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At least 1,081 records · Page 60

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ~8-fold GPU-CPU speedup for these operations on the largest systems studied. In conclusion, the computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ~7,000 atoms.

97 MATHEMATICS AND COMPUTING↗

Heating of the solar middle chromosphere by large-scale electric currents

A global resistive, two-dimensional, time-dependent magnetohydrodynamic (MHD) model is used to introduce and support the hypothesis that the quiet solar middle chromosphere is heated by resistive dissipation of large-scale electric currents which fill most of its volume. The scale height and maximum magnitude of the current density are 400 km and 31.3 m/sq m, respectively. The associated magnetic field is almost horizontal, has the same scale height as the current density, and has a maximum magnitude of 153 G. The current is carried by electrons flowing across magnetic field lines at 1 m/s. The resistivity is the electron contribution to the Pedersen resitivity for a weakly ionized, strongly magnetized, hydrogen gas. The model does not include a driving mechanism. Most of the physical quantities in the model decrease exponentially with time on a resistive timescale of 41.3 minutes. However, the initial values and spatial; dependence of these quantities are expected to be essentially the same as they would be if the correct driving mechanism were included in a more general model. The heating rate per unit mass is found to be 4.5 x 10(exp 9) ergs/g/s, independent of height and latitude. The electron density scale height is found to be 800 km. The model predicts that 90% of the thermal energy required to heat the middle chromosphere is deposited in the height range 300-760 km above the temperature minimum. It is shown to be consistent to assume that the radiation rate per unit volume is proportional to the magnetic energy density, and then it follows that the heating rate per unit volume is also proportional to the energy from the photosphere into the overlying chromosphere are briefly discussed as possible driving mechanisms for establishing and maintaining the current system. The case in which part of or all of the current is carried by protons and metal ions, and the contribution of electron-proton scattering to the current are also considered, with the conclusion that these effects do not change the qualitative prediction of the model, but probably change the quantitative predictions slightly, mainly by increasing the maximum magntiude of the current density and magnetic field to at most approximately 100 mA/m and approximately 484 G, respectively. The heating rate per unit mass, current density scale height, magnetic field scale height, temperatures, and pressures are unchanged or are only slightly changed by including these additional effects due to protons and ions.

Goodman, M. L.↗

Observing large-scale solar surface flows with GONG: Investigation of a key element in solar activity buildup

The Global Oscillation Network Group (GONG) solar telescope network has begun regular operations, and will provide continuous Doppler images of large-scale nearly-steady motions at the solar surface, primarily those due to supergranulation. Not only the Sun's well-known magnetic network, but also flux diffusion, dispersal, and concentration at the surface appear to be controlled by supergranulation. Through such magnetoconvective interactions, magnetic stresses develop, leading to solar activity. We show a Doppler movie made from a 45.5 hr time series obtained 1995 May 9-10 using data from three of the six GONG sites (Learmonth, Tenerife, Tucson), to demonstrate the capability of this system.

Beck, John G.↗

Computational Analysis of the Large Scale Low-Boom Supersonic Inlet

This presentation describes two computational fluid dynamic (CFD) analyses done in support of a supersonic inlet test performed at NASA Glenn Research Center in the fall of 2010. The large-scale-low-boom supersonic inlet was designed for a small supersonic aircraft that would cruise at a Mach number of 1.6. It uses an axisymmetric, external compression spike to reduce the Mach number to 0.65 at the fan face. The inlet was tested in the 8x6 supersonic wind tunnel at NASA GRC using conventional pressure probes, pressure sensitive paint, and high-speed schlieren. Two CFD analyses of the inlet were performed before the test, and compared to the experimental data afterwards. Both analyses used the WIND-US code. First, an axisymmetric analysis of the inlet, diffuser, cold pipe, and mass flow plug was performed to predict the performance of the entire system in the wind tunnel. Then a 3-D analysis of the inlet with all its interior struts was performed to predict details of the flow field and effects of angle of attack. Test results showed that the inlet had excellent performance, with a peak total pressure recovery of 96 percent, and a buzz point far outside the engine operating range. The computations agreed very well with the data, with predicted recoveries within 0.3 - 0.5 points of the measurements.

Chima, ROdrick V.↗

Quantifying Mangrove Canopy Regrowth and Recovery After Hurricane Irma With Large-Scale Repeat Airborne Lidar in the Florida Everglades

Hurricane Irma caused significant damages to mangrove forested wetlands in south Florida, including defoliation, tree snapping, and uprooting. Previous studies have used optical satellite imagery to estimate large-scale forest disturbance and resilience patterns. However, satellite images alone cannot provide measurements of vertical mangrove structure. In this study, we used dense point cloud data collected by NASA Goddard’s LiDAR, Hyperspectral, and Thermal (G-LiHT) airborne imager before (March 2017) and after (December 2017 and March 2020) Hurricane Irma to quantify the recovery, or lack thereof, of the three-dimensional (3D) mangrove forest structure. Recent resilience and vulnerability models developed from Landsat time series following the storm were used to group the lidar data into distinct disturbance-recovery classes. We then analyzed lidar-based forest canopy within each of the recovery classes to test a suite of forest structural characteristics. Our results indicate that 77.0 % of the survey area experienced canopy height loss three months after Hurricane Irma, whereby the majority of canopy height loss occurred in areas with the tallest mangrove forests (i.e., 15–25 m tall). Our analysis shows that the mangrove canopy height in South Florida increased by an average 0.26 m from December 2017 to March 2020, with most of the forest (84.7 % of the survey area) experiencing canopy height regrowth. However, only 38.1 % of the survey area has recovered to pre-storm canopy height. The distribution of canopy height was significantly altered by Hurricane Irma in the low and intermediate resilience classes, but were not significantly different 2.5 years later. Indeed, in areas of low resilience, little to no vertical change has occurred suggesting the absence of canopy regrowth and natural regeneration. Conversely, mangroves in high resilience class, which are dominated by shorter canopies (<5 m), were not heavily damaged by the storm and have maintained the same structural attributes as those before Hurricane Irma. Our findings highlight that hurricane disturbances significantly alter mangrove forest canopy structure, but recovery of vertical structure varies by resilience classes, species composition, and canopy height.

Lidar↗

Crystal plasticity model of BCC metals from large-scale MD simulations

Accurate crystal plasticity models that faithfully capture the behavior of single crystals under a wide range of loading conditions, such as loading direction, strain rate, and temperature, are still lacking. Here we introduce a novel approach in which a crystal plasticity (CP) model is informed directly from and calibrated to large-scale quantum-accurate MD simulations in which single crystal BCC Ta serves as a testbed material. By analyzing our large set of MD simulations several key insights are obtained leading us to modify constitutive assumptions in order to address deficiencies of existing CP models. Importantly, we observe that the standard notion of fixed slip systems – pairs of slip directions and slip planes – is inadequate for describing high-rate plasticity in BCC tantalum at room temperature. Instead, pencil glide defined as dislocation motion in the maximum resolved shear stress planes (MRSSP) of each Burgers vector is fully consistent with our MD simulation data while providing significant simplifications of the constitutive relations. Herein, our resulting new CP model closely matches the behavior of single crystals observed in high-rate MD simulations while being fully consistent with lower rate experimental results.

36 MATERIALS SCIENCE↗

The large-scale environment of thermonuclear and core-collapse supernovae

ABSTRACT The new generation of wide-field time-domain surveys has made it feasible to study the clustering of supernova (SN) host galaxies in the large-scale structure (LSS) for the first time. We investigate the LSS environment of SN populations, using 106 dark matter density realisations with a resolution of ∼3.8 Mpc, constrained by the 2M+ + galaxy survey. We limit our analysis to redshift z < 0.036, using samples of 498 thermonuclear and 782 core-collapse SNe from the Zwicky Transient Facility’s Bright Transient Survey and Census of the Local Universe catalogues. We detect clustering of SNe with high significance; the observed clustering of the two SNe populations is consistent with each other. Further, the clustering of SN hosts is consistent with that of the Sloan Digital Sky Survey (SDSS) Baryon Oscillation Spectroscopic Survey DR12 spectroscopic galaxy sample in the same redshift range. Using a tidal shear classifier, we classify the LSS into voids, sheets, filaments, and knots. We find that both SNe and SDSS galaxies are predominantly found in sheets and filaments. SNe are significantly under-represented in voids and over-represented in knots compared to the volume fraction in these structures. This work opens the potential for using forthcoming wide-field deep SN surveys as a complementary LSS probe.

Astronomy & Astrophysics↗

From Failure to Insight: Analyzing Disk Breakdowns in Large-Scale HPC Environments

Disk failure data provides valuable insights for preventing failures, enhancing storage robustness, guiding system design and deployment, and ensuring reliable operations at data centers. This paper introduces two disk failure datasets collected from large-scale HPC production environments over the past five years, comprising over 5,000 failure records from more than 40,000 disks. We analyzed these datasets across multiple dimensions, including temporal, spatial, and relational trends, and performed a comprehensive reliability assessment. Our analysis yielded numerous observations and insights that influence various operational aspects of HPC storage systems. We believe this study offers a holistic understanding of disk failure trends likely to interest the HPC storage community.

George, Anjus↗

Thermal-Hydrological-Mechanical Modelling of Stockton University Reservoir Cooling System, Large Scale Grid

Mesh, properties, initial conditions, injection/withdrawal rates for modeling thermal, hydrological, and mechanical effects of fluid injection to and withdrawal from ground for Stockton University reservoir cooling system (aquifer storage cooling system), Galloway, New Jersey, on large scale grid, with some results. First simulation of J.T. Smith, E. Sonnenthal, P. Dobson, P. Nico, and M. Worthington, 2021. Thermal-hydrological-mechanical modeling of Stockton University reservoir cooling system, Proceedings of the 46th Workshop on Geothermal Reservoir Engineering, Stanford University, SGP-TR-218, from which Figures 1-5 pertain.

15 GEOTHERMAL ENERGY↗

Demonstrating the Value of 3D Models to Support Large-Scale Digital Modifications at Nuclear Power Plants

Many Nuclear Power Plants are currently in the process of extending their operating licenses for continued generation. The use of three-dimensional (3D) modeling in the early stages of large scale NPP modernization efforts is one lower cost method that can verify proposed design changes against established guidelines and allows for visual presentation of the 3D model to various stakeholders in the project. Guidance from Nuclear Regulatory Commission NUREG 0711 and 0700, and other sources on performing HF/E for control rooms and design modifications can be visually represented in 3D models. Distance and measurements, workstation design, anthropometric considerations, and early feedback of modifications are used in 3D models to identify potential human issues early in the design process. 3D modeling is a useful tool for early design and help to reduce costs and present visuals to stakeholders early in the design.

3D Models↗

Wind-tunnel investigation of aerodynamic performance, steady amd vibratory loads, surface temperatures, and acoustic characteristics of a large-scale twin-engine upper-surface blown jet-flap configuration

Static and wind-on tests were conducted to determine the aerodynamic characteristics of and the effects of jet impingement on the wing of a large scale upper surface blown configuration powered with an actual turbine engine. The wing and flaps were instrumented with experimental dual-sensing transducer units consisting of a fluctuating pressure gage, a vibratory accelerometer, and a surface mounted alumel thermocouple. Noise directivity and spectral content measurements were obtained for various flap configurations and various engine thrust settings to provide baseline noise data for other upper surface blown configurations.

Source record↗

The large scale microelectronics Computer-Aided Design and Test (CADAT) system

The CADAT system consists of a number of computer programs written in FORTRAN that provide the capability to simulate, lay out, analyze, and create the artwork for large scale microelectronics. The function of each software component of the system is described with references to specific documentation for each software component.

Gould, J. M.↗

Large-scale magnetic fields in spiral galaxies

The optical polarization vectors which measurements have shown to be parallel to the pronounced dark lanes of such galaxies as NGC 5128 and 4590 are interpreted as the consequence of a large scale, systematic field parallel to the dark lane that leads to the alignment of the grains. It is suggested that such polarization may also be produced by scattering off grains concentrated in the dark lane. It is recommended that there be further observational tests of the hypothesis that the observed polarization indicates the magnetic field in the galaxy.

Jura, M.↗

DE-2 photoelectron measurements consistent with a large scale parallel electric field over the polar cap

Winningham and Heikkila (1974) presented observations of various polar cap particle morphologies. They interpreted observations of 'anomalous' photoelectron angular distribution over the polar caps to be indicative of a large scale, outwardly directed, parallel electric field over the polar cap. The parallel field was observed to be spatially and/or temporarily variable. However, results obtained by Winningham and Heikkila have one weakness, which is related to the lack of simultaneous observations at many pitch angles. The present investigation is, therefore, concerned with the presentation of results from Dynamics Explorer 2 (DE-2) which confirm the experimental results of Winningham and Heikkila. It is concluded that the earth's polar caps act much like any conductor immersed in a plasma and illuminated by sunlight. DE-1 and DE-2 would then represent tiny point probes examining the internal details in the sheath region of the polar cap.

Winningham, J. D.↗

State-of-the-Art Techniques for Large-Scale Stochastic Unit Commitment

Recent advances in deterministic unit commitment, both formulaic and algorithmic, along with modern algorithmic approaches for stochastic programming, have enabled the solution of stochastic unit commitment problems with hundreds of scenarios on large-scale transmission networks. In this presentation, we will give an overview of these methods, including lazy transmission constraint generation, lower-bounding techniques, and heuristics, all of which can be executed in concert with customized decomposition approaches for optimization under uncertainty. We demonstrate the effectiveness of these techniques on the TAMU Texas7K synthetic transmission network, leveraging realistic high-resolution forecasts based on NREL renewable resource availability data. The software leveraged for these demonstrations is available via the open-source software packages EGRET (for electrical grid optimization) and mpi-sppy (for optimization under uncertainty).

27 ARPA - Advanced Research Projects Agency-Energy↗

Combining Spectroscopic and Imaging Galaxy Surveys for Improved Measurements of Large-Scale Structure

Galaxy imaging surveys represent a promising opportunity for testing cosmological models but suffer from significant challenges associated with galaxy redshift uncertainty. I present improved techniques for the use of spectroscopic redshifts for measurements of large-scale structure with galaxy imaging surveys. I additionally present the results of the application of these techniques to data from the Sloan Digital Sky Survey (SDSS) and the Dark Energy Survey (DES). The results of my work are photometric redshift measurements of the approximately 100 million galaxies comprising the the DES Year 3 Weak Lensing Source Galaxy Catalog, constraints on parameters of the Lambda-CDM cosmological model based on the gravitational lensing and clustering of the DES Year 3 source and lens galaxy catalogs, an algorithm for propagating uncertainties measured in simulations to analogous measurements on data, and measurements of the incidence of projection effects in optically detected clusters of galaxies. I argue that continued development of the methods I have worked on is a promising path toward a conclusive test of Lambda-CDM with galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Large-scale parametric modeling of spent nuclear fuel dynamics in the 30 cm package drop scenario

Packages used to transport spent nuclear fuel (SNF) are required by the U.S. Code of Federal Regulations 10 CFR 71.71 to demonstrate satisfactory performance during a drop scenario. While the CFR is meant to ensure safe package function, it does not evaluate survival of the SNF within. The U.S. Department of Energy Spent Fuel and Waste Science and Technology program is working on closing the knowledge gap related to the response of SNF to external mechanical loads, including the hypothetical 30 cm package drop scenario in the CFR. In support of this effort, LS-DYNA finite element simulations were developed by Pacific Northwest National Laboratory (PNNL) to model generic drop scenarios at both the package and fuel assembly level. The models were validated against one-third scale package and full scale fuel assembly drop test data and were exercised to predict fuel cladding strains in a narrow range of model configurations. This work describes a large-scale parametric study conducted by PNNL using the previously developed and validated PWR finite element model, with the addition of a new generic BWR assembly model. The motivation for the parametric study was to characterize the broad range of SNF responses in the 30 cm package drop scenario. This was accomplished by varying the drop orientation, fuel assembly type (17x17 PWR and 10x10 BWR), burnup, cladding temperature, spacer grid buckling load, package mass, impact limiter stiffness, and mechanical gap conditions within the basket. A MATLAB framework was developed to automate LS-DYNA model generation and execution on PNNL institutional computing resources. In total, over 2000 simulations were performed. For each simulation, the SNF response was quantified in terms of permanent grid deformation, fuel rod contact pressure, and strains within the fuel rods, guide tubes, and water rods. The results provide valuable insight into the range of responses that could be reasonably expected from SNF in the hypothetical drop scenario, as well as the sensitivity to each input parameter. The results of this parametric study are a key component of the testing and modeling strategy the Spent Fuel and Waste Science and Technology program is using to close the external loads knowledge gap.

Kadooka, Kevin↗

Linking large-scale circulation patterns to low-cloud properties

Abstract. The North Pacific High (NPH) is a fundamental meteorological feature present during the boreal warm season. Marine boundary layer (MBL) clouds, which are persistent in this oceanic region, are influenced directly by the NPH. In this study, we combine 11 years of reanalysis and an unsupervised machine learning technique to examine the gamut of 850 hPa synoptic-scale circulation patterns. This approach reveals two distinguishable regimes – a dominant NPH setup and a land-falling cyclone – and in between a spectrum of large-scale patterns. We then use satellite retrievals to elucidate for the first time the explicit dependence of MBL cloud properties (namely cloud droplet number concentration, liquid water path, and shortwave cloud radiative effect – CRESW) on 850 hPa circulation patterns over the northeast Pacific Ocean. We find that CRESW spans from −146.8 to −115.5 W m−2, indicating that the range of observed MBL cloud properties must be accounted for in global and regional climate models. Our results demonstrate the value of combining reanalysis and satellite retrievals to help clarify the relationship between synoptic-scale dynamics and cloud physics.

54 ENVIRONMENTAL SCIENCES↗