facilities. We present the results of our initial analysis on the data collected from these two large-scale production systems, organized into three use cases: (1) file system snapshot and composition, (2) striping pattern analysis for Lustre, and (3) simulated storage capacity utilization in preparation for future file systems. Our analysis shows that on the OLCF file system, over 96% of user files exhibit the default stripe width, potentially limiting performance on large files by underutilizing storage servers and disks. Our simulated block analysis quantitatively shows the space overhead when doing a forklift system migration. It also reveals that due to the difference in system compositions (OLCF vs. LC), we can achieve better performance and space trade-offs by employing different native file system block sizes.

Wang, Feiyi↗

Large-Scale Daylighting Analysis for Buildings, Products, and Policy

Daylighting in buildings has come under increased scorn in the wake of ubiquitous solid-state lighting (SSL), as installed lighting power densities in buildings have been reduced to the point where designers and owners question the benefits of properly-designed daylighting and electric lighting control. At the same time the very process of demonstrating well-executed daylighting to satisfy new building rating systems has become burdensome. This paper demonstrates the utility of illuminance as an input to simple, existing qualitative and quantitative metrics for daylighting performance in buildings, at scale. This assertion is supported by sensitivity analysis of a large-scale daylighting simulation dataset. Uses of this data for quantifying non-energy benefits (NEBs) of daylighting are also explored. We do not eschew the use of newer, more detailed daylight metrics in design, but we do encourage the use of simple daylight metrics for a broader range of new and retrofit building projects toward a net-zero future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Urban-scale Energy Modeling: Scaling Beyond Tax Assessor Data

In an attempt to attain building-specific characteristics for urban-scale building energy models, county-specific tax assessors’ data is often an initial data source. This data source can contain valuable information such as year built, area, height, HVAC type, and roof/wall descriptions.We will show examples of 2,000 fields from Hamilton County in Tennessee with examples of many fields which are not relevant to urban-scale building energy modeling, are incorrect compared to other data sources, and highlight some lessons learned working with such a data source.There are currently 3,142 counties in the United States, each with their own data format, field definitions, and data access policy. As urban-scale involves city-scale analysis potentially covering multiple counties and matures toward state- or nation-scale analysis, county-by-county approaches are not scalable. While there are efforts to unify these datasets, there is an increasing proliferation of data and algorithms that can cover wider areas and provide more accurate inputs for urban-scale models. This paper summarizes computer vision of imagery, cartographic layers, building type assessment, and model generation used to achieve scalable detection and analysis of buildings.

New, Joshua↗

Creation of the dam for the No. 2 Kambaratinskaya HPP by large-scale blasting: analysis of planning experience and lessons learned

Results of complex instrument observations and video taping during large-scale blasts detonated for creation of the dam at the No. 2 Kambaratinskaya HPP on the Naryn River in the Kyrgyz Republic are analyzed. Tests of the energy effectiveness of the explosives are evaluated, characteristics of LSB manifestations in seismic and air waves are revealed, and the shaping and movement of the rock mass are examined. A methodological analysis of the planning and production of the LSB is given.

13 HYDRO ENERGY↗

Covering complete proteomes with X-ray structures: a current snapshot

The current and the attainable coverage by X-ray structures of proteins and their functions on the scale of the ‘protein universe’ are estimated. A detailed analysis of the coverage across nearly 2000 proteomes from all superkingdoms of life and functional annotations is performed, with particular focus on the human proteome and the family of GPCR proteins. Structural genomics programs have developed and applied structure-determination pipelines to a wide range of protein targets, facilitating the visualization of macromolecular interactions and the understanding of their molecular and biochemical functions. The fundamental question of whether three-dimensional structures of all proteins and all functional annotations can be determined using X-ray crystallography is investigated. A first-of-its-kind large-scale analysis of crystallization propensity for all proteins encoded in 1953 fully sequenced genomes was performed. It is shown that current X-ray crystallographic knowhow combined with homology modeling can provide structures for 25% of modeling families (protein clusters for which structural models can be obtained through homology modeling), with at least one structural model produced for each Gene Ontology functional annotation. The coverage varies between superkingdoms, with 19% for eukaryotes, 35% for bacteria and 49% for archaea, and with those of viruses following the coverage values of their hosts. It is shown that the crystallization propensities of proteomes from the taxonomic superkingdoms are distinct. The use of knowledge-based target selection is shown to substantially increase the ability to produce X-ray structures. It is demonstrated that the human proteome has one of the highest attainable coverage values among eukaryotes, and GPCR membrane proteins suitable for X-ray structure determination were determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multi-scale structural analysis of proteins by deep semantic segmentation

Abstract Motivation Recent advances in computational methods have facilitated large-scale sampling of protein structures, leading to breakthroughs in protein structural prediction and enabling de novo protein design. Establishing methods to identify candidate structures that can lead to native folds or designable structures remains a challenge, since few existing metrics capture high-level structural features such as architectures, folds and conformity to conserved structural motifs. Convolutional Neural Networks (CNNs) have been successfully used in semantic segmentation—a subfield of image classification in which a class label is predicted for every pixel. Here, we apply semantic segmentation to protein structures as a novel strategy for fold identification and structure quality assessment. Results We train a CNN that assigns each residue in a multi-domain protein to one of 38 architecture classes designated by the CATH database. Our model achieves a high per-residue accuracy of 90.8% on the test set (95.0% average per-class accuracy; 87.8% average per-structure accuracy). We demonstrate that individual class probabilities can be used as a metric that indicates the degree to which a randomly generated structure assumes a specific fold, as well as a metric that highlights non-conformative regions of a protein belonging to a known class. These capabilities yield a powerful tool for guiding structural sampling for both structural prediction and design. Availability and implementation The trained classifier network, parser network, and entropy calculation scripts are available for download at https://git.io/fp6bd, with detailed usage instructions provided at the download page. A step-by-step tutorial for setup is provided at https://goo.gl/e8GB2S. All Rosetta commands, RosettaRemodel blueprints, and predictions for all datasets used in the study are available in the Supplementary Information. Supplementary information Supplementary data are available at Bioinformatics online.

Eguchi, Raphael R.↗

Cross-Scale Molecular Analysis of Chemical Heterogeneity in Shale Rocks

The organic and mineralogical heterogeneity in shale at micrometer and nanometer spatial scales contributes to the quality of gas reserves, gas flow mechanisms and gas production. Here, we demonstrate two molecular imaging approaches based on infrared spectroscopy to obtain mineral and kerogen information at these mesoscale spatial resolutions in large-sized shale rock samples. The first method is a modified microscopic attenuated total reflectance measurement that utilizes a large germanium hemisphere combined with a focal plane array detector to rapidly capture chemical images of shale rock surfaces spanning hundreds of micrometers with micrometer spatial resolution. The second method, synchrotron infrared nano-spectroscopy, utilizes a metallic atomic force microscope tip to obtain chemical images of micrometer dimensions but with nanometer spatial resolution. This chemically "deconvoluted" imaging at the nano-pore scale is then used to build a machine learning model to generate a molecular distribution map across scales with a spatial span of 1000 times, which enables high-throughput geochemical characterization in greater details across the nano-pore and micro-grain scales and allows us to identify co-localization of mineral phases with chemically distinct organics and even with gas phase sorbents. Finally, this characterization is fundamental to understand mineral and organic compositions affecting the behavior of shales.

04 OIL SHALES AND TAR SANDS↗

Scale filtering analysis of kinetic reconnection and its associated turbulence

Previously, using an incompressible von Kármán–Howarth formalism, the behavior of cross-scale energy transfer in magnetic reconnection and turbulence was found to be essentially identical to each other, independent of an external magnetic (guide) field, in the inertial and energy-containing ranges [Adhikari et al., Phys. Plasmas 30, 082904 (2023)]. However, this description did not account for the energy transfer in the dissipation range for kinetic plasmas. In this Letter, we adopt a scale-filtering approach to investigate this previously unaccounted-for energy transfer channel in reconnection. Using kinetic particle-in-cell simulations of antiparallel and component reconnection, we show that the pressure–strain interaction becomes important at scales smaller than the ion inertial length, where the nonlinear energy transfer term drops off. Also, the presence of a guide field makes a significant difference in the morphology of the scale-filtered energy transfer. These results are consistent with kinetic turbulence simulations, suggesting that the pressure strain interaction is the dominant energy transfer channel between electron scales and ion scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Linear ion-scale microstability analysis of high and low-collisionality NSTX discharges and NSTX-U projections

Linear gyrokinetic simulations were conducted to investigate ion-gyroradius-scale micro-instability predictions for high-beta NSTX discharges and NSTX-U projections that span over an order of magnitude variation in collisionality. A complex mix of microtearing modes and hybrid trapped electron modes/kinetic ballooning modes (TEM/KBM) is predicted for all experimental or projected conditions. Ion temperature gradient (ITG) instabilities are typically stable in the NSTX discharges investigated, consistent with the observed neoclassical ion thermal transport. ITG thresholds inferred from the simulations are typically much higher than the experimental NSTX gradients, as well as the projected gradients in the NSTX-U scenario, which assumed ion temperatures limited by neoclassical transport only. The analysis suggests ITG instabilities are unlikely to contribute significant anomalous thermal losses in high-beta, lower collisionality NSTX-U scenarios. On the other hand, the NSTX experimental profiles and NSTX-U projections are predicted to be very close to the predicted onset of unstable KBM at most radii investigated. The proximity of the various discharges to the KBM instability threshold implies it may play an important role in setting profile shapes and limiting global energy confinement. Here, it remains to be understood and predicted how KBM contributes to multi-channel transport (thermal and particle transport, for both ions and electrons) in a way that is consistent with experimental inferences.

36 MATERIALS SCIENCE↗

Particle-Scale Reduction Analysis of CuFeMnO 4 with Hydrogen for Chemical Looping Combustion

In this work CuFeMnO 4 (copper iron manganese oxide) oxygen carrier was characterized using DSC/TGA, in-situ XRD, and SEM-EDS to gain a clear elucidation of the chemical looping combustion (CLC) reactions with H2 which is a component of synthesis gas. A reaction model which best described the experimental TGA reaction data was selected from the analysis. Intrinsic rate of reaction parameters obtained from the study could be used for designing a reactor for scale-up. A model with combined contributions from nucleation and growth model and dimensional phase boundary model was found to exhibit the best correlation with the experimental data. The analysis provided validation of intrinsic reaction rates and other rate parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The DESI-Lensing Mock Challenge: large-scale cosmological analysis of 3x2-pt statistics

The current generation of large galaxy surveys will test the cosmological model by combining multiple types of observational probes. Realising the statistical promise of these new datasets requires rigorous attention to all aspects of analysis including cosmological measurements, modelling, covariance and parameter likelihood. In this paper we present the results of an end-to-end simulation study designed to test the analysis pipeline for the combination of the Dark Energy Spectroscopic Instrument (DESI) Year 1 galaxy redshift dataset and separate weak gravitational lensing information from the Kilo-Degree Survey, Dark Energy Survey and Hyper-Suprime-Cam Survey. Our analysis employs the 3x2-pt correlation functions including cosmic shear and galaxy-galaxy lensing, together with the projected correlation function of the spectroscopic DESI lenses. We build realistic simulations of these datasets including galaxy halo occupation distributions, photometric redshift errors, weights, multiplicative shear calibration biases and magnification. We calculate the analytical covariance of these correlation functions including the Gaussian, noise and super-sample contributions, and show that our covariance determination agrees with estimates based on the ensemble of simulations. We use a Bayesian inference platform to demonstrate that we can recover the fiducial cosmological parameters of the simulation within the statistical error margin of the experiment, investigating the sensitivity to scale cuts. This study is the first in a sequence of papers in which we present and validate the large-scale 3x2-pt cosmological analysis of DESI-Y1.

79 ASTRONOMY AND ASTROPHYSICS↗

Super massive black hole in galactic nuclei with tidal disruption of stars

Tidal disruption of stars by super massive central black holes from dense star clusters is modeled by high-accuracy direct N-body simulation. The time evolution of the stellar tidal disruption rate, the effect of tidal disruption on the stellar density profile, and, for the first time, the detailed origin of tidally disrupted stars are carefully examined and compared with classic papers in the field. Up to 128k particles are used in simulation to model the star cluster around a super massive black hole, and we use the particle number and the tidal radius of the black hole as free parameters for a scaling analysis. The transition from full to empty loss-cone is analyzed in our data, and the tidal disruption rate scales with the particle number, N, in the expected way for both cases. For the first time in numerical simulations (under certain conditions) we can support the concept of a critical radius of Frank and Rees, which claims that most stars are tidally accreted on highly eccentric orbits originating from regions far outside the tidal radius. Due to the consumption of stars moving on radial orbits, a velocity anisotropy is found inside the cluster. Finally we estimate the real galactic center based on our simulation results and the scaling analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Large scale energy analysis and renovation strategies for social housing in the historic city of Venice

Social houses built after the Second World War to accommodate workers and low-income families represent one of the major energy consumers and greenhouse gas emitters in the residential sector. Plans for their renovation are underway in all European countries, and the process is more complicated for Italian cities due to the lack of space and the large number of historical buildings. This study addresses this challenge by proposing a methodology to renovate a low-income district in the city of Venice using CityBES to model and evaluate energy conservation measures. CityBES is a web-based tool that allows users to employ urban building energy modeling for large-scale energy and retrofit analyses of building stocks. In the case study conducted for Venice's Santa Marta district, due to the particular context, four common energy conservation measures covering both the building envelope and heat generation boilers have been applied. The evaluation of energy-saving performances at the district level showed that the four measures together achieved 67% energy savings, an abatement in energy cost equal to 67%, and annual carbon dioxide emissions reduction of 1.1 MtCO 2 . Furthermore, the case study demonstrates a method and workflow replicable for energy retrofit analysis of building stocks in other historical districts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Multi-scale statistical analysis of coronal solar activity

Multi-filter images from the solar corona are used to obtain temperature maps that are analyzed using techniques based on proper orthogonal decomposition (POD) in order to extract dynamical and structural information at various scales. Exploring active regions before and after a solar flare and comparing them with quiet regions, we show that the multi-scale behavior presents distinct statistical properties for each case that can be used to characterize the level of activity in a region. Information about the nature of heat transport is also to be extracted from the analysis.

58 GEOSCIENCES↗

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders [Slides]

The SCALE code package offers multiple nuclear data libraries supporting Monte Carlo transport, with sensitivity and uncertainty methods derived from MC transport solutions. Several libraries are multigroup, which introduce bias differing by system. Previous work has shown poor S/U results in several reflector materials: ICSBEP benchmark HMF-084 was selected to analyze biases and S/U method applicability to a variety of reflectors. Prior and ongoing work found inaccuracies in CSAS and TSUNAMI results, which were further investigated utilizing the HEU-MET-FAST-084 ICSBEP critical benchmark, chosen for its geometrical simplicity and variety of reflector materials. Perturbation of reflector thickness across various reflector materials allowed for an assortment of materials is to be tested swiftly for each sequence and method. Observation was an increasing bias of MG $k_{eff}$ relative to CE, in both direction and magnitude. IFP produced extremely reliable results. >85% of CLUTCH cases were found satisfactory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗