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At least 1,639 records · Page 91

Leveraging AI for Productive and Trustworthy HPC Software: Challenges and Research Directions

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of software development. For its part, HPC software is recognized as a highly specialized scientific field of its own. We discuss the challenges associated with leveraging state-of-the-art AI technologies to develop such a unique and niche class of software and outline our research directions in the two US Department of Energy–funded projects for advancing HPC Software via AI: Ellora and Durban.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗

A Thermodynamic Model Toward the Comprehension of Ferrous Burden Softening and Melting Using FactSage Macro-Processing

The softening and melting properties of iron-bearing materials play a decisive role in the formation of the cohesive zone, which greatly affects blast furnace gas flow distribution and heat-transfer efficiency. To improve the understanding regarding the evolution of condensed phases during reduction, softening, and melting, a thermodynamic model has been developed using FactSage™ thermodynamic software and macro-processing. The model was constructed using a series of equilibrium stages and splitters to determine flow directions of streams and to consider kinetic inhibitions. For all iron-bearing materials studied, the methodology proposed for modeling was capable of obtaining reduction degrees in very good agreement to its experimental data. The evolution of solid phases was qualitatively comparable to the available literature, with Fayalite, Kirschsteinite, Melilite, and FeO as the main solid phases in equilibrium before slag formation. The comparison between the profiles of the calculated slag mass fraction and the experimental pressure drop showed a close relation between these properties. Moreover, the level of heterogeneity of each raw material may play a significant role in the interpretation of its results.

36 MATERIALS SCIENCE↗

Network Reduction Algorithm for Developing Distribution Feeders for Real-Time Simulators

As advanced grid-support functions (AGF) become more widely used in grid-connected photovoltaic (PV) inverters, utilities are increasingly interested in their impacts when implemented in the field. These effects can be understood by modeling feeders in real-time simulators and test PV inverters using power hardware-in-the-loop (PHIL) techniques. This paper presents a novel feeder model reduction algorithm using a ruin & reconstruct methodology that enables large feeders to be solved and operated on real-time computing platforms. Two Hawaiian Electric feeder models in Synergi Electric's load flow software were converted to reduced order models in OpenDSS, and subsequently implemented in the OPAL-RT real-time digital testing platform. Smart PV inverters were added to the realtime model with AGF responses modeled after characterizing commercially available hardware inverters. Finally, hardware inverters were tested in conjunction with the real-time model using PHIL techniques so that the effects of AGFs on the feeders could be analyzed.

14 SOLAR ENERGY↗

N2A

N2A includes an object-oriented language for modeling neural systems as well as a software tool for editing and simulating models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-2695 O

Rothganger, Frederick↗

Modeling Tree Foliage for Microwave Radar Transparency Study

The motivation for this report is to discuss and present some realistic tree models employed in computational electromagnetics (EM) simulations to study foliage penetration (FOPEN) at Ku-band. The detail obtained in these trees is unprecedented in FOPEN modeling since many studies in this area focus on lower frequencies where precise tree parameters are not required due to the associated large wavelengths relative to the tree dimensions. The focus of this study is in the Ku-band range where the wavelength is notably smaller and the details of the trees have more of an influence on EM waves (i.e. scattering, attenuating, reflecting, diffracting etc.). Therefore, explicit tree parameters are modeled. Also, moderate foliage is of most interest because with less dense foliage t here is a higher percentage of Ku-band transmission. The EM wave and foliage interaction s are simulated with the computational electromagnetics (CEM) Altair FEKO software. The realistic tree model s implemented for simulations are created in the computer-aided design (CAD) software Arbaro and the module CADFEKO that is offered in FEKO. Details of these tree models are provided, and EM simulation results will be discussed in a follow-on report

59 BASIC BIOLOGICAL SCIENCES↗

A new gravitational model for the earth from satellite tracking data - GEM-T1

A computation of a terrestrial gravitational field model called the Goddard Earth Model GEM-T1 is discussed and compared to previous models, including the GEM-L2. The software tools were redesigned for the model, allowing for the optimization of the technique of relative data weighting and model estimation used in GEM solutions. The GEM-T1 model provides a simultaneous solution for a gravity model in spherical harmonics complete to degree and order 36, a subset of 66 ocean tidal coefficients for the long-wavelength components of 12 major tides, and 5-day averaged earth rotation and polar motion parameters for the 1980 period on. GEM-T1 was derived from satellite tracking data acquired on 17 different satellites whose inclinations ranged from 15 degrees to polar. A simulation of the TOPEX/POSEIDON orbit using the covariances of the GEM-T1 model was made. Estimated radial error for the simulation was reduced to less than 30 cm rms.

Marsh, J. G.↗

Software Program: Software Management Guidebook

The purpose of this NASA Software Management Guidebook is twofold. First, this document defines the core products and activities required of NASA software projects. It defines life-cycle models and activity-related methods but acknowledges that no single life-cycle model is appropriate for all NASA software projects. It also acknowledges that the appropriate method for accomplishing a required activity depends on characteristics of the software project. Second, this guidebook provides specific guidance to software project managers and team leaders in selecting appropriate life cycles and methods to develop a tailored plan for a software engineering project.

Source record↗

Description of the GMAO OSSE for Weather Analysis Software Package: Version 3

The Global Modeling and Assimilation Office (GMAO) at the NASA Goddard Space Flight Center has developed software and products for conducting observing system simulation experiments (OSSEs) for weather analysis applications. Such applications include estimations of potential effects of new observing instruments or data assimilation techniques on improving weather analysis and forecasts. The GMAO software creates simulated observations from nature run (NR) data sets and adds simulated errors to those observations. The algorithms employed are much more sophisticated, adding a much greater degree of realism, compared with OSSE systems currently available elsewhere. The algorithms employed, software designs, and validation procedures are described in this document. Instructions for using the software are also provided.

OSSE↗

Network Reduction Algorithm for Developing Distribution Feeders for Real-Time Simulators: Preprint

As advanced grid-support functions (AGF) become more widely used in grid-connected photovoltaic (PV) inverters, utilities are increasingly interested in their impacts when implemented in the field. These effects can be understood by modeling feeders in real-time systems and testing PV inverters using power hardware-in-the-loop (PHIL) techniques. This paper presents a novel feeder model reduction algorithm using a Monte Carlo method that enables large feeders to be solved and operated on real-time computing platforms. Two Hawaiian Electric feeder models in Synergi Electric's load flow software were converted to reduced order models in OpenDSS, and subsequently implemented in the OPAL-RT real-time digital testing platform. Smart PV inverters were added to the real-time model with AGF responses modeled after characterizing commercially available hardware inverters. Finally, hardware inverters were tested in conjunction with the real-time model using PHIL techniques so that the effects of AGFs on the choice feeders could be analyzed.

14 SOLAR ENERGY↗

Irreducible Tests for Space Mission Sequencing Software

As missions extend further into space, the modeling and simulation of their every action and instruction becomes critical. The greater the distance between Earth and the spacecraft, the smaller the window for communication becomes. Therefore, through modeling and simulating the planned operations, the most efficient sequence of commands can be sent to the spacecraft. The Space Mission Sequencing Software is being developed as the next generation of sequencing software to ensure the most efficient communication to interplanetary and deep space mission spacecraft. Aside from efficiency, the software also checks to make sure that communication during a specified time is even possible, meaning that there is not a planet or moon preventing reception of a signal from Earth or that two opposing commands are being given simultaneously. In this way, the software not only models the proposed instructions to the spacecraft, but also validates the commands as well.To ensure that all spacecraft communications are sequenced properly, a timeline is used to structure the data. The created timelines are immutable and once data is as-signed to a timeline, it shall never be deleted nor renamed. This is to prevent the need for storing and filing the timelines for use by other programs. Several types of timelines can be created to accommodate different types of communications (activities, measurements, commands, states, events). Each of these timeline types requires specific parameters and all have options for additional parameters if needed. With so many combinations of parameters available, the robustness and stability of the software is a necessity. Therefore a baseline must be established to ensure the full functionality of the software and it is here where the irreducible tests come into use.

sequencing test↗

Position Papers for the ASCR Workshop on the Science of Scientific-Software Development and Use

Software is an increasingly important component in the pursuit of scientific discovery. Both its development and use are essential activities for many scientific teams. At the same time, very little scientific study has been conducted to understand, characterize, and improve the development and use of software for science. Computational science teams have diversified over time to include contributions from domain scientists who provide expertise in scientific and engineering disciplines, applied mathematicians and computer scientists who provide optimal algorithms and data structures, and software and data engineers who provide methodologies and tools adapted and adopted from other software domains. These diverse contributions have enabled tremendous advances in the pursuit of scientific discovery, even as models, computer architectures, and software environments have become more complicated. With this increasing diversity, we believe the next opportunity for qualitative improvement comes from applying the scientific method to understanding, characterizing, and improving how scientific software is developed and used. We believe that this pursuit requires expertise from computational scientists themselves, and from the cognitive and social sciences as well as the software engineering research community. As we look to increase the productivity and sustainability of the scientific-software-development-and-use cycle, a more systematic application of the scientific method to understand processes for software development and use will be a valuable tool to guide future work and result in more usable and sustainable software. This workshop will bring together computer scientists, software engineering researchers, computational scientists, applied mathematicians, social scientists, cognitive scientists, and others, to explore how we can conduct such systematic investigations, what can be learned, and how doing so will benefit the scientific enterprise. The workshop will be structured around a set of breakout sessions, with every attendee expected to participate actively in the discussions. Afterward, workshop attendees — from DOE, industry, and academia — will produce a report for ASCR that summarizes the findings of the workshop.

42 ENGINEERING↗

Preliminary Results on Process Modeling Tools for Determining Variability in Additively Manufactured Stainless Steel 316 Parts

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the distinct characteristics of additive manufacturing (AM) materials, stemming from their unique processing history, microstructure, and properties, pose significant challenges for the qualification and certification of nuclear components. These challenges primarily arise from component-scale variations in microstructure and properties influenced by local process conditions and geometry, which affect thermal history, melt pool dynamics, and microstructure evolution. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents preliminary results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Initial results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing the challenges inherent in process modeling of AM components and outlines a plan for future development needs.

36 MATERIALS SCIENCE↗

Assessment of Microstructure Prediction Capabilities for Powder Bed Fusion Stainless Steel 316

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the characteristic process-structure-property relationships of additive manufacturing (AM) materials pose challenges for the qualification and certification of AM nuclear components. In particular, component-scale variations in microstructure and properties can be driven by localized changes in melt pool dynamics due to how process parameters interact with different part geometries. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents final results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing identified challenges and future opportunities for connecting the developed simulation workflow with mechanics simulations for prediction of part performance.

36 MATERIALS SCIENCE↗

Aircraft Conceptual Design Using Vehicle Sketch Pad

Vehicle Sketch Pad (VSP) is a parametric geometry modeling tool that is intended for use in the conceptual design of aircraft. The intent of this software is to rapidly model aircraft configurations without expending the expertise and time that is typically required for modeling with traditional Computer Aided Design (CAD) packages. VSP accomplishes this by using parametrically defined components, such as a wing that is defined by span, area, sweep, taper ratio, thickness to cord, and so on. During this phase of frequent design builds, changes to the model can be rapidly visualized along with the internal volumetric layout. Using this geometry-based approach, parameters such as wetted areas and cord lengths can be easily extracted for rapid external performance analyses, such as a parasite drag buildup. At the completion of the conceptual design phase, VSP can export its geometry to higher fidelity tools. This geometry tool was developed by NASA and is freely available to U.S. companies and universities. It has become integral to conceptual design in the Aeronautics Systems Analysis Branch (ASAB) here at NASA Langley Research Center and is currently being used at over 100 universities, aerospace companies, and other government agencies. This paper focuses on the use of VSP in recent NASA conceptual design studies to facilitate geometry-centered design methodology. Such a process is shown to promote greater levels of creativity, more rapid assessment of critical design issues, and improved ability to quickly interact with higher order analyses. A number of VSP vehicle model examples are compared to CAD-based conceptual design, from a designer perspective; comparisons are also made of the time and expertise required to build the geometry representations as well.

Fredericks, William J.↗

sup3ruhi (Super Resolution for Renewable Resource Data and Urban Heat Islands) [SWR-25-05]

Urban heat is a growing concern, particularly in dense metropolitan areas where high temperatures increase the risk of heat-related illness and drive energy expenses for cooling. Estimating the effects of urban heat remains a challenge due to limitations in describing the built environment, computational constraints, and the need for high-resolution data. This software presents open-source, computationally efficient machine learning methods that enhance the accuracy of urban temperature estimates compared to historical reanalysis data. Models trained using this software have been applied to urban microclimates in Los Angeles and Seattle showing greater accuracy and less bias when compared to low-resolution reanalysis datasets like ERA5 and even when compared to high-resolution mesoscale numerical weather models like WRF with an urban canopy model. Initial findings highlight how machine learning can support urban heat resilience planning by enabling improved assessments of local heat islands, mitigation strategies, and their energy implications. This software is an extension of (sup3r). This software supports the following publication: Buster, Grant, et al. Tackling Extreme Urban Heat: A Machine Learning Approach to Assess the Impacts of Climate Change and the Efficacy of Climate Adaptation Strategies in Urban Microclimates. arXiv:2411.05952, arXiv, 8 Nov. 2024. arXiv.org, https://doi.org/10.48550/arXiv.2411.05952. And has related public data records available at: Buster, Grant, Cox, Jordan, Benton, Brandon, and King, Ryan. Super-Resolution for Renewable Resource Data and Urban Heat Islands (Sup3rUHI). United States: N.p., 16 Oct, 2024. Web. https://data.openei.org/submissions/6220.

Buster, Grant [National Renewable Energy Laborator↗

Software Reliability 2002

In FY01 we learned that hardware reliability models need substantial changes to account for differences in software, thus making software reliability measurements more effective, accurate, and easier to apply. These reliability models are generally based on familiar distributions or parametric methods. An obvious question is 'What new statistical and probability models can be developed using non-parametric and distribution-free methods instead of the traditional parametric method?" Two approaches to software reliability engineering appear somewhat promising. The first study, begin in FY01, is based in hardware reliability, a very well established science that has many aspects that can be applied to software. This research effort has investigated mathematical aspects of hardware reliability and has identified those applicable to software. Currently the research effort is applying and testing these approaches to software reliability measurement, These parametric models require much project data that may be difficult to apply and interpret. Projects at GSFC are often complex in both technology and schedules. Assessing and estimating reliability of the final system is extremely difficult when various subsystems are tested and completed long before others. Parametric and distribution free techniques may offer a new and accurate way of modeling failure time and other project data to provide earlier and more accurate estimates of system reliability.

Wallace, Dolores R.↗

CIME, Common Infrastructure for Modeling the Earth v. 5.0

CIME is the software infrastructure for configuring, building, running, and testing an Earth system model. It can be developed and tested as stand-alone software, but its main role is to be integrating into the CESM and ACME Earth system models.

Foucar, JamesG.↗

Dynamic Analysis of the Next Generation Molten-Salt Breeder Reactor System

The conceptual design of a 1000 MWe two-fluid molten-salt breeder reactor (MSBR) station was performed during 1966-1970 at Oak Ridge National Laboratory (ORNL) with the goal of using the U-233 fuel cycle. This modular design with four reactor modules has an electrical output of 250 MW/module. The abundance of Th-232 was attractive in converting it to U-233 in a thermal breeder reactor. The two-fluid reactor is graphite-moderated 'with a {sup 7}LiF-BeF{sub 2}-UF{sub 4} fuel salt circulated through the core and a {sup 7}LiF-ThF{sub 4}-BeF{sub 2} blanket salt circulated through separate flow channels distributed throughout the core, as well as in a surrounding under-moderated region'. This reactor design has the advantages of not producing Pu isotopes and easy chemical separation of U-233 in the blanket material. The low fuel cost and the graphite replacement cost are attractive for such a design, with an estimated cost of $141/kW at 1968-dollar value. Potential non-proliferation features of MSBR, the low costs of raw materials, and established chemical separation of fission products are important factors in further development of MSBRs as an alternative to current light water reactors. These reactors are often referred to as liquid fluoride thorium reactor (LFTR). The current research on the modeling of the MSBR is based on an earlier work on the preliminary dynamic model of the MSBR concept. Revisions are made to the original model. The physics parameters have been modified for the current modeling effort based on additional information including more recent values of model parameters from and several typographical misprints in equations and values. Details of this effort will be presented in a full follow-up paper. This work presents the detailed nodal models of reactor fluid core, blanket fluid loop, graphite moderator, fuel fluid heat exchanger, and the blanket fluid heat exchanger. A set of simulations has been performed to validate the model using the commercial software MATLAB{sup TM}-Simulink. Simulations were performed for the cases of source perturbation and reactivity perturbation. The model is inherently nonlinear. A description of the MSBR conceptual design, along with a tabulation of relevant system parameters, is presented. The results of simulation demonstrate stable behavior of the MSBR dynamics, temperature feedback effects, and load-following capability of the MSBR system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗