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At least 1,099 records · Page 61

Detection of Coherent Structures in Extreme-Scale Simulations

The analysis of coherent structures is a common problem in many scientific domains ranging from astrophysics to combustion, fusion, and materials science. The data from three-dimensional simulations are analyzed to detect the structures, extract statistics on them, and track them over time to gain insights into the phenomenon being modeled. This analysis is typically done off-line, using data that have been written out by the simulations. However, the move towards extreme scale architectures, with multi-core processors and graphical processing units, will affect how such analysis is done as it is unlikely that the systems will support the I/O bandwidth required for off-line analysis. Moving the analysis in-situ is a solution only if we know a priori what analysis will be done, as well as the algorithms used and their parameter settings. Even then, we need to ensure that this will not substantially increase the memory requirements or the data movement as the former will be limited and the latter will be expensive. In the Exa-DM project, a collaboration between Lawrence Livermore National Laboratory and University of Minnesota, we are exploring ways in which we can address the conflicting demands of coherent structure analysis of simulation data and the architecture of modern parallel systems, while enabling scientific discovery at the exascale. In this paper, we describe our work in two areas: the in situ implementation of an existing algorithm for coherent structure analysis and the use of graph-based techniques to efficiently compress the data.

79 ASTRONOMY AND ASTROPHYSICS↗

Steam Condensation Scaled Experiment in the Presence of Non-condensable Gas for Reactor Containment Passive Safety Analysis

This study presents scaled experiments using steam condensation with non-condensable gas (NCG)—helium, simulating hydrogen—as these experiments are pivotal for water-cooled reactor passive containment cooling system (PCCS) design and analysis. Research into PCCSs for small modular reactors (SMRs) is especially important in light of SMR system design; however, studies in the literature reflect limitations due to test geometry and operational condition variations, without considering SMR prototypic design. To address these challenges, a scaled test facility was developed to accurately replicate SMR PCCSs. This facility includes vertical down-flow condensing test sections with 1-, 2-, and 4-in.-diameter condensing tubes, accompanied by annular water cooling. Experiments were conducted using both superheated and saturated steam, with steam mass flow rates varying from 55 to 66 kg/hr., in the presence of helium as the NCG mass flow rate ranges from 1.8 to 22 kg/hr. Test data were collected on (a) the axial temperatures of the annular cooling water; (b) the outer wall temperature of the condensers; and (c) the mass flow rate, temperature, and pressure at the test section inlets and outlets. These primary test data were used in conjunction with a standard data reduction methodology to estimate essential thermal parameters such as heat fluxes, heat transfer coefficients, and condensation rates. The effects of NCGs on steam condensation within the geometry of the scaled test sections were then presented in regard to various testing conditions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Presentation: Steam Condensation Scaled Experiment in the Presence of Non-condensable Gas for Reactor Containment Passive Safety Analysis

This study presents scaled experiments using steam condensation with non-condensable gas (NCG)—helium, simulating hydrogen—as these experiments are pivotal for water-cooled reactor passive containment cooling system (PCCS) design and analysis. Research into PCCSs for small modular reactors (SMRs) is especially important in light of SMR system design; however, studies in the literature reflect limitations due to test geometry and operational condition variations, without considering SMR prototypic design. To address these challenges, a scaled test facility was developed to accurately replicate SMR PCCSs. This facility includes vertical down-flow condensing test sections with 1-, 2-, and 4-in.-diameter condensing tubes, accompanied by annular water cooling. Experiments were conducted using both superheated and saturated steam, with steam mass flow rates varying from 55 to 66 kg/hr., in the presence of helium as the NCG mass flow rate ranges from 1.8 to 22 kg/hr. Test data were collected on (a) the axial temperatures of the annular cooling water; (b) the outer wall temperature of the condensers; and (c) the mass flow rate, temperature, and pressure at the test section inlets and outlets. These primary test data were used in conjunction with a standard data reduction methodology to estimate essential thermal parameters such as heat fluxes, heat transfer coefficients, and condensation rates. The effects of NCGs on steam condensation within the geometry of the scaled test sections were then presented in regard to various testing conditions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Scalable Parallel Hypergraph Generator (HyGen)

Graphs are extensively used to model real-world complex systems. An edge in a graph can model pairwise relationships. However, multiway relationships (connections between three or more vertices) are common in many complex systems such as cellular process, image segmentation, and circuit design. A graph edge cannot model multiway relationships. A hypergraph, which can connect more than two vertices, is thus a better option to model multiway relationships. A large-scale hypergraph analysis has the potential to find useful insights from a complex system and assist in knowledge discovery. Currently a limited number of hypergraphs exists that are representative of real-world datasets. Moreover, real-world hypergraph datasets are small in size and inadequate to incorporate future needs. A graph generator that can produce large-scale synthetic hypergraphs can solve the above mentioned problems. In this paper, we present a scalable parallel hypergraph generator (HyGen) based on the Message Passing Interface (MPI) standard. To generate hypergraphs, HyGen takes the following parameter values as inputs: i) number of vertices, ii) number of hyperedges, iii) number of clusters, iv) vertex distribution, v) hyperedge distribution, vi) local cluster cardinality, and vii) global cluster cardinality. We have demonstrated that HyGen can generate hypergraphs of various sizes in a scalable fashion. HyGen takes approximately four minutes to generate a hypergraph with 4.8 million vertices, 1.6 million hyperedges, and 800 clusters using 1,024 processes on a leadership class computing platform. Our strong and weak scaling experiments on supercomputers demonstrate that HyGen can quickly create large-scale hypergraphs in a parallel manner, thus providing a useful capability for hypergraph analysis.

Hasan, S M Shamimul↗

Heterogeneity or illusion? Track the carbon Kuznets curve of global residential building operations

Residential buildings, the “last mile” sector in the global decarbonization, have become the most significant uncertain factor hindering carbon neutrality with increasing household energy demand. To track the operational carbon in buildings, this study investigates the carbon Kuznets curve (CKC) and the corresponding decoupling status of residential building operations at four emission scales by using the data of 30 countries from 2000 to 2019. The results show that (1) the CKC model can fit more than half of the samples. Most curves have an inverted U-shape, with 76% of emission per household and 82% of total emissions. (2) In the presence of the CKC, over four-fifths of global residential buildings peak regardless of any emission scale. The analysis denotes that the carbon emissions of developed countries reach their peaks earlier. In the total emissions, the samples’ peaking proportion is 20% and 25% with income per capita < 20,000 United States dollars (USD) and 20,000–40,000 USD, respectively. (3) The Tapio decoupling analysis and the threshold regression effectively verify the robustness and the heterogeneity of CKCs, respectively. Strong decoupling effects of CKCs in most countries are demonstrated at the scales of emission per floor space and the total emissions, and the heterogeneity proves the classic inverted U-shaped relationship between economy and emissions doesn’t exist in all emitters. Overall, this study tracks the historical carbon emission trajectories of residential building operations at a global scale, providing reference for different economies to simulate the dynamic of building carbon emissions along with the economic booming.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The Quest for the Inflationary Spectral Runnings in the Presence of Systematic Errors

Cosmological inflation suggests that the scalar spectral index "runs" with scale. Constraints on the values of the spectral runnings, ${\alpha }_{s}\equiv {{dn}}_{s}/d\,\mathrm{ln}\,k$ and ${\beta }_{s}\equiv d{\alpha }_{s}/d\,\mathrm{ln}\,k$, therefore provide a fundamental test of the physics of inflation. In this work, we review the feasibility of measuring the runnings when information from upcoming large-volume galaxy surveys is used to supplement the information provided by a cosmic microwave background (CMB)-S4 experiment, particularly focusing on the effect of including high-k, nonlinear scales. Since these measurements will be sensitive to modeling uncertainties for the nonlinear power spectrum, we examine how three different ways of parameterizing those systematics—introducing zero, two, or several hundred nuisance parameters—affect constraints and protect against parameter biases. Considering statistical errors alone, we find that including strongly nonlinear scales can substantially tighten constraints. However, these constraints weaken to levels not much better than those from a CMB-S4 experiment alone when we limit our analysis to scales where estimates are not strongly affected by systematic biases. Given these considerations, near-future large-scale structure (LSS) surveys are unlikely to add much information to the CMB-S4 measurement of the first running α s . There is more potential for improvement for the second running, β s , for which LSS information will allow constraints to be improved by a factor of 3–4 relative to using the CMB alone. Though these limitations are still above the value predicted by slow-roll inflation, they do probe regions of parameter space relevant to nonstandard inflationary models with large runnings, for example, those that can generate an appreciable abundance of primordial black holes.

79 ASTRONOMY AND ASTROPHYSICS↗

Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS)

This will be licensed via RSICC. A new, integrated data and analysis system has been designed to simplify and automate the performance of accurate and efficient evaluations for characterizing the input to the overall nuclear waste management system -UNF-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS). A relational database within UNF-ST&DARDS provides a standard means by which UNF-ST&DARDS can succinctly store and retrieve modeling and simulation (M&S) parameters for specific spent nuclear fuel analysis. A library of various analysis model templates provides the ability to communicate the various set of M&S parameters to the most appropriate M&S application. Interactive visualization capabilities facilitate data analysis and results interpretation. UNF-ST&DARDS current analysis capabilities include (1) assembly-specific depletion and decay, (2) and spent nuclear fuel cask-specific criticality and shielding. Currently, UNF-ST&DARDS uses SCALE nuclear analysis code system for performing nuclear analysis.

Banerjee, Kaushik↗

Large scale nanoparticle screening for small molecule analysis in laser desorption ionization mass spectrometry

Nanoparticles (NPs) have been suggested as efficient matrixes for small molecule profiling and imaging by laser-desorption ionization mass spectrometry (LDI-MS), but so far there has been no systematic study comparing different NPs in the analysis of various classes of small molecules. Here, we present a large scale screening of 13 NPs for the analysis of two dozen small metabolite molecules. Many NPs showed much higher LDI efficiency than organic matrixes in positive mode and some NPs showed comparable efficiencies for selected analytes in negative mode. Our results suggest that a thermally driven desorption process is a key factor for metal oxide NPs, but chemical interactions are also very important, especially for other NPs. Furthermore, the screening results provide a useful guideline for the selection of NPs in the LDI-MS analysis of small molecules.

36 MATERIALS SCIENCE↗

Sleep-wake differences in scaling behavior of the human heartbeat: analysis of terrestrial and long-term space flight data

We compare scaling properties of the cardiac dynamics during sleep and wake periods for healthy individuals, cosmonauts during orbital flight, and subjects with severe heart disease. For all three groups, we find a greater degree of anticorrelation in the heartbeat fluctuations during sleep compared to wake periods. The sleep-wake difference in the scaling exponents for the three groups is comparable to the difference between healthy and diseased individuals. The observed scaling differences are not accounted for simply by different levels of activity, but appear related to intrinsic changes in the neuroautonomic control of the heartbeat.

Flight Experiment↗

Application of Spectral Analysis Techniques in the Intercomparison of Aerosol Data: 1. an EOF Approach to the Spatial-Temporal Variability of Aerosol Optical Depth Using Multiple Remote Sensing Data Sets

Many remote sensing techniques and passive sensors have been developed to measure global aerosol properties. While instantaneous comparisons between pixel-level data often reveal quantitative differences, here we use Empirical Orthogonal Function (EOF) analysis, also known as Principal Component Analysis, to demonstrate that satellite-derived aerosol optical depth (AOD) data sets exhibit essentially the same spatial and temporal variability and are thus suitable for large-scale studies. Analysis results show that the first four EOF modes of AOD account for the bulk of the variance and agree well across the four data sets used in this study (i.e., Aqua MODIS, Terra MODIS, MISR, and SeaWiFS). Only SeaWiFS data over land have slightly different EOF patterns. Globally, the first two EOF modes show annual cycles and are mainly related to Sahara dust in the northern hemisphere and biomass burning in the southern hemisphere, respectively. After removing the mean seasonal cycle from the data, major aerosol sources, including biomass burning in South America and dust in West Africa, are revealed in the dominant modes due to the different interannual variability of aerosol emissions. The enhancement of biomass burning associated with El Niño over Indonesia and central South America is also captured with the EOF technique.

variability↗

New approaches for metabolomics by mass spectrometry

Small molecules constitute a large part of the world around us, including fossil and some renewable energy sources. Solar energy harvested by plants and bacteria is converted into energy rich small molecules on a massive scale. Some of the worst contaminants of the environment and compounds of interest for national security also fall in the category of small molecules. The development of large scale metabolomic analysis methods lags behind the state of the art established for genomics and proteomics. This is commonly attributed to the diversity of molecular classes included in a metabolome. Unlike nucleic acids and proteins, metabolites do not have standard building blocks, and, as a result, their molecular properties exhibit a wide spectrum. This impedes the development of dedicated separation and spectroscopic methods. Mass spectrometry (MS) is a strong contender in the quest for a quantitative analytical tool with extensive metabolite coverage. Although various MS-based techniques are emerging for metabolomics, many of these approaches include extensive sample preparation that make large scale studies resource intensive and slow. New ionization methods are redefining the range of analytical problems that can be solved using MS. This project developed new approaches for the direct analysis of small molecules in unprocessed samples, as well as pushed the limits of ultratrace analysis in volume limited complex samples. The projects resulted in techniques that enabled metabolomics investigations with enhanced molecular coverage, as well as the study of cellular response to stimuli on a single cell level. Effectively individual cells became reaction vessels, where we followed the response of a complex biological system to external perturbation. We established two new analytical platforms for the direct study of metabolic changes in cells and tissues following external perturbation. For this purpose we developed a novel technique, laser ablation electrospray ionization (LAESI), for metabolite profiling of functioning cells and tissues. The technique was based on microscopic sampling of biological specimens by mid-infrared laser ablation followed by electrospray ionization of the plume and MS analysis. The two main shortcomings of this technique had been limited specificity due to the lack of a separation step, and limited molecular coverage, especially for nonpolar chemical species. To improve specificity and the coverage of the metabolome, we implemented the LAESI ion source on a mass spectrometer with ion mobility separation (IMS). In this system, the gas phase ions produced by the LAESI source were first sorted according to their collisional cross sections in a mobility cell. These separated ion packets were then subjected to MS analysis. By combining the atmospheric pressure ionization with IMS, we improved the metabolite coverage. Further enhancement of the non-polar metabolite coverage resulted from the combination of laser ablation with vacuum UV irradiation of the ablation plume. Our results indicated that this new ionization modality provided improved detection for neutral and non-polar compounds. Based on rapid progress in photonics, we had introduced another novel ion source that utilized the interaction of a laser pulse with silicon nanopost arrays (NAPA). In these nanophotonic ion sources, the structural features were commensurate with the wavelength of the laser light. The enhanced interaction resulted in high ion yields. This ultrasensitive analytical platform enabled the MS analysis of single yeast cells. We extended these NAPA studies from yeast to other microorganisms, including green algae (Chlamydomonas reinhardtii) that captured energy from sunlight on a massive scale. Combining cellular perturbations, e.g., through environmental changes, with the newly developed single cell analysis methods enabled us to follow dynamic changes induced in the cells. In effect, we were able to use individual cells as a “laboratory,” and approached the long-standing goal of establishing a “lab-in-a-cell.” Model systems for these studies included cells of cyanobacteria (Anabaena), yeast (Saccharomyces cerevisiae), green algae (C. reinhardtii) and Arabidopsis thaliana.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of HolosGen Sub-Scale Simulator with Plant Dynamics Code

The Subcritical Power Module Sub-scale Simulator (SPM-SS) has been designed and constructed by HolosGen LLC under the ARPA-E MEITNER program to simulate the thermal-hydraulic and heat transfer behavior of the full-scale Holos-Quad Subcritical Power Modules (SPMs). Four coupled SPMs, each rated at 5.5MW, form the Holos-Quad gas-cooled microreactor design. The SPM-SS represents a substantially scaled-down system with a power rating less than 40 kW, equipped with an electrically heated fuel cartridge heat exchanger, an electrically heated compressor heat exchanger, and a valve actuated turbine heat exchanger, in addition to a recuperator and a cooler heat exchanger. The fuel cartridge represents a portion of the full-scale SPM core, the compressor heat exchanger mimics the temperature changes resulting from the compressor’s turbomachinery inefficiencies, the turbine heat exchanger mimics the expansion process normally occurring through the turbine, while the recuperator and cooler heat exchangers complete the subscale simulator loop. The heaters equipping the fuel cartridge and the compressor heat exchangers are electronically controlled to simulate normal and off-normal SPM operating conditions. The full-scale Holos-Quad SPM design eliminates the traditional balance of plant and executes thermal-to-electric energy conversion by means of an intercooled Brayton cycle with decoupled compressor-turbine turbomachinery. The Holos-Quad full-scale design is equipped with a multi-stage axial Low- and High-Pressure compressor, and a multistage axial turbine. The SPM-SS is designed for testing and validation of selected components which are instead coupled by a traditional balance of plant. The SPMSS is not equipped with turbo-machinery (compressor and turbine) as the development of these components were excluded from the scope of work under the ARPA-E MEITNER funding program. The SPM-SS balance of plant enables modifications, replacement and testing of individual components with different working fluids and is designed to include the turbo-machinery components that will be developed in future research . The SPM-SS can be operated with different gases, variable mass-flow-rates, pressures, and temperatures to obtain test data for selected components, whose performance can be scaled to validate the computer model of the full-scale SPM at various conditions (e.g., start-up, transients conditions). The SPM-SS can operate at the maximum Holos-Quad design pressure of 7 MPa, and a maximum temperature limited to 650 °C by the electrical heaters. Several SPM-SS tests have been conducted and analyzed with the Plant Dynamics Code (PDC) developed at the Argonne National Laboratory (ANL). These tests aimed at validating the PDC modeled predictions of the full-scale Holos-Quad design with data from selected SPM-SS components. In order to address SPM-SS specific characteristics, such as components heat losses and absence of turbomachinery components, some modifications to the PDC have been implemented to factor the design differences from the full-scale Holos-Quad SPM to the SPM-SS. As the PDC offers capabilities to analyze systems with different working fluids, air, nitrogen, and helium were utilized as the SPM-SS working fluids. Air was utilized to fine-tune the SPM-SS Systems Structures and Components (SSCs), nitrogen was utilized to pressure test the SPM-SS loop at the SPMs design maximum pressure of 7MPa. Helium was utilized as the working fluid circulating through the SPM-SS SSCs for specific tests to validate the PDC predictions of the fuel cartridge heat exchanger. SPM-SS tests data were also analyzed with both the steady-state and transient analysis capabilities offered by the PDC. This report describes the PDC analysis of the SPM-SS tests data, including the necessary code modifications and comparison of the code results with the experimental data. Based on the results, a discussion is presented on how the analysis supports design and transient calculations of the full-scale Holos-Quad microreactor. Also based on the results of this work, recommendations are made for future optimizations of the SPM-SS components and PDC model development needs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Analytical and computational models of shells; Proceedings of the Symposium, ASME Winter Annual Meeting, San Francisco, CA, Dec. 10-15, 1989

Topics presented include asymptotic analysis and computation for shells, the edge effects in the Reissner-Mindlin plate theory, nonlinear problems of geometrically exact shell theories, and developments in variational methods for high performance plate and shell elements. Also presented are an assumed strain solid element model for geometrically nonlinear shell analysis, shell finite elements with six degrees of freedom per node, hierarchic plate and shell models based on p-extension, and a simple shell element formulation for large-scale elastoplastic analysis. Also discussed are the assessment of computational models for multilayered composite cylinders, shell models for impact analysis, analysis of shell structures subjected to contact-impacts, and the application of shell theory to cardiac mechanics.

Noor, Ahmed K.↗

Ceramic Membrane Solar Desal: Pilot System Design and Full-Scale System Techno-Economic Analysis (CRADA Final Report)

This work is conducted in support of the American Made Challenges Solar Prize. The current scope addresses the Design portion of the overall prize competition. This team, led by the University of Connecticut, will design a solar powered, pilot scale, ceramic-based membrane distillation system that can operate on high salinity waters and propose that design for construction in the Test phase of the Prize competition.

14 SOLAR ENERGY↗

Sensitivity Analysis of OECD ATLAS A5.1 Test using MARS-KS code

The ATLAS was designed to model a reduced-height primary system of a typical APR1400 which was developed by the Korean Nuclear Industry. The ATLAS has the 1/2-height, 1/144-area and 1/288-volume scales for the APR 1400 and it is scaled for full pressure and temperature conditions. A benchmark test, test A5.1, was performed to analyze and quantify the extent of scaling distortion in the ATLAS, as a part of a OECD-ATLAS project. The SB-CL-32 test which was conducted using the Large Scale Test Facility (LSTF) of the Rig-of-Safety Assessment-V (ROSA-V) Program was selected as the counterpart test to address the scaling issue. The detailed description of the LSTF test facility and the SB-CL-32 test can be found in the literature. The objective of the A5.1 test is to investigate the thermal hydraulic phenomena during cold leg small break LOCA with steam generator secondary side depressurization as the Accident Management action. In addition to that, the scaling effect analysis of ATLAS was performed in the several viewpoints. In this study, sensitivity analysis of A5.1 test was performed using MARS-KS code. Several experimental conditions of A5.1 test were varied to study effects on the reactor coolant system during the SBLOCA transient. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Preparatory meteorological modeling and theoretical analysis for a neighborhood-scale cool roof demonstration

Replacing dark conventional roofs with more reflective “cool” roofs has been proposed as a method to lower urban air temperatures. Many meteorological studies have simulated potential cool roof air temperature reductions. However, economic and logistical challenges make it difficult to perform the large-scale demonstrations needed to verify these model results. This work assesses whether a neighborhood-scale cool roof demonstration could yield an observable air temperature change. We use both an idealized theoretical framework and a meteorological model to estimate the air temperature reduction that could be induced by increasing roof albedo over ~ 1 km 2 area of a city. Both the idealized analysis and model indicate that an air temperature reduction could be detected, with the model indicating a reduction of 0.5 °C and the idealized analysis indicating a larger reduction of 1.3 °C. Follow-on modeling is recommended prior to design of a neighborhood-scale demonstration.

54 ENVIRONMENTAL SCIENCES↗

Impact experiments in low-temperature ice

Cubic and cylindrical water ice targets at 257 and 81 K have been subjected to impact velocities between 0.1 and 0.64 km/sec and impact energies of 10 to the 9th-10 to the 10th ergs, yielding craters that are 2-3 times larger than those obtained through equal energy impacts in basaltic targets. On the basis of a similarity analysis, general scaling laws are derived for strength-controlled crater formation and applied in a consideration of crater formation on the icy Galilean and Saturnian satellites. Surface ages are predicted by the analysis to appear greater than those for a silicate crust experiencing the same impact history, on the basis of icy crust impact crater statistics.

Lange, Manfred A.↗

MULTIFRACTAL STRUCTURES DETECTED BY VOYAGER 1 AT THE HELIOSPHERIC BOUNDARIES

To better understand the dynamics of turbulent systems, we have proposed a phenomenological model based on a generalized Cantor set with two rescaling and one weight parameters. In this Letter, using recent Voyager 1 magnetic field data, we extend our two-scale multifractal analysis further in the heliosheath beyond the heliospheric termination shock, and even now near the heliopause, when entering the interstellar medium for the first time in human history. We have identified the scaling inertial region for magnetized heliospheric plasma between the termination shock and the heliopause. We also show that the degree of multifractality decreases with the heliocentric distance and is still modulated by the phases of the solar cycle in the entire heliosphere including the heliosheath. Moreover, we observe the change of scaling toward a nonintermittent (nonmultifractal) behavior in the nearby interstellar medium, just beyond the heliopause. We argue that this loss of multifractal behavior could be a signature of the expected crossing of the heliopause by Voyager 2 in the near future. The results obtained demonstrate that our phenomenological multifractal model exhibits some properties of intermittent turbulence in the solar system plasmas, and we hope that it could shed light on universal characteristics of turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗