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At least 1,333 records · Page 74

Seascape Interface Control Document

This paper serves as the Interface Control Document (ICD) for the Seascape automated test harness developed at Sandia National Laboratories. The primary purposes of the Seascape system are: (1) provide a place for accruing large, curated, labeled data sets useful for developing and evaluating detection and classification algorithms (including, but not limited to, supervised machine learning applications) (2) provide an automated structure for specifying, running and generating reports on algorithm performance. Seascape uses GitLab, Nexus, Solr, and Banana, open source software, together with code written in the Python language, to automatically provision and configure computational nodes, queue up jobs to accomplish algorithms test runs against the stored data sets, gather the results and generate reports which are then stored in the Nexus artifact server.

97 MATHEMATICS AND COMPUTING↗

Biosequence-based approach to analyzing binaries

In a dynamic computing environment, it is a nontrivial task to verify code running in the environment because most approaches to software similarity require extensive and time-consuming analysis of a binary, or the approaches fail to recognize executables that are similar but nonidentical. A biosequence-based method for quantifying similarity of executable binaries is used to identify allowed codes in a real-world multi-user environment.

97 MATHEMATICS AND COMPUTING↗

FENIX: An Open-Source Multiphysics Integrated Framework Enabling Collaborative Development of Plasma Facing Component Modeling Capabilities

Advanced modeling and simulation tools have a crucial role to play in accelerating fusion energy deployment as a sustainable power source. Multiphysics, high-fidelity computational tools can help understand, model, and quantify the complex interactions between materials performance, plasma and neutron exposure, and engineering processes. As a result, they accelerate the design, safety analysis, and performance evaluation of fusion systems. This webinar introduces the Fusion ENergy Integrated multiphys-X (FENIX) framework, an open-source multiphysics tool for plasma facing component modeling. FENIX leverages the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which has been developed by the United States Department of Energy Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. FENIX couples various MOOSE capabilities such as heat transfer, thermomechanics, thermal hydraulics, electromagnetics, and plasma kinetics with the MOOSE-based applications Cardinal (neutronics) and TMAP8 (tritium transport). During the webinar, we will present FENIX and discuss how its modularity, openness, software quality assurance processes, and licensing approach supports effective collaborations, including public-private partnerships.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Early Application Results on Pre-exascale Architecture with Analysis of Performance Challenges and Projections (Milestone PM-AD-1080 WBS 2.2)

This Exascale Computing Project (ECP) Milestone Report summarizes the status of all 30 ECP Applications Development (AD) sub-projects at the end of FY19. In August and September of 2019, a comprehensive assessment of AD projects was conducted jointly by the ECP leadership and a team of external subject matter experts. Reviews took place in person over five days-two at the National Renewable Energy Laboratory and three at Argonne National Laboratory and the University of Chicago. The review committees were tasked with evaluating each sub-project's progress in porting their code(s) to current multi-GPU architectures considered precursors to planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such this report contains not only an accurate snapshot of each sub-project's current status, but also represents an unprecedentedly broad account of experiences porting large scientific applications to next-generation HPC architectures.

97 MATHEMATICS AND COMPUTING↗

Accomplishments of Sandia and Kitware CMake/CTest/CDash Contract for (FY2017-2020)

We describe the accomplishments jointly achieved by Kitware and Sandia over the fiscal years 2016 through 2020 to benefit the Advanced Scientific Computed (ASC) Advanced Technology Development and Mitigation (ATDM) project. As a result of our collaboration, we have improved the Trilinos and ATDM application developer experience by decreasing the time to build, making it easier to identify and resolve build and test defects, and addressing other issues . We have also reduced the turnaround time for continuous integration (CI) results. For example, the combined improvements likely cut the wall clock time to run automated builds of Trilinos posting to CDash by approximately 6x or more in many cases. We primarily achieved these benefits by contributing changes to the Kitware CMake/CTest/CDash suite of open source software development support tools. As a result, ASC developers can now spend more time improving code and less time chasing bugs. And, without this work, one can argue that the stabilization of Trilinos for the ATDM platforms would not have been feasible which would have had a large negative impact on an important internal FY20 L1 milestone.

97 MATHEMATICS AND COMPUTING↗

HL-LHC Analysis With ROOT: ROOT Project Input to the HL-LHC Computing Review (Stage 2)

ROOT is high energy physics' software for storing and mining data in a statistically sound way, to publish results with scientific graphics. It is evolving since 25 years, now providing the storage format for more than one exabyte of data; virtually all high energy physics experiments use ROOT. With another significant increase in the amount of data to be handled scheduled to arrive in 2027, ROOT is preparing for a massive upgrade of its core ingredients. As part of a review of crucial software for high energy physics, the ROOT team has documented its R&D plans for the coming years.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Spring 2023 Verification Presentation to Headquarters [Slides]

Testing codes is important, and more tests are needed. Verification testing is different than software-quality assurance, like regression suites. Tests should be simple, but not too simple, and tests should be code agnostic. Developing verification methods is still open research. Testing single-physics code pieces in isolation may lead to bad results when they are coupled. Good verification tests must include multiple physics models, multiple materials, and be performed in multiple dimensions.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Verification Manual (V.5.20)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Sierra/PMR handles the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Verification Manual – 5.18 Version

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

Beowulf v2.5.3 User Guide: Revision 5

This document is a user guide for the Beowulf (rebranding of Watchmen) tool. It describes how operators can access and utilize the application's functionality. Beowulf is a research software application developed by Pacific Northwest National Laboratory (PNNL) that incorporates the scientific and operational expertise for reviewing data from treaty monitoring radionuclide stations. These stations are part of a worldwide network to monitor for nuclear explosions, and the data they produce are critical to make the determination of whether a sample is from a nuclear explosion or some other source (i.e., nuclear reactor or medical isotope production facility). Stations deliver their measurements and system status to the International Monitoring System (IMS), which forwards it via email to all subscribers. Beowulf is capable of processing data from several radioxenon station types and development is in progress on a solution for particulate stations. Screening of data in Beowulf may be done by a number of different users such as radionuclide analysts, evaluators, and data quality experts. This guide is provided to assist those users in navigating the application. The term Beowulf is used generically throughout this document to refer to any of the various components in the software application. The user interface that is viewed with a web browser is the primary focus of this user guide. Other components include a database to store measurements and state of health (SOH) data; and the data loader that monitors incoming emails, parses the data, populates the database, does the initial analysis, and routes data for review.

97 MATHEMATICS AND COMPUTING↗

Improving Dose Modeling With Dynamic Modeling Tools [Slides]

Utilities aiming for higher fuel enrichment for power uprates or extended operation times before refueling must conduct a new dose analysis. Current conservative dose estimation standards may cause utilities to exceed regulatory limits for proposed increased fuel enrichment. A more accurate modeling of doses from reactor accidents can lower these conservative assumptions. Prescott et al. (2022) demonstrated that the Event Modeling Risk Assessment using Linked Diagrams (EMRALD) software tool, developed at Idaho National Laboratory (INL), can be coupled with the Modular Accident Analysis Program (MAAP5) for dynamic accident analysis in reactor plants. EMRALD forms models of potential accident scenarios, while MAAP5 simulates the accident progression and dose consequences. By integrating these software tools with utility-specific data, a more precise estimation of dose consequences from plant accidents can be achieved. Preliminary findings indicate that EMRALD provides accurate mean core damage frequencies for generalized accident scenarios. Future work includes expanding the model to account for plant-specific data and mitigation factors.

97 - MATHEMATICS AND COMPUTING↗

Adaptive Computing and Multi-Fidelity Strategies for Control, Design and Scale-Up of Renewable Energy Applications

We describe our ongoing research in adaptive computing and multi-fidelity modeling strategies. Our goal is to use a combination of low- and high-fidelity simulation models to enable computationally efficient optimization and uncertainty quantification. We develop optimization formulations that take into account the compute resources currently available, which act as a constraint with regards to the fidelity level simulation we can run while maximizing information gain. These strategies are being implemented into a software framework with a generalized API allowing its application to a broad range of applications, from power grid stability and buildings control to material synthesis and biofuels processing. We will discuss a few examples from these applications that can benefit from this approach, especially when considering challenges arising in scaling up experiments and simulations.

adaptive computing↗

A non-linear mathematical model for dynamic analysis of spur gears including shaft and bearing dynamics

A six-degree-of-freedom nonlinear semi-definite model with time varying mesh stiffness has been developed for the dynamic analysis of spur gears. The model includes a spur gear pair, two shafts, two inertias representing load and prime mover, and bearings. As the shaft and bearing dynamics have also been considered in the model, the effect of lateral-torsional vibration coupling on the dynamics of gears can be studied. In the nonlinear model developed several factors such as time varying mesh stiffness and damping, separation of teeth, backlash, single- and double-sided impacts, various gear errors and profile modifications have been considered. The dynamic response to internal excitation has been calculated by using the 'static transmission error method' developed. The software prepared (DYTEM) employs the digital simulation technique for the solution, and is capable of calculating dynamic tooth and mesh forces, dynamic factors for pinion and gear, dynamic transmission error, dynamic bearing forces and torsions of shafts. Numerical examples are given in order to demonstrate the effect of shaft and bearing dynamics on gear dynamics.

Ozguven, H. Nevzat↗

From the Knowledge-based Digital Platform (KbDP) Concept for Advanced Air Mobility Research to a Preliminary Prototype

Advanced Air Mobility (AAM) encompasses a range of innovative operational and technological changes to aviation (electric aircraft, increasingly automated aircraft, increasingly automated airspace operations, etc.) that are transforming aviation’s role in everyday movement of people and goods. There are multiple associated concepts and use cases for AAM, all interrelated, including small Unmanned Aircraft System (UAS) Traffic Management (UTM), Upper-Class E Traffic Management (ETM), Extensible Traffic Management (xTM), Regional Air Mobility (RAM), and Urban Air Mobility (UAM). These AAM operations must integrate with traditional Air Traffic Management (ATM) operations, as well as non-aviation modes of transportation and logistics. National Aeronautics and Space Administration (NASA) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of multi-modal transportation systems. The Knowledge-based Digital Platform (KbDP) is a concept being developed that ties the workflows of Project Managers (PM), Principal Investigators (PI), and System Engineers together across organizational boundaries. It does so through the management of an information database defined by mathematical, data science, and system engineering principles. Machine Learning (ML) algorithms play a key role in this concept by extracting meaningful knowledge from the information database, which the human user leverages to greatly improve the efficiency and effectiveness of their research. Expected benefits of this concept include improved technology transfers from research to production, improved research portfolio investments, and research outcomes that are more integrated with all aspects of the multi-modal transportation problem. The preliminary KbDP prototype has been realized using UAM as a pathfinder use case and developed by a team of system engineer, software developer, data scientist, and interns.

Systems Engineering↗

Research Software Engineering Efforts for DataFed: FY2021 Developments

DataFed is a scientific data management system for big data providing simple and uniform data access, organization, discovery, and sharing within and across scientific facilities - with the goals of enhancing productivity and scientific reproducibility. We hope to aid in communicating development contributions to DataFed over the last year and any planning we can provide for the future developments in the next year

42 ENGINEERING↗

Methodology for Thermodynamic Analysis Coupled with Computational Fluid Dynamics Modeling for Casting a Novel Aluminum–Cerium Alloy

In this paper, we present the results of computational fluid dynamics (CFD) analysis to assess castability, porosity, molten metal fluidity and other technological properties of a new Al-Ce alloy. A thermodynamic analysis of a new Al-Ce alloy is done to obtain the physical properties as a function of temperature across both solid and liquid phases. These properties are then used to build the CFD of model the full casting process from initial pouring through to final solidification of the part, here an example of a heavy duty mor mount is used. While several excellent commercial CFD codes exists this process shows that CFD can be used to assess the capability of the alloy to properly fill the mold, as well as give predictions where scattered porosity or large-scale defects may occur in the casting. Further, unlike the commercially available software (e.g., ProCAST, SOLIDCast , MAGMASOFT®) the complex 3D-analysis of the stress / strain fields in cast parts is not performed at this time. However, the availability of free software for assessing the required thermodynamic / thermo-physical properties of new alloys (OpenCALPHAD) and CFD codes such as OpenFOAM® makes the developed option attractive and economical, especially for the analysis of new Al-Ce alloys, for which the available data does not exist.

36 MATERIALS SCIENCE↗