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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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313 records · Page 18

Final Project Report: Composition and Realization of Source-to-Sink High-Performance Flows: File Systems, Storage, Hosts, LAN and WAN

A number of Department of Energy (DOE) science applications, involving exascale computing systems and large experimental facilities, are expected to generate large volumes of data, in the range of petabytes to exabytes, which will be transported over wide-area networks for the purpose of storage, visualization, and analysis. The objectives of this proposal are to (1) develop and test the component technologies and their synthesis methods to achieve source-to-sink high-performance flows, and (2) develop tools that provide these capabilities through simple interfaces to users and applications. In terms of the former, we propose to develop (1) optimization methods that align and transition multiple storage flows to multiple network flows on multicore, multibus hosts; and (2) edge and long-haul network path realization and maintenance using advanced provisioning methods including OSCARS and OpenFlow. We also propose synthesis methods that combine these individual technologies to compose high-performance flows using a collection of constituent storage-network flows, and realize them across the storage and local network connections as well as long-haul connections. We propose to develop automated user tools that profile the hosts, storage systems, and network connections; compose the source-to-sink complex flows; and set up and maintain the needed network connections.

97 MATHEMATICS AND COMPUTING↗

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗

STARlight: A Monte Carlo simulation program for ultra-peripheral collisions of relativistic ions

© 2016 Elsevier B.V. Ultra-peripheral collisions (UPCs) have been a significant source of study at RHIC and the LHC. In these collisions, the two colliding nuclei interact electromagnetically, via two-photon or photonuclear interactions, but not hadronically; they effectively miss each other. Photonuclear interactions produce vector meson states or more general photonuclear final states, while two-photon interactions can produce lepton or meson pairs, or single mesons. In these interactions, the collision geometry plays a major role. We present a program, STARlight, that calculates the cross-sections for a variety of UPC final states and also creates, via Monte Carlo simulation, events for use in determining detector efficiency. Program summary Program Title: STARlight (v2.2) Program Files doi: http://dx.doi.org/10.17632/xjpf4rxtbj.1 Licensing provisions: GNU GPLv3 Programming Language: C++ External Routines: PYTHIA 8.2 and DPMJET 3.0 are needed for some final states. Nature of problem: The cross-section for ultra-peripheral collisions is obtained by integrating the photon fluxes in transverse impact parameter space, subject to the requirement (which is also impact parameter dependent) that the colliding nuclei do not interact hadronically. The program is a two step process. First, it calculates the cross-sections for the reaction of interest, as a function of W (photon–Pomeron or two-photon center of mass energy), Y (final state rapidity) and pT (final state transverse momentum). Second, STARlight generates Monte Carlo events which can be used to determine cross-sections within specific kinematic constraints or for studies of detector efficiencies. The second step includes the decay of any unstable particles produced in the reaction, with appropriate consideration of particle spins and parity. It outputs these events in ASCII format. Solution method: The program generates a two dimensional look-up table of the production cross-section as a function of final state rapidity and mass. The dimensions of the table are selectable, allowing the user to choose the desired accuracy. For certain final states, a second two-dimensional look-up table, giving the transverse momentum distribution, as a function of rapidity, is also used. With these look-up tables, the program generates final states. Particle decays and the final angular distributions are calculated for each event. Restrictions: The program is focused on ultra-relativistic collisions at Brookhaven's RHIC (Relativistic Heavy Ion Collider) and CERN's LHC (Large Hadron Collider), with final states that are visible in a central detector. At lower energies (i.e., at the CERN SPS), caution should be exercised because STARlight does not account for the longitudinal momentum transfer to the nucleus; this is larger at low beam energies. References: http://starlight.hepforge.org and references in this article.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of Critical Experiments to Provide Validation Data for Multiphysics Coupling Methods (Final Report)

Computational simulation has become one of the most important tools in the modern toolbox for nuclear reactor design. Reactor simulations, like the reactors themselves, involve multiple physical processes including neutronics, fluid flow and heat transfer (thermal-hydraulics), thermo-mechanics, fuel behavior, chemistry, and balance of plant. Each process can affect the behavior of the others, and advanced computational tools have been developed that couple separate physics models together to simulate the feedback effects. The objective of this work is to generate experimental data to support the validation of multi-physics reactor codes. It specifically targets the SHARP toolset from the NEAMS Reactor Product Line, but it is intended to be useful in any set of coded that couples thermal-hydraulics with neutronics simulations. The project takes advantage of the inherent flexibility of the RPI Reactor Critical Facility (RCF), a low power open-pool research reactor. The standard configuration of the RCF is used to explore the effects of moderator temperature on neutronic behavior and reactivity. Because the low power of the reactor generates no appreciable temperature change in the moderator, the moderator temperature is artificially changed with two 18 kW electric immersion heaters. The temperature feedback effects can be observed by recording the change in the reactor power as the reactor goes from a supercritical state, to critical, to a subcritical state. To expand the temperature range and temperature rate of change that can be investigated, an experimental apparatus consisting of a heated water loop was designed and installed in the RCF. In this setup, water from a heated reservoir tank is pumped through a pipe placed through the center of the reactor core. The water in the reservoir can be heated to around 70 °C and pumped through the system. The pump has a variable flow rate and electronic control, so a number of scenarios can be developed. A slug of water can be pushed through the system to generate a reasonably fast change in reactivity. The pump speed can be increased or decreased over the course of a measurement, or even oscillated at different periods, to observe the response of the reactor. To complement the experimental data generated by the RCF, a set of computational models have been developed. They are intended to illustrate the usefulness of the experimental data generated in validating coupled multi-physics simulations. A model previously constructed in MCNP has been used in conjunction with safety analysis at the RCF for many years and was modified to support the design of the heated water loop experiment. This model was translated into Serpent 2, a similar Monte Carlo code, which provided the added advantage of being able to produce collapsed cross-section data files for use in the deterministic neutron transport codes that are part of the SHARP toolset. A complete reconstruction of the RCF model, both with and without the heated fluid loop experiment, were necessary for use with the SHARP codes, PROTEUS (neutronics) and Nek5000 (thermal hydraulics), as these require an unstructured mesh format to operate. The computational requirements for fully coupled three dimensional simulations are significant, and challenges to full implementation and comparison with RCF experiments remain. A wide variety of experiments have been conducted for eventual benchmarking and validation of multi-physics reactor codes. A complete database of detailed time- and temperature-dependent measurements have been generated and stored. Several examples of the experimental results are presented here, with refinement and analysis of experiments ongoing. While these experiments still only address a finite range of operating conditions, in particular being limited to water in the sub-boiling regime, they represent a unique (to date) look at the feedback between temperature and neutronic behavior suited for validation of the coupling routines in multi-physics codes. It is hoped that these will be the foundation of future benchmarks that will provide confidence in the tools that will be used to develop the next generation of nuclear reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

First Annual Report on Pulsed Thermal Tomography Nondestructive Evaluation of Additively Manufactured Reactor Materials and Components: Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components

Additive manufacturing (AM, or 3D printing) for commercial nuclear energy applications is an emerging method for cost-efficient manufacturing aimed at replacing aging nuclear reactor parts and reducing costs for new construction. Because of the geometry of metallic structures of interest for nuclear applications, which consist of planar primitives with no symmetry of revolution, limited options are available for nondestructive evaluation (NDE), either during or post manufacturing. Known material flaws in AM include low-density regions consisting of non-sintered powder, which have to be detected to ensure the safety of long-term performance nuclear reactor components. As a solution to NDE of AM, we are developing pulsed thermal tomography (PTT) models and depth inversion algorithms for 3D imaging. PTT has many advantages because the method is non-contact and allows for in-service, NDE of AM nuclear reactor parts. By analyzing transients of surface temperature response due to internal thermal resistances, one can obtain 3D reconstructions of material effusivity using a unique inversion algorithm developed at Argonne. This report provides results of preliminary performance evaluation of PTT capability in detection of flaws in metallic structures, as well imaging complex geometry AM structures. Performance of PTT was investigated through modeling and experiments, Computer models of PTT were developed using COMSOL Heat Transfer module. Defects were modeled as cylindrical flat bottom holes (FBH), which is a common model of calibrated material flaws in thermal tomography experiments. Materials considered in this study include stainless steel 316 (SS316), stainless steel 304 (SS304), and Inconel 718. Theoretical analyses were conducted to validate inversion of simulated PTT data with COMSOL for a plate. Subsequently, 3D reconstructions were performed on COMSOL simulations for FBH, revealing a decrease in spatial resolution over depth due to thermal diffusion. The results of this study show that the performance of the inversion algorithm for detecting smaller defects depends strongly on the depth of the defect as well as the incident heat flux. The size of detectable defect was estimated by fitting a Gaussian function to surface temperature profile. The criteria for detectability was taken as 20mK noise equivalent temperature difference (NETD), which is currently the sensitivity limit of high-performance infrared cameras. It was determined through computer simulations that the smallest detectable FBH in SS316 has a 50µm diameter and is located 0.5mm below the plate surface. Preliminary experimental studies were performed to evaluate PTT performance in detecting calibrated flaws using metallic specimens with AM defects simulated as drilled-in FBH’s. High strength Stainless Steel 316 and Inconel 718 alloys were considered, as well as lower grade Stainless Steel 304, Nickel 200, and Hastelloy C276. Specimens investigated in this report consisted of approximately 1/4in-thick plates made out of these alloys using conventional manufacturing methods. The diameters of FBH’s varied from 1mm to 8mm, and their depths below the plate flat surface varied between 1mm and 6mm. The size of the smallest FBH was limited to 1mm because conventional mechanical drills were used for creating the holes. PTT imaging results have shown that 1mm-diameter FBH located 1mm and 2mm below the surface were detectable. Larger size FBH were detectable at greater depth. For example, 6mm-diameter FBH could be detected at 8mm depth. Image contrast varied slightly between the specimens, with the best reconstructions obtained in SS316 and C276 plates. Finally, PTT capability in imaging several AM structures fabricated from Inconel 718 (IN718) powder feedstock was investigated. The AM structures have complex geometry, but do not have calibrated internal defects. The objective is to determine PTT settings, such as the total integration time, for imaging of representative AM structures. A new FLIR X8500sc IR camera with higher spatial resolution (1280x1024 at 181Hz frame rate) was integrated into the PTT laboratory setup. Software tools were developed to ensure compatibility of new camera files with legacy effusivity reconstruction codes. The new camera was used to obtain 3-D reconstructions of AM IN718 nozzle plate and a particle filter plate. It was shown that PTT can scan through 2/3in-thick Inconel 718 plates in approximately 15s. Several modes of 3-D data visualization were explored, including using ImageJ and MATLAB software packages. The results demonstrate the capability of PTT in 3-D imaging of complex geometry AM structures. Intermediate results demonstrated in this report will be developed further to investigate detection of flaws in AM specimens.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Estimating soil thermal inertia profiles from the passive equilibration of a temperature probe: Supporting data and code

This dataset contains measurements of soil thermal properties and organic layer thickness at three field sites on the Seward Peninsula near Nome, Alaska, USA. Code is also provided for estimation of soil thermal properties from temperature data, including a forward heat transfer mode, a library of simulated temperature data, and an inversion scheme to retrieve thermal properties from temperature measurements (Lamb et al., 2025). This dataset and code is published in support of the manuscript “Estimating Soil Thermal Inertia Profiles from the Passive Equilibration of a Temperature Probe” by Lamb et al., 2025, in which an experimental thermal measurements technique is developed. The dataset contains measurements of soil thermal properties and organic layer thickness obtained with an industry standard thermal properties analyzer and direct observations, as well as data generated using the experimental technique to estimate thermal properties and soil structure from temperature observations. All data is reported in .csv format, and all code is written in Python 3.7 using standard packages. This research was performed as a part of the NGEE Arctic project, which aims to advance model predictions of arctic carbon cycle responses to a changing climate over the 21st Century.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

EXCHANGE Campaign Degradation (ECD): Understanding Decomposition Dynamics Across Mid-Atlantic and Great Lakes Coastal Ecosystems

The EXploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) Degradation Experiment (EXCHANGE-D) is an in situ experiment designed to assess organic matter decomposition rates across coastal terrestrial-aquatic interfaces (TAIs), from coastal uplands through transition zones to wetlands. Through a network of partner scientists and coastal sites, we are testing how environmental gradients shape decomposition and carbon dynamics across terrestrial-aquatic interfaces. Using standardized tea bag substrates deployed across a network of diverse coastal sites, we compare decomposition rates at different fresh- and salt-water TAIs to develop transferable knowledge that improves the representation of organic matter degradation in coastal ecosystem models. For more information, please see https://compass.pnnl.gov/FME/EXCHANGE. This is Version 1 of the data package, which includes: ecd_README.pdf flmd.csv dd.csv ecd_soil_weom_L2.csv ecd_soil_ph_conductivity_L2.csv ecd_soil_gwc_L2.csv ecd_soil_teabag_degradation_L2.csv ecd_readme.pdf

coastal soils↗