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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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At least 469 records · Page 26

An evaluation of the CORAL interconnects

The US Department of Energy deployed the Summit and Sierra supercomputers with the latest state-of-the-art network interconnect technology in 2018 and both systems entered production in 2019. In this paper, we provide an in-depth assessment of the systems' network interconnects that are based on Enhanced Data Rate (EDR) 100 Gb/s Mellanox InfiniBand. Both systems use second-generation EDR Host Channel Adapters (HCAs) and switches with several new features such as Adaptive Routing (AR), switch-based collectives, and HCA-based tag matching. Although based on the same components, Summit's network is "non-blocking" (i.e., a fully provisioned Clos network) and Sierra's network has a 2:1 taper between the racks and aggregation switches. We evaluate the two systems' interconnects using traditional communication benchmarks as well as production applications. We find that the new Adaptive Routing dramatically improves performance but the other new features still need improvement.

Zimmer, Christopher↗

Verification of MCNP5-1.60 and MCNP6.1 for Criticality Safety Applications

To verify that both MCNP5-1.60 and MCNP6.1 are performing correctly for criticality safety applications, several suites of verification/validation benchmark problems were run in early 2013. Results from these benchmark suites were compared with results from previously verified versions of MCNP5.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sensitivity-Uncertainty Based Nuclear Criticality Safety Validation

These are slides from a seminar given to the University of Mexico Nuclear Engineering Department. Whisper is a statistical analysis package developed to support nuclear criticality safety validation. It uses the sensitivity profile data for an application as computed by MCNP6 along with covariance files for the nuclear data to determine a baseline upper-subcritical-limit for the application. Whisper and its associated benchmark files are developed and maintained as part of MCNP6, and will be distributed with all future releases of MCNP6. Although sensitivity-uncertainty methods for NCS validation have been under development for 20 years, continuous-energy Monte Carlo codes such as MCNP could not determine the required adjoint-weighted tallies for sensitivity profiles. The recent introduction of the iterated fission probability method into MCNP led to the rapid development of sensitivity analysis capabilities for MCNP6 and the development of Whisper. Sensitivity-uncertainty based methods represent the future for NCS validation – making full use of today’s computer power to codify past approaches based largely on expert judgment. Validation results are defensible, auditable, and repeatable as needed with different assumptions and process models. The new methods can supplement, support, and extend traditional validation approaches.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Idaho National Laboratory Team Visits NCERC

The DOE/NRC Criticality Safety for Commercial-Scale High-Assay Low-Enriched Uranium (HALEU) for Fuel Cycle and Transportation (DNCSH) initiative is a collaboration between the Department of Energy and the Nuclear Regulatory Commission focused on criticality safety benchmarking for processing and transportation applications related to HALEU and Advanced Reactors. The project includes design, siting and construction of a horizontal split table (HST), which has long been recognized as a need for validating advanced reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Marshall Space Flight Center CFD overview

Computational Fluid Dynamics (CFD) activities at Marshall Space Flight Center (MSFC) have been focused on hardware specific and research applications with strong emphasis upon benchmark validation. The purpose here is to provide insight into the MSFC CFD related goals, objectives, current hardware related CFD activities, propulsion CFD research efforts and validation program, future near-term CFD hardware related programs, and CFD expectations. The current hardware programs where CFD has been successfully applied are the Space Shuttle Main Engines (SSME), Alternate Turbopump Development (ATD), and Aeroassist Flight Experiment (AFE). For the future near-term CFD hardware related activities, plans are being developed that address the implementation of CFD into the early design stages of the Space Transportation Main Engine (STME), Space Transportation Booster Engine (STBE), and the Environmental Control and Life Support System (ECLSS) for the Space Station. Finally, CFD expectations in the design environment will be delineated.

Schutzenhofer, Luke A.↗

Supercomputing '91; Proceedings of the 4th Annual Conference on High Performance Computing, Albuquerque, NM, Nov. 18-22, 1991

Various papers on supercomputing are presented. The general topics addressed include: program analysis/data dependence, memory access, distributed memory code generation, numerical algorithms, supercomputer benchmarks, latency tolerance, parallel programming, applications, processor design, networks, performance tools, mapping and scheduling, characterization affecting performance, parallelism packaging, computing climate change, combinatorial algorithms, hardware and software performance issues, system issues. (No individual items are abstracted in this volume)

Source record↗

A Numerical Simulator for Three-Dimensional Flows Through Vibrating Blade Rows

The three-dimensional, multi-stage, unsteady, turbomachinery analysis, TURBO, has been extended to predict the aeroelastic and aeroacoustic response behaviors of a single blade row operating within a cylindrical annular duct. In particular, a blade vibration capability has been incorporated so that the TURBO analysis can be applied over a solution domain that deforms with a vibratory blade motion. Also, unsteady far-field conditions have been implemented to render the computational boundaries at inlet and exit transparent to outgoing unsteady disturbances. The modified TURBO analysis is applied herein to predict unsteady subsonic and transonic flows. The intent is to partially validate this nonlinear analysis for blade flutter applications, via numerical results for benchmark unsteady flows, and to demonstrate the analysis for a realistic fan rotor. For these purposes, we have considered unsteady subsonic flows through a 3D version of the 10th Standard Cascade, and unsteady transonic flows through the first stage rotor of the NASA Lewis, Rotor 67, two-stage fan.

Chuang, H. Andrew↗

Automatic Generation of Directive-Based Parallel Programs for Shared Memory Parallel Systems

The shared-memory programming model is a very effective way to achieve parallelism on shared memory parallel computers. As great progress was made in hardware and software technologies, performance of parallel programs with compiler directives has demonstrated large improvement. The introduction of OpenMP directives, the industrial standard for shared-memory programming, has minimized the issue of portability. Due to its ease of programming and its good performance, the technique has become very popular. In this study, we have extended CAPTools, a computer-aided parallelization toolkit, to automatically generate directive-based, OpenMP, parallel programs. We outline techniques used in the implementation of the tool and present test results on the NAS parallel benchmarks and ARC3D, a CFD application. This work demonstrates the great potential of using computer-aided tools to quickly port parallel programs and also achieve good performance.

Jin, Hao-Qiang↗

Convective Melting of Particles in Flow Under Microgravity Conditions

Study of melting of dispersed or packed solid particles in a fluid under gravity and microgravity conditions provides benchmark information for many engineering applications such as material processing, environmental assessment and protection and space fire protection. During such processes, packed or dispersed solid particles are interacting with fluid flow at above-melting temperatures. By unmasking the buoyancy effects in coupled flow, phase change and heat transport phenomena, a better understanding of melting rate in non-thermal equilibrium, convective conditions can be studied. A series of flight experiments were conducted onboard the NASA KC-135 Microgravity Research Airplane. The Particle Melting in Plow (PMF) module was designed to allow flow through the initially packed ice particles at controlled temperature and velocity. To achieve this, a close-loop flow system was designed. Video images were taken to record the visualization of the melting process, from which a time variation of packed particle thickness distribution at different times can be obtained by the image analysis method. The fluid temperature distribution within the melting zone is measured by thermocouples. An infrared camera was mounted from the top of the test section to record the ice-water thermal images at a given location. The results from thermal images yield local temperature variation between melting solid and liquid and local Stephan number. Typical results for a number of cases are presented. The mathematical model, describing mass, energy, and momentum balance equations for the liquid and solid phases, is presented. It is found that melting rate is influenced mainly by the ratio of Reynolds number (based on the initial particle diameter) to the Froud number, and Stephan number. At the absence of gravity, Froud number approaches zero, Reynolds number and Stephan number become dominant factors governing the melting rate. The numerically determined results are compared with the experimental ones. It is found that the discrepancy between the predicted and measured melting rate is largely due to the inaccuracy in the constitutive equations for effective thermal physical properties, such as effective thermal conductivity and diffusivity, and transport properties, such as particle interaction coefficient, and local heat transfer coefficient of particles.

Stewart, C.↗

Automatic Multilevel Parallelization Using OpenMP

In this paper we describe the extension of the CAPO (CAPtools (Computer Aided Parallelization Toolkit) OpenMP) parallelization support tool to support multilevel parallelism based on OpenMP directives. CAPO generates OpenMP directives with extensions supported by the NanosCompiler to allow for directive nesting and definition of thread groups. We report some results for several benchmark codes and one full application that have been parallelized using our system.

Jin, Hao-Qiang↗

Automatic Multilevel Parallelization Using OpenMP

In this paper we describe the extension of the CAPO parallelization support tool to support multilevel parallelism based on OpenMP directives. CAPO generates OpenMP directives with extensions supported by the NanosCompiler to allow for directive nesting and definition of thread groups. We report first results for several benchmark codes and one full application that have been parallelized using our system.

Jin, Hao-Qiang↗

Lunar Natural Environment for use by the Constellation Program

The Lunar Environments used by the Constellation Program are embodied in two documents, the NEDD (Natural Environments Definition for Design) and the DSNE (Design Specification for Natural Environments). Recently, the lunar environments for the NEDD have been defined and incorporated in the document, as the result of contributions from experts in all areas of lunar environments. The purpose of the NEDD is to provide a uniform description of the natural environment to serve as a basic framework for both the crewed and robotic missions of the Exploration Systems Mission Directorate (ESMD). It is intended to support engineering and analysis, requirements development, and verification involved in the development of exploration concepts and architectures, flight hardware, and new technologies. (It does not support the operational phases of the Program since models and data with different properties are needed for those applications.) By presenting a single benchmark definition of natural environment parameters it provides an easily accessible and uniform baseline for competitive studies, independent analyses, and concept studies.

Ferguson, Dale C.↗

Phase Transitions in Planning Problems: Design and Analysis of Parameterized Families of Hard Planning Problems

There are two common ways to evaluate algorithms: performance on benchmark problems derived from real applications and analysis of performance on parametrized families of problems. The two approaches complement each other, each having its advantages and disadvantages. The planning community has concentrated on the first approach, with few ways of generating parametrized families of hard problems known prior to this work. Our group's main interest is in comparing approaches to solving planning problems using a novel type of computational device - a quantum annealer - to existing state-of-the-art planning algorithms. Because only small-scale quantum annealers are available, we must compare on small problem sizes. Small problems are primarily useful for comparison only if they are instances of parametrized families of problems for which scaling analysis can be done. In this technical report, we discuss our approach to the generation of hard planning problems from classes of well-studied NP-complete problems that map naturally to planning problems or to aspects of planning problems that many practical planning problems share. These problem classes exhibit a phase transition between easy-to-solve and easy-to-show-unsolvable planning problems. The parametrized families of hard planning problems lie at the phase transition. The exponential scaling of hardness with problem size is apparent in these families even at very small problem sizes, thus enabling us to characterize even very small problems as hard. The families we developed will prove generally useful to the planning community in analyzing the performance of planning algorithms, providing a complementary approach to existing evaluation methods. We illustrate the hardness of these problems and their scaling with results on four state-of-the-art planners, observing significant differences between these planners on these problem families. Finally, we describe two general, and quite different, mappings of planning problems to QUBOs, the form of input required for a quantum annealing machine such as the D-Wave II.

Problems↗

Uncertainty Analyses for Localized Tallies in Monte Carlo Eigenvalue Calculations

It is well known that statistical estimates obtained from Monte Carlo criticality simulations can be adversely affected by cycle-to-cycle correlations in the fission source. In addition, there are several other more fundamental issues that may lead to errors in Monte Carlo results. These factors can have a significant impact on the calculated eigenvalue, localized tally means and their associated standard deviations. In fact, modern Monte Carlo computational tools may generate standard deviation estimates that are a factor of five or more lower than the true standard deviation for a particular tally due to the inter-cycle correlations in the fission source. The magnitude of this under-prediction can climb as high as one hundred when combined with an ill-converged fission source or poor sampling techniques. Since Monte Carlo methods are widely used in reactor analysis (as a benchmarking tool) and criticality safety applications, an in-depth understanding of the effects of these issues must be developed in order to support the practical use of Monte Carlo software packages. A rigorous statistical analysis of localized tally results in eigenvalue calculations is presented using the SCALE/KENO-VI and MCNP Monte Carlo codes. The purpose of this analysis is to investigate the under-prediction in the uncertainty and its sensitivity to problem characteristics and calculational parameters, and to provide a comparative study between the two codes with respect to this under-prediction. It is shown herein that adequate source convergence along with proper specification of Monte Carlo parameters can reduce the magnitude of under-prediction in the uncertainty to reasonable levels; below a factor of 2 when inter-cycle correlations in the fission source are not a significant factor. In addition, through the use of a modified sampling procedure, the effects of inter-cycle correlations on both the mean value and standard deviation estimates can be isolated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improved Verification and Validation Testing and Tools including Nuclear Criticality Safety Applications with the MCNP6.3® Code [Abstract]

A new Python-based framework has been developed to enable a more consistent layout with automatable setup, execution, and documentation of all verification and validation (V&V) test suites previously established for use with the MCNP code. In this paper, the new general framework for the V&V test suites is discussed, including information on all of the current capabilities and plans for future capabilities. For nuclear criticality safety applications, the existing V&V benchmark problems within the criticality, extended criticality, and analytic k-effective test suites have been ported into this new framework. In addition, the status and updates to the Rossi-alpha and subcritical multiplicationtest suites will be discussed. Some V&V results exercising new MCNP6.3 capabilities will be demonstrated.

97 MATHEMATICS AND COMPUTING↗

Modeling hydraulic fracture opening and closure with proppant transport and settlement

Hydraulic fracturing is a widely used reservoir stimulation technique for improving fluid circulation in rock formations with extremely low permeability, particularly in enhanced geothermal systems (EGS). To better understand the complex processes involved and improve hydraulic stimulation performance, we have developed ELK (ELectrical fracKing), a MOOSE-based 3D finite element application designed to model the behavior of proppant-fluid mixtures in propagating fractures. ELK integrates both the fluid and proppant components, incorporating particle-driven processes such as gravity settling, particle-particle interactions, and strong density and viscosity contracts, in addition to conventional fluid-driven fracture propagation. In this contribution, we extend ELK to model propped fracture closure, which occurs after the injection phase due to a dramatic drop in the effective stress on the fracture plane. During the shut-in, flowback, and production periods, the fracture width decreases, with the closure behavior depending on proppant concentration.. At low concentrations, closure follows a nonlinear joint law linked to the stiffness of asperities in the fracture walls. While at high concentrations, it is controlled by the properties of packed proppant bed. The extended ELK application is validated against several benchmark examples, including the propagation of an inclined frictional crack, fracture opening and sliding in response to fluid injection, and flowback analysis. We believe that ELK’s enhanced capabilities can serve as a valuable tool for the design and optimization of EGS deployment.

15 - GEOTHERMAL ENERGY↗

An MLCommons Scientific Benchmarks Ontology

Scientific machine learning research spans diverse domains and data modalities, yet existing benchmark efforts remain siloed and lack standardization. This makes novel and transformative applications of machine learning to critical scientific use-cases more fragmented and less clear in pathways to impact. This paper introduces an ontology for scientific benchmarking developed through a unified, community-driven effort that extends the MLCommons ecosystem to cover physics, chemistry, materials science, biology, climate science, and more. Building on prior initiatives such as XAI-BENCH, FastML Science Benchmarks, PDEBench, and the SciMLBench framework, our effort consolidates a large set of disparate benchmarks and frameworks into a single taxonomy of scientific, application, and system-level benchmarks. New benchmarks can be added through an open submission workflow coordinated by the MLCommons Science Working Group and evaluated against a six-category rating rubric that promotes and identifies high-quality benchmarks, enabling stakeholders to select benchmarks that meet their specific needs. The architecture is extensible, supporting future scientific and AI/ML motifs, and we discuss methods for identifying emerging computing patterns for unique scientific workloads. The MLCommons Science Benchmarks Ontology provides a standardized, scalable foundation for reproducible, cross-domain benchmarking in scientific machine learning. A companion webpage for this work has also been developed as the effort evolves: https://mlcommons-science.github.io/benchmark/

Hawks, Ben [Fermilab] (ORCID:0000000157000288)↗

Geant4 Computing Performance Benchmarking and Monitoring

Performance evaluation and analysis of large scale computing applications is essential for optimal use of resources. As detector simulation is one of the most compute intensive tasks and Geant4 is the simulation toolkit most widely used in contemporary high energy physics (HEP) experiments, it is important to monitor Geant4 through its development cycle for changes in computing performance and to identify problems and opportunities for code improvements. All Geant4 development and public releases are being profiled with a set of applications that utilize different input event samples, physics parameters, and detector configurations. Results from multiple benchmarking runs are compared to previous public and development reference releases to monitor CPU and memory usage. Observed changes are evaluated and correlated with code modifications. Besides the full summary of call stack and memory footprint, a detailed call graph analysis is available to Geant4 developers for further analysis. The set of software tools used in the performance evaluation procedure, both in sequential and multi-threaded modes, include FAST, IgProf and Open|Speedshop. In conclusion, the scalability of the CPU time and memory performance in multi-threaded application is evaluated by measuring event throughput and memory gain as a function of the number of threads for selected event samples.

97 MATHEMATICS AND COMPUTING↗